MonarchInit/C3PO huggingface dataset:
Compound: PI(15:1(9Z)/17:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(O)=O
Compound: 6-({2-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,5,6-trihydroxyoxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O(C1C(O)C(O)C(OC1OCC2OC(O)C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C)C4OC(C(O)C(O)C4O)C
Compound: Isomycomycin
SMILES: OC(=O)C/C=C/C=C\C#CC#CC#CC
Compound: 3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid
SMILES: O1C(C(O)C(C=2C=3OC(C(O)CC3C(O)=CC2O)C4=CC(O)=CC=C4)C5=C1C=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=C5)C7=CC(O)=CC=C7
Compound: TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCC/C=C\C/C=C\C/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: 26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D3
SMILES: OC(CCCC(C1[C@@]2([C@@](CC1)(C(CCC2)=CC=C3CC(O)CCC3=C)C)C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
Compound: TG(15:0/20:1(11Z)/22:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC
Compound: (2E,4Z)-2-hydroxy-6-oxoocta-2,4,7-trienoate
SMILES: O\C(=C\C=C/C(=O)C=C)C([O-])=O
Compound: 6-Hydroxysandoricin
SMILES: O1C23C(C(OC(=O)C)CC(C4(C1CC(OC(=O)C)C(C4C(O)C(OC)=O)(C)C)C)C2=C)(C(OC(=O)C3O)C=5C=COC5)C
Compound: 6-{4-[7-({6-carboxy-3-[(6-carboxy-4,5-dihydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O(C1C(O)C(O)C(OC1OC=2C=C3OC(C4=CC(O)=C(OC5OC(C(O)C(O)C5O)C(O)=O)C=C4)=CC(=O)C3=C(O)C2)C(O)=O)C6OC(C(O)C(O)C6OC(=O)C=CC7=CC(OC)=C(O)C=C7)C(O)=O
Compound: Gossypetin 3,7,8,4'-tetramethyl ether
SMILES: O1C2=C(C(=O)C(OC)=C1C3=CC(O)=C(OC)C=C3)C(O)=CC(OC)=C2OC
Compound: Medicoside F
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(CO)C)C7OCC(O)C(O)C7OC8OC(C(O)C(O)C8O)CO
Compound: (2R)-2-Hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (13Z)-docos-13-enoate
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: 3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid
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(C)C(O)=O)C)[H])[H])C
Compound: DG(22:1(13Z)/22:2(13Z,16Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)CO
Compound: 7-oxatyphasterol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C
Compound: Apometzgerin
SMILES: O1C(C=2C=C(OC)C(OC)=C(O)C2)=CC(=O)C=3C1=CC(O)=CC3O
Compound: Hydroxydihydrosterigmatocystin
SMILES: O1C2OC=3C(C2CC1O)=C4OC=5C(C(=O)C4=C(OC)C3)=C(O)C=CC5
Compound: Flemiwallichin E
SMILES: OC1=C(C\C=C(\CCC=C(C)C)/C)C=CC(=C1O)C(=O)/C=C/C=2C(O)=CC=CC2
Compound: (2R)-2-(Icosanoyloxy)-3-(octadecyloxy)propyl docosanoate
SMILES: O(CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
Compound: 5,7,8-Trihydroxy-4'-methoxyflavanone
SMILES: O1[C@@H](CC(=O)C2=C1C(O)=C(O)C=C2O)C3=CC=C(OC)C=C3
Compound: {[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid
SMILES: P(O[C@@H]1C(O)[C@H](OP(O)(O)=O)C(O)C(O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: Acacetin 7-(4''''-Acetylrhamnosyl)-(1->6)-glucosyl-(1->3)-(6''-acetylglucoside)
SMILES: O([C@H]1[C@H](O)C(O[C@@H](OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C1O)COC(=O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO[C@@H]6OC([C@H](OC(=O)C)C(O)[C@@H]6O)C
Compound: PC(22:0/24:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)([O-])=O
Compound: Kaempferol 7,4'-dimethyl ether 3-neohesperidoside
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC=C(OC)C=C4)CO)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Compound: PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
Compound: PHOHA-PS
SMILES: P(OC[C@H](OC(=O)CCC(O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: Norselic acid E
SMILES: OC(=O)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(C=C3)=CC(=O)C=C4)C)[H])[H])(CC[C@@]2([C@@H](CC[C@](OC(=O)C)(CC)C(C)=C)C)[H])[H]
Compound: (2-Aminoethoxy)[(2R)-2-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphