MonarchInit/C3PO huggingface dataset:
Compound: (2E,4E)-2,4-Dodecadienal
SMILES: O=C\C=C\C=C\CCCCCCC
Compound: (3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one
SMILES: O=C1C2C(C3C(C4C(C(CC4)C(C(O)C(O)C(C(C)C)CC)C)(CC3)C)C1)(CCC(O)C2)C
Compound: PE(18:4(6Z,9Z,12Z,15Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: MG(0:0/20:2(11Z,14Z)/0:0)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C(CO)CO
Compound: Annocherin A
SMILES: OC1(C2CC3(C(C4(C(CC3)C(CCC4)(COC(=O)C)C)C)CC2)C1)COC(=O)C
Compound: MG(20:2(11Z,14Z)/0:0/0:0)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](O)CO
Compound: (6b,7b,13R)-6,7-Diacetoxy-8,14-labdadiene-13-ol
SMILES: O(C1C2C(CCCC2(C)C)(C(=C(C1OC(=O)C)C)CCC(O)(C)C=C)C)C(=O)C
Compound: Panaxydol linoleate
SMILES: O1C(C1CC#CC#CC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C=C)CCCCCCC
Compound: Schidigeragenin B
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@](CC4)(C[C@@H](O)CC5)[H])C)(CC3=O)[H])[H])(C2)[H])C)([C@@H]([C@]16OCC(CC6)=C)C)[H])[H]
Compound: 4,6-Decadiyn-1-ol
SMILES: OCCCC#CC#CCCC
Compound: 25-Hydroxyvitamin D3-26,23-lactone
SMILES: O1[C@H](C[C@H]([C@@]2([C@@]3([C@@](CC2)(/C(/CCC3)=C/C=C/4\C[C@H](O)CCC4=C)[H])C)[H])C)C[C@@](O)(C1=O)C
Compound: 8-O-Methyloblongine
SMILES: O(C=1C=2C([N+](CCC2C=CC1OC)(C)C)CC3=CC=C(O)C=C3)C
Compound: L-isoleucine
SMILES: OC([C@H]([C@H](CC)C)N)=O
Compound: Erucoylacetone
SMILES: O=C(CCCCCCCCCCC/C=C\CCCCCCCC)CC(=O)C
Compound: 2-(trans-2-Pentenyl)cyclopentanone
SMILES: O=C1C(CCC1)C/C=C/CC
Compound: 3-(Acetyloxy)-2-hydroxypropyl icosanoate
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)CC(O)COC(=O)C
Compound: Dehydrolinalool
SMILES: OC(CCC=C(C)C)(C)C#C
Compound: Isocitral
SMILES: O=CC/C(=C/CC=C(C)C)/C
Compound: Flavidulol D
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C1=C2C(CC=C(CCC=C(C2)C)C)=C(OC)C=C1
Compound: 9,12,15-Octadecatrienoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: cis-2-Thujen-4-ol
SMILES: OC1(C2C(C2)(C(C)C)C=C1)C
Compound: Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran
SMILES: O1C(CCC1C(C)=C)(C)C=C
Compound: MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0)
SMILES: O(C(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C[C@@H](O)CO
Compound: 3,5-dibromo-4-hydroxybenzonitrile
SMILES: Oc1c(Br)cc(cc1Br)C#N
Compound: 2,6-Dimethyl-1,7-octadien-3-one
SMILES: O=C(CCC(C)C=C)C(C)=C
Compound: DG(15:0/0:0/18:4n3)
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Carvotanacetone
SMILES: O=C1C[C@@H](C(C)C)CC=C1C
Compound: DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: 3-Methyl-5-propyl-2-cyclohexen-1-one
SMILES: O=C1CC(CC(=C1)C)CCC
Compound: Auxin b
SMILES: OC(C=1C(CC(C(CC)C)C1)C(CC)C)CC(=O)CC(O)=O
Compound: p-Menth-3-en-9-al
SMILES: O=CC(C=1CCC(CC1)C)C
Compound: Lycopersiconolide
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(O)CC5)C)CC3)C2)C)C(O)(C1=O)C
Compound: (R)-p-Mentha-1,8-dien-10-ol
SMILES: OCC(C1CCC(=CC1)C)=C
Compound: 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
SMILES: O=C1C(C(=O)C(C(=O)C1(C)C)C(=O)CC)(C)C
Compound: Junionone
SMILES: O=C(\C=C\C1C(CC1)(C)C)C
Compound: Ganoderiol I
SMILES: O[C@@H]1[C@@]2([C@@]([C@](C1)([C@@H](CCC=C(CO)CO)C)[H])(CCC3=C2[C@H](OC)C[C@@]4([C@@]3(CCC(=O)C4(C)C)C)[H])C)C
Compound: xi-Pinol
SMILES: O1C(C2CC1C(=CC2)C)(C)C
Compound: 6-Pentyl-1,4-dioxan-2-one
SMILES: O1C(CCCCC)COCC1=O
Compound: Isocyclocitral
SMILES: O=CC1C(CC(=CC1C)C)C.O=CC1C(C(C=C(C1)C)C)C
Compound: Butyl levulinate
SMILES: O(CCCC)C(=O)CCC(=O)C
Compound: p-Mentha-1,8-dien-4-ol
SMILES: OC1(CCC(=CC1)C)C(C)=C
Compound: 5-Pentyl-1,4-dioxan-2-one
SMILES: O1C(CCCCC)COC(=O)C1
Compound: 3-Cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl-
SMILES: O=CC1(CCC(=C(C1)C)C)C
Compound: 4-Hydroperoxy-2-nonenal
SMILES: O(O)C(CCCCC)/C=C/C=O
Compound: Darwinol
SMILES: OCC=1[C@@]2(C([C@@](C2)(CC1)[H])(C)C)[H]
Compound: Butyl 3-hydroxy-2-methylidenebutanoate
SMILES: O(CCCC)C(=O)C(C(O)C)=C
Compound: cis-3-Hexenyl lactate
SMILES: O(CC/C=C\CC)C(=O)C(O)C
Compound: Hop ether
SMILES: O1C(C2C(C1)C(CC2)=C)(C)C
Compound: 2-Methylpropyl 3-hydroxy-2-methylidenebutanoate
SMILES: O(CC(C)C)C(=O)C(C(O)C)=C
Compound: Terpinolene oxide
SMILES: O1C2(C1(C)C)CCC(=CC2)C
Compound: 3-Methylbutyl 3-oxobutanoate
SMILES: O(CCC(C)C)C(=O)CC(=O)C
Compound: xi-p-Mentha-3,8-dien-1-ol
SMILES: OC1(CCC(=CC1)C(C)=C)C
Compound: MG(0:0/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C(CO)CO
Compound: Anethofuran
SMILES: O1[C@@]2([C@]([C@@H](C1)C)(CCC(=C2)C)[H])[H]
Compound: thiomorpholine-3-carboxylic acid
SMILES: OC(=O)C1CSCCN1
Compound: MG(24:1(15Z)/0:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](O)CO
Compound: p-Mentha-1(6),8-dien-3-ol
SMILES: OC1C(CC=C(C1)C)C(C)=C
Compound: Montecristin
SMILES: O[C@H](CCCCCCCCCCC1=C[C@@H](OC1=O)C)[C@H](O)CC/C=C\CC/C=C\CCCCCCCCCCCC
Compound: 4-Acetyl-1,4-dimethyl-1-cyclohexene
SMILES: O=C(C1(CCC(=CC1)C)C)C
Compound: 11b,17a,21-Trihydroxypreg-nenolone
SMILES: O[C@]1(C2(C(C3C(C4(C(=CC3)CC(O)CC4)C)C(O)C2)CC1)C)C(=O)CO
Compound: (1S,4R)-p-Mentha-2,8-dien-1-ol
SMILES: O[C@]1(CC[C@H](C=C1)C(C)=C)C
Compound: 3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al
SMILES: O[C@@H]1[C@]2([C@]([C@]3(C(C1)(C(CC3)C(=O)CO)C=O)[H])(CC[C@]4([C@@]2(CC[C@@H](O)C4)C)[H])[H])[H]
Compound: DG(18:3(9Z,12Z,15Z)/15:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CO
Compound: (S)-9,10-Cyclo-p-menth-1-en-4-ol
SMILES: OC1(C2CC2)CCC(=CC1)C
Compound: DG(15:0/18:3(9Z,12Z,15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CO
Compound: L-asparagine
SMILES: N[C@@H](CC(N)=O)C(O)=O
Compound: 3,4-Epoxy-p-menth-1(7)-ene
SMILES: O1C2(C1CC(CC2)=C)C(C)C
Compound: DG(15:0/0:0/18:3n3)
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: Teresantalol
SMILES: OCC1(C2(C3C2CC1C3)C)C
Compound: 3-Pinanone
SMILES: O=C1C(C2C(C(C2)C1)(C)C)C
Compound: 6-Methyl-2-methylene-6-octene-1,3,8-triol
SMILES: OC(CC/C(/C)=C/CO)C(CO)=C
Compound: 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate
SMILES: O(CCC(C)C)C(=O)C(C(O)C)=C
Compound: 2-hexylfuran
SMILES: CCCCCCC1=CC=CO1
Compound: 2-Methylbutyl 3-hydroxy-2-methylidenebutanoate
SMILES: O(CC(CC)C)C(=O)C(C(O)C)=C
Compound: alpha-Cyclocitral
SMILES: O=CC1C(CCC=C1C)(C)C
Compound: Ethyl (3R,5Z)-3-hydroxy-5-octenoate
SMILES: OC(C/C=C\CC)CC(OCC)=O
Compound: (-)-Pinocamphone
SMILES: O=C1[C@@H]([C@]2(C([C@](C2)(C1)[H])(C)C)[H])C
Compound: 5-Hexyl-1,4-dioxan-2-one
SMILES: O1C(CCCCCC)COC(=O)C1
Compound: (2S,4R)-p-Mentha-1(7),8-dien-2-ol
SMILES: OC1CC(CCC1=C)C(C)=C
Compound: (1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol
SMILES: O1C2(C(O)CC(O)(C1(C)C)CC2)C
Compound: 6,8-Epoxy-p-menth-2-ene
SMILES: O1C(C2CC1C(C=C2)C)(C)C
Compound: (1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol
SMILES: O1C2(C(O)CC(C1(C)C)C(O)C2)C
Compound: Photocitral A
SMILES: O=CC1C(CCC1C(C)=C)C
Compound: 3-Hydroxy-5Z-octenyl acetate
SMILES: OC(CCOC(=O)C)C/C=C\CC
Compound: (1R,4R)-p-Mentha-2,8-dien-1-ol
SMILES: O[C@@]1(CC[C@H](C=C1)C(C)=C)C
Compound: 6-Hexyl-1,4-dioxan-2-one
SMILES: O1C(CCCCCC)COCC1=O
Compound: Marmelo oxide A
SMILES: O1[C@H](C[C@H](C1)C)/C=C/C(C)=C
Compound: 3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane
SMILES: OC1C2C3[C@@](C(CC3)[C@@H](CCCC(CO)C)C)(CCC2[C@@]4(C(C1)C[C@H](O)CC4)C)C
Compound: xi-p-Mentha-1(7),2-dien-4-ol
SMILES: OC1(C(C)C)CCC(C=C1)=C
Compound: 3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al
SMILES: OC1C2C3(C(C(CC3)C(C/C=C/C(OC)(C)C)C)(CCC2(C4C(=C1)C(C(O)CC4)(C)C)C=O)C)C
Compound: (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol
SMILES: OC\C(=C\CCC(C=C)=C)\C
Compound: (2S,4R)-p-Mentha-1(7),5-dien-2-ol
SMILES: OC1CC(C(C)C)C=CC1=C
Compound: Ceanothine C
SMILES: O1C(C(NC(=O)C2N(CCC2)C)C(=O)NC(CC(C)C)C(=O)NC=CC3=CC=C1C=C3)C(C)C
Compound: (-)-Isopinocamphone
SMILES: O=C1[C@H]([C@]2(C([C@](C2)(C1)[H])(C)C)[H])C
Compound: Heterophyllin
SMILES: O1C(C=CC=2C1=C(C=3OC(=C(C(=O)C3C2O)CC=C(C)C)C=4C(O)=CC(O)=C(O)C4)CC=C(C)C)(C)C
Compound: PE(MonoMe(11,5)/DiMe(11,5))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC=1OC(=C(C1C)C)CCCCC)COC(=O)CCCCCCCCCCC=2OC(CCCCC)=CC2C)(OCCN)(O)=O
Compound: 4,5-dihydroxyphthalic acid
SMILES: OC(=O)c1cc(O)c(O)cc1C(O)=O
Compound: Cholestane-3,7,12,25-tetrol
SMILES: OC1C2(C(C3C(C4(C(CC3O)CC(O)CC4)C)C1)CCC2C(CCCC(O)(C)C)C)C
Compound: PE(DiMe(11,5)/MonoMe(11,5))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC=1OC(CCCCC)=CC1C)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(OCCN)(O)=O
Compound: 5b-Cholestane-3a,7a,12a,25-tetrol
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CCC2[C@@H](CCCC(O)(C)C)C)[H])C
Compound: DG(16:0/0:0/18:3n3)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: 2-(5,8-Tetradecadienyl)cyclobutanone
SMILES: O=C1C(CC1)CCCC/C=C/C\C=C\CCCCC
Compound: Ganoderiol G
SMILES: O(C1C=2C3(C(C(CC3)C(CCC(O)C(O)(CO)C)C)(CCC2C4(C(C1)C(C(=O)CC4)(C)C)C)C)C)C
Compound: 1-Phenyl-2-pentanol
SMILES: OC(CCC)CC1=CC=CC=C1
Compound: 2-Butyl-4-methylphenol
SMILES: OC1=C(CCCC)C=C(C=C1)C
Compound: DG(18:1n7/0:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](O)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: DG(18:1n9/0:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H]([C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Compound: UDP-alpha-D-glucuronic acid
SMILES: O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Compound: Methyl 2E,4Z-hexadecadienoate
SMILES: O(C(=O)/C=C/C=C\CCCCCCCCCCC)C
Compound: DG(18:1n7/0:0/18:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCCC
Compound: N2-Fructopyranosylarginine
SMILES: O1C(O)(C(O)C(O)C(O)C1)CNC(CCCN=C(N)N)C(O)=O
Compound: 3-Methyl-1-phenyl-3-pentanol
SMILES: OC(CCC1=CC=CC=C1)(CC)C
Compound: Ginsenoside Rh3
SMILES: O[C@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CC4)(C)C)[H])C)(C1)[H])C)(CC[C@@H]2/C(/C)=C\CC=C(C)C)C)[H]
Compound: (3xi,5Z)-1,5-Octadien-3-ol
SMILES: OC(C/C=C/CC)C=C
Compound: (S)-3-Methylthiohexyl butyrate
SMILES: S(C(CCC)CCOC(=O)CCC)C
Compound: 5-Octen-2-one
SMILES: O=C(CC/C=C\CC)C
Compound: (S)-3-Mercaptohexyl pentanoate
SMILES: SC(CCC)CCOC(=O)CCCC
Compound: Mangiferonic acid
SMILES: O=C1C([C@]2([C@@]3([C@@]4(C3)[C@]([C@]5([C@](CC4)([C@](CC5)([C@@H](CC/C=C(\C)/C(O)=O)C)[H])C)C)(CC2)[H])CC1)[H])(C)C
Compound: glycylglycine
SMILES: NCC(=O)NCC(O)=O
Compound: (3E,5Z)-3,5-Octadien-1-ol
SMILES: OCC/C=C/C=C/CC
Compound: Ursonic acid
SMILES: O=C1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@H]([C@@H]5C)C)C(O)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C
Compound: (S,E)-Filbertone
SMILES: O=C(C(CC)C)/C=C\C
Compound: Tomentosolic acid
SMILES: OC1C(C2C(C3C(C4(C(C5C(CC4)(CCC(=C5C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C
Compound: 2,4,4-Trimethylcyclopentanone
SMILES: O=C1C(CC(C1)(C)C)C
Compound: Epoxyganoderiol B
SMILES: O1C(CCC(C2C3(C(CC2)(C=4C(C5(C(C(C(=O)CC5)(C)C)CC4)C)=CC3)C)C)C)C1(CO)C
Compound: 2,5-Octadien-1-ol
SMILES: OC\C=C\C/C=C/CC
Compound: Bryononic acid
SMILES: O[C@@H]1C([C@]2([C@@](C3=C([C@@]4([C@]([C@]5([C@@](CC4)(CC[C@@](C5)(C)C(O)=O)C)[H])(CC3)C)C)CC2)(CC1)C)[H])(C)C
Compound: 2-Octen-4-one
SMILES: O=C(CCCC)/C=C/C
Compound: Katononic acid
SMILES: O=C1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@@](C5)(C)C(O)=O)C)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C
Compound: IMP
SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O
Compound: 2-Ethylidenehexanal
SMILES: O=C\C(\CCCC)=C\C
Compound: Desoxoglabrolide
SMILES: O1C2C3(C(C=4C(C5(C(C6(C(CC5)C(C(O)CC6)(C)C)C)CC4)C)(CC3)C)CC(C2)(C1=O)C)C
Compound: 5-Methyl-5-hepten-2-one
SMILES: O=C(CC/C(/C)=C\C)C
Compound: Masticadienonic acid
SMILES: O=C1C(C2C(C3C(C4(C(C(CC4)C(CC/C=C(\C)/C(O)=O)C)(CC3)C)C)=CC2)(CC1)C)(C)C
Compound: 6-Methyl-3-hepten-2-one, trans-
SMILES: O=C(\C=C\CC(C)C)C
Compound: beta-Elemonic acid
SMILES: O=C1C([C@@]2([C@@](C3=C([C@@]4([C@]([C@](CC4)([C@H](CCC=C(C)C)C(O)=O)[H])(CC3)C)C)CC2)(CC1)C)[H])(C)C
Compound: 4-Octen-3-one
SMILES: O=C(CC)\C=C\CCC
Compound: Isomasticadienonic acid
SMILES: O=C1C(C2C(C3=C(C4(C(C(CC4)C(CC/C=C(\C)/C(O)=O)C)(CC3)C)C)CC2)(CC1)C)(C)C
Compound: 3-Methyl-3-hepten-2-one
SMILES: O=C(\C(=C\CCC)\C)C
Compound: Glypallidifloric acid
SMILES: O[C@@H]1C(C2[C@@](C3[C@]([C@]4(C(=C5[C@@](CC4)(CC[C@](C5)(C)C(O)=O)C)C=C3)C)(CC2)C)(CC1)C)(C)C
Compound: L-proline
SMILES: OC(=O)[C@@H]1CCCN1
Compound: (3'x,5'a,9'x,10'b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone
SMILES: O=C1C2C(CCCC2(C)C)(C(C(=C1)C)COC3=CC=4OC(=O)C=CC4C=C3)C
Compound: 3beta-3-Hydroxy-11-oxolanosta-8,24-dien-26-al
SMILES: OC1C(C2C(C3=C(C4(C(C(CC4)C(CC/C=C(/C)\C=O)C)(CC3=O)C)C)CC2)(CC1)C)(C)C
Compound: Conferone
SMILES: O=C1C(C2C(C(C(=CC2)C)COC3=CC=4OC(=O)C=CC4C=C3)(CC1)C)(C)C
Compound: Ganoderal B
SMILES: OC1C=2C3(C(C(CC3)C(CC/C=C(\C)/C=O)C)(CCC2C4(C(C1)C(C(=O)CC4)(C)C)C)C)C
Compound: Ganoderiol F
SMILES: O=C1C([C@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CCC=C(CO)CO)C)[H])(CC3)C)C)=CC2)(CC1)C)[H])(C)C
Compound: Ganoderic acid Y
SMILES: O[C@@H]1C([C@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CC/C=C(\C)/C(O)=O)C)[H])(CC3)C)C)=CC2)(CC1)C)[H])(C)C
Compound: 3-Epiarmefolin
SMILES: O1C2C=3C(CCC2C(C1=O)=C)(C(O)CC(O)C3C)C
Compound: Fenchyl acetate
SMILES: O(C1C2(CC(C1(C)C)CC2)C)C(=O)C
Compound: 4-Hydroxy-alprenolol
SMILES: O(CC(O)CNC(C)C)C1=C(CC=C)C=C(O)C=C1
Compound: p-Menth-1-en-9-ol acetate
SMILES: O(CC(C1CCC(=CC1)C)C)C(=O)C
Compound: 4,5-dioxopentanoic acid
SMILES: [H]C(=O)C(=O)CCC(O)=O
Compound: cis-3-Hexenyl 2-methylbutanoate
SMILES: O(C(=O)C(CC)C)CC/C=C\CC
Compound: Methyl 2-undecynoate
SMILES: O(C(=O)C#CCCCCCCCC)C
Compound: cis-3-Octenyl propionate
SMILES: O(CC/C=C\CCCC)C(=O)CC
Compound: cis-3-Hexenyl trans-4-hexenoate
SMILES: O(CC/C=C\CC)C(=O)CC/C=C/C
Compound: trans-2-Hexenyl 2-methylbutyrate
SMILES: O(C(=O)C(CC)C)C\C=C\CCC
Compound: Dihydro-5-(2-octenyl)-2(3H)-furanone
SMILES: O1C(CCC1=O)C/C=C/CCCCC
Compound: Prenyl caproate
SMILES: O(C(=O)CCCCC)CC=C(C)C
Compound: (3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone
SMILES: O1C(C2C(CCCC2)C1=O)CCCC
Compound: Pent-2-enyl hexanoate
SMILES: O(C(=O)CCCCC)C/C=C\CC
Compound: cis-3-Hexenyl trans-2-hexenoate
SMILES: O(CC/C=C\CC)C(=O)\C=C\CCC
Compound: 2-oxohept-3-enedioate
SMILES: [H]C(CCC([O-])=O)=C([H])C(=O)C([O-])=O
Compound: Ethyl (E)-2-nonenoate
SMILES: O(C(=O)/C=C\CCCCCC)CC
Compound: 6-Heptyl-5,6-dihydro-2H-pyran-2-one
SMILES: O1C(CCCCCCC)CC=CC1=O
Compound: (2E)-2-hexenyl isovalerate
SMILES: CCC\C=C\COC(=O)CC(C)C
Compound: (Z)-4-Hydroxy-6-dodecenoic acid lactone
SMILES: O1C(CCC1=O)C/C=C\CCCCC
Compound: 2-Hexenyl valerate
SMILES: O(C(=O)CCCC)C\C=C\CCC
Compound: Dihydrocarveol acetate
SMILES: O(C1C(CCC(C1)C(C)=C)C)C(=O)C
Compound: 5-Octenyl propanoate
SMILES: O(CCCC/C=C\CC)C(=O)CC
Compound: Yuzu lactone
SMILES: O1C(=O)CCCCCCCC=CCC1
Compound: 2-Propenyl octanoate
SMILES: O(C(=O)CCCCCCC)CC=C
Compound: Artemisia alcohol acetate
SMILES: O(C(C(C)(C)C=C)C=C(C)C)C(=O)C
Compound: 9,11alpha-epoxypregn-4-ene-3,20-dione
SMILES: [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Compound: cis-3-hexenyl isovalerate
SMILES: CC\C=C/CCOC(=O)CC(C)C
Compound: (S)-Santolina acetate
SMILES: O(C(C(C=C(C)C)C=C)(C)C)C(=O)C
Compound: Methyl citronellate
SMILES: O(C(=O)CC(CCC=C(C)C)C)C
Compound: Isopulegol acetate
SMILES: O([C@H]1[C@@H](CC[C@H](C1)C)C(C)=C)C(=O)C
Compound: 3-hydroxyundecanoic acid
SMILES: OC(CCCCCCCC)CC(O)=O
Compound: alpha-Campholene acetate
SMILES: O(CCC1C(C(=CC1)C)(C)C)C(=O)C
Compound: cis-3-Hexenyl pentanoate
SMILES: O(C(=O)CCCC)CC/C=C\CC
Compound: Cepagenin
SMILES: O1C2C(C3(C(C4C(CC3)C5(C(=CC4)CC(O)CC5O)C)C2)C)C(C16OCC(C(O)C6)C)C
Compound: (x)-1-Nonen-3-yl acetate
SMILES: O(C(CCCCCC)C=C)C(=O)C
Compound: Dieporeticenin
SMILES: O1C(C1CCCCCCCCCCCCC2=CC(OC2=O)C)CCC3OC3CC/C=C/CCCCCCCCCC
Compound: 2-methylideneglutaric acid
SMILES: OC(=O)CCC(=C)C(O)=O
Compound: 3-Hexenyl 2-methylbutyrate
SMILES: O(C(=O)C(CC)C)CCC=CCC
Compound: Monomethyl phenylphosphonate
SMILES: P(OC)(O)(=O)C1=CC=CC=C1
Compound: (E)-3-Heptenyl 2-methylpropanoate
SMILES: O(CC/C=C/CCC)C(=O)C(C)C
Compound: (1R,2R,3S,1'R)-Nepetalinic acid
SMILES: OC(=O)C1C(CCC1C)C(C)C(O)=O
Compound: 6-Methyl-5-hepten-2-one propyleneglycol acetal
SMILES: O1C(OCC1C)(CCC=C(C)C)C
Compound: cis-5-Decenedioic acid
SMILES: OC(=O)CCC/C=C\CCCC(O)=O
Compound: Rhodinyl formate
SMILES: O(CCC(CCCC(C)=C)C)C=O
Compound: 5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid
SMILES: O1C(CC(C1=O)C(O)=O)CCCCC
Compound: Methyl 2-decenoate
SMILES: O(C(=O)\C=C\CCCCCCC)C
Compound: Matsutakic acid A
SMILES: OC(C(O)C(O)=O)C#CCCCCC
Compound: S-Japonin
SMILES: S(/C=C\C(O[C@H]1C[C@]2([C@@]([C@H](C1)C)(CC(C(=O)C2)=C(C)C)C)[H])=O)C
Compound: Hydralazine acetone hydrazone
SMILES: N(N=C(C)C)C1=NN=CC=2C1=CC=CC2
Compound: (S)-14-Methylhexadecanoic acid
SMILES: OC(=O)CCCCCCCCCCCC[C@H](CC)C
Compound: (?)-Camphoric acid
SMILES: OC(=O)[C@]1(C([C@H](CC1)C(O)=O)(C)C)C
Compound: (9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid
SMILES: O[C@H]([C@@H](O)C/C=C/CCCCC)C(=O)CCCCCCC(O)=O
Compound: alpha-Carboxy-delta-nonalactone
SMILES: O1C(CCC(C1=O)C(O)=O)CCCC
Compound: Umbelliprenin
SMILES: O(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)C1=CC=2OC(=O)C=CC2C=C1
Compound: (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
SMILES: O1/C(/C=2C(C1=O)=CC=CC2)=C/C(C)C
Compound: Hexyl nonanoate
SMILES: O(CCCCCC)C(=O)CCCCCCCC
Compound: 4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin
SMILES: S1SSCC=C(CCC=C(C)C)C1
Compound: dihydrosanguinarine
SMILES: CN1Cc2c3OCOc3ccc2-c2ccc3cc4OCOc4cc3c12
Compound: 3-Methylbutyl decanoate
SMILES: O(CCC(C)C)C(=O)CCCCCCCCC
Compound: Austalide L
SMILES: O1[C@@]2([C@@]([C@@]3([C@](O)(C(C(=O)CC3)(C)C)CC2)C)(CC4=C1C(=C5C(=C4OC)C(OC5)=O)C)[H])C
Compound: Pentyl decanoate
SMILES: O(C(=O)CCCCCCCCC)CCCCC
Compound: 17-Desacetyl-rocuronium
SMILES: [Br-].O[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C[C@H](O)[C@@H](N5CCOCC5)C4)[H])C)(CC2)[H])[H])(C[C@@]1([N+]6(CCCC6)CC=C)[H])[H])C
Compound: Dodecyl propionate
SMILES: O(CCCCCCCCCCCC)C(=O)CC
Compound: 2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate
SMILES: O(C1C(CCC(C1)C)C(C)C)C(OCC(O)C)=O
Compound: 7(14)-Farnesene-9,12-diol
SMILES: OC(CC(CO)C)CC(CCCC(CC)C)=C
Compound: 1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate
SMILES: O(C1C(CCC(C1)C)C(C)C)C(OC(CO)C)=O
Compound: Heptyl octanoate
SMILES: O(CCCCCCC)C(=O)CCCCCCC
Compound: Diethyl decanedioate
SMILES: O(C(=O)CCCCCCCCC(OCC)=O)CC
Compound: (S)-4-hydroxymandelate
SMILES: O[C@H](C([O-])=O)c1ccc(O)cc1
Compound: Octyl heptanoate
SMILES: O(CCCCCCCC)C(=O)CCCCCC
Compound: (E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne
SMILES: C(=C\C=C)/C=C/C#CC#C\C=C\C
Compound: Ethyl tridecanoate
SMILES: O(C(=O)CCCCCCCCCCCC)CC
Compound: 2,4,6,8-Tridecatetrayne
SMILES: C(CC)CC#CC#CC#CC#CC
Compound: Antibiotic X 14889C
SMILES: O1C(O)(C2(OC(C(C2)C)C(C(=O)C(C(O)C(C3OC(O)(C(CC3C)C)CC(O)=O)C)C)CC)C)C(CC1(C(O)C)CC)C
Compound: 2,4,6-Triethyl-1,3,5-trioxane
SMILES: O1C(OC(OC1CC)CC)CC
Compound: Porson
SMILES: OC1CC2=CC(C=3C=C(CCCCC1=O)C(OC)=C(OC)C3OC)=C(O)C=C2
Compound: Furfuryl 2-methyl-3-furyl disulfide
SMILES: S(SCC=1OC=CC1)C2=C(OC=C2)C
Compound: Perilloside C
SMILES: O(CC1CCC(CC1)C(C)=C)C2OC(C(O)C(O)C2O)CO
Compound: bis(2-methyl-3-furyl)disulfide
SMILES: CC1=C(SSC2=C(C)OC=C2)C=CO1
Compound: geranyl diphosphate
SMILES: CC(C)=CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O
Compound: 5-Oxooctadecanoic acid
SMILES: O=C(CCCCCCCCCCCCC)CCCC(O)=O
Compound: MG(0:0/15:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)C(CO)CO
Compound: 11-Oxooctadecanoic acid
SMILES: O=C(CCCCCCCCCC(O)=O)CCCCCCC
Compound: MG(15:0/0:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@@H](O)CO
Compound: 9-Oxooctadecanoic acid
SMILES: O=C(CCCCCCCCC)CCCCCCCC(O)=O
Compound: Kinetensin 4-7
SMILES: O=C(N1[C@H](CCC1)C(=O)N[C@H](CC2=CC=C(O)C=C2)C(O)=O)[C@@H](NC(=O)[C@H](N)CCCN=C(N)N)CC=3NC=NC3
Compound: 10-Oxooctadecanoic acid
SMILES: O=C(CCCCCCCCC(O)=O)CCCCCCCC
Compound: DG(15:0/0:0/20:4n6)
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(20:4(5Z,8Z,11Z,14Z)/15:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: Ganoderic acid Ma
SMILES: OC1C2(C(C(C1)C(CC/C=C(/C)\C(O)=O)C)(CCC=3C4(C(C(C(OC(=O)C)CC4)(C)C)CC(OC(=O)C)C23)C)C)C
Compound: 1,2-dihydroxydibenzothiophene
SMILES: Oc1ccc2sc3ccccc3c2c1O
Compound: Asperagenin
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@]([C@@H](O)C4)(C[C@@H](O)CC5)[H])C)(CC3)[H])[H])(C2)[H])C)([C@@H]([C@]16OC[C@](O)(CC6)C)C)[H])[H]
Compound: (S)-5'-Deoxy-5'-(methylsulfinyl)adenosine
SMILES: S(=O)(CC1OC(N2C3=NC=NC(N)=C3N=C2)C(O)C1O)C
Compound: 21-Hydroxy-5b-pregnane-3,11,20-trione
SMILES: O=C1[C@]2([C@]([C@]3([C@@](C(CC3)C(=O)CO)(C1)C)[H])(CC[C@]4([C@@]2(CCC(=O)C4)C)[H])[H])[H]
Compound: Cholestane-3,7,12,24,25-pentol
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CC[C@H](O)C(O)(C)C)C)[H])[H])C
Compound: 5b-Cholestane-3a,7a,12a,25,26-pentol
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCCC(O)(CO)C)C)[H])[H])C
Compound: 5a-Cholestane-3a,7a,12a,23,25-pentol
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](C[C@H](O)CC(O)(C)C)C)[H])[H])C
Compound: 5b-Cholestane-3a,7a,12a,24,25-pentol
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4(C(C[C@H]3O)C[C@H](O)CC4)C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)C(O)(C)C)C)[H])[H])C
Compound: 5b-Cholestane-3a,7a,12a,23R,25-pentol
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](C[C@@H](O)CC(O)(C)C)C)[H])[H])C
Compound: Lactapiperanol D
SMILES: O1[C@@H](OC)[C@]23[C@](C2)([C@@]4([C@]([C@H](OC(=O)C)[C@@]3(O)C1)(CC(C4)(C)C)[H])[H])C
Compound: Momordicin II
SMILES: OC1C2C3(C(C(CC3)C(CC(OC4OC(C(O)C(O)C4O)CO)C=C(C)C)C)(CCC2(C5C(=C1)C(C(O)CC5)(C)C)C=O)C)C
Compound: D-lysopine
SMILES: C[C@@H](N[C@@H](CCCCN)C(O)=O)C(O)=O
Compound: Asterosterol
SMILES: OC1CC2C(C3C(C4C(C(CC4)C(C)/C=C\C(C)C)(CC3)C)=CC2)(CC1)C
Compound: (3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol
SMILES: OC1CC=2C(C3C(C4C(C(CC4)C(C)/C=C\C(C)C)(CC3)C)CC2)(CC1)C
Compound: trans-3-Feruloylcorosolic acid
SMILES: O(C1CC2(C3C(C4(C(C5C(CC4)(CCC(C5C)C)C(O)=O)=CC3)C)(CCC2C(C1O)(C)C)C)C)C(=O)/C=C/C6=CC(OC)=C(O)C=C6
Compound: Mactraxanthin
SMILES: O[C@@]1(C(C[C@H](O)C[C@]1(O)C)(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/[C@@]2(O)C(C[C@H](O)C[C@]2(O)C)(C)C)\C)\C
Compound: 27-Norcholestanehexol
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)C(O)CO)C)[H])[H])C
Compound: zeta-Carotene epoxide
SMILES: O1C(C1CC/C(/C)=C\CC\C(\C)=C/C=C/C(/C)=C/C=C/C=C(/C=C\C=C(\CC/C=C(\CCC=C(C)C)/C)/C)\C)(C)C
Compound: Caffeoylcycloartenol
SMILES: O(C1C(C2C3(C4(C3)C(C5(C(CC4)(C(CC5)C(CCC=C(C)C)C)C)C)CC2)CC1)(C)C)C(=O)/C=C/C6=CC(O)=C(O)C=C6
Compound: Asiminenin A
SMILES: O1[C@](CC[C@H]1C(O)CC/C=C/CCCCCCCCCC)([C@H](O)CCCCCCCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)[H]
Compound: N(6)-(Octanoyl)lysine
SMILES: O=C(NCCCCC(N)C(O)=O)CCCCCCC
Compound: 2-Methoxybenzaldehyde
SMILES: O(C=1C(=CC=CC1)C=O)C
Compound: (2S)-2-isopropyl-3-oxosuccinate(2-)
SMILES: CC(C)[C@H](C([O-])=O)C(=O)C([O-])=O
Compound: Acetylbalchanolide
SMILES: O1[C@]2([C@]([C@@H](C1=O)C)([C@@H](OC(=O)C)CC(=CCCC(=C2)C)C)[H])[H]
Compound: 6-Hydroxyshogaol
SMILES: OC(CCCC)/C=C/C(=O)CCC1=CC(OC)=C(O)C=C1
Compound: Acetylvalerenolic acid
SMILES: O(C1C2C(CCC(C2=C(C1)C)/C=C(\C)/C(O)=O)C)C(=O)C
Compound: 9-Acetoxyfukinanolide
SMILES: O([C@@H]1[C@@]2([C@](C[C@@]13C(COC3=O)=C)([C@H](CCC2)C)C)[H])C(=O)C
Compound: Ethyl pentadecanoate
SMILES: O(C(=O)CCCCCCCCCCCCCC)CC
Compound: 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one
SMILES: O=C(\C=C\C1C(CCC=C1C)(C)C)CC
Compound: Methyl-delta-ionone
SMILES: O=C(\C=C\C1C(CC=CC1C)(C)C)CC
Compound: Lansimide 3
SMILES: O(C(C1N(C(=O)C(O)C1C2=CC=CC=C2)C)C3=CC=CC=C3)C
Compound: Secodemethylclausenamide
SMILES: OC(C(O)C(=O)NCCC1=CC=CC=C1)C2=CC=CC=C2
Compound: TG(18:1(9Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: methyl L-tyrosinate
SMILES: C=1(C[C@@H](C(OC)=O)N)C=CC(O)=CC1
Compound: TG(22:1(13Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:0/20:3n6/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:2(13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:3(9Z,12Z,15Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/20:3n6/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: oxidized Cypridina luciferin
SMILES: CC[C@H](C)C(=O)Nc1ncc(nc1CCCNC(N)=N)-c1c[nH]c2ccccc12
Compound: TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(22:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: 2-butenoic acid
SMILES: [H]C(C)=CC(O)=O
Compound: TG(22:2(13Z,16Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:1(13Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(22:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(24:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(9Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(22:1(13Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:2(13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: limonene-1,2-diol
SMILES: CC(=C)C1CCC(C)(O)C(O)C1
Compound: TG(14:1(9Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:2(13Z,16Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(18:3(9Z,12Z,15Z)/24:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:3(5Z,8Z,11Z)/20:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:4(7Z,10Z,13Z,16Z)/20:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(22:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(24:1(15Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: beta-myrcene
SMILES: CC(C)=CCCC(=C)C=C
Compound: TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C(COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:3(5Z,8Z,11Z)/20:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(16:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/20:3n6/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:1(11Z)/20:3n6/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(9Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:0/20:3n6/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(O)(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Compound: TG(18:1(11Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(18:3(9Z,12Z,15Z)/22:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:3(5Z,8Z,11Z)/22:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(16:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(20:3n6/22:1(13Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(24:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:4(5Z,8Z,11Z,14Z)/22:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(22:2(13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: 4-methylumbelliferone
SMILES: C1=2OC(=O)C=C(C1=CC=C(C2)O)C
Compound: TG(18:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:3n6/20:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: salutaridine
SMILES: COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O
Compound: TG(22:2(13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:1(9Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC
Compound: TG(20:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(24:1(15Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:3n6/22:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:3n6/20:1(11Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C(COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: rosmarinic acid
SMILES: OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Compound: TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(20:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:1(13Z)/20:3n6/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(22:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(24:1(15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:1(9Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C(COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(24:1(15Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(18:1(11Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:1(9Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:3(6Z,9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: taurocyamine
SMILES: C(S(=O)(O)=O)CNC(=N)N
Compound: TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(20:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:3(6Z,9Z,12Z)/22:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:2(13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(20:3(5Z,8Z,11Z)/18:0/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(16:1(9Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC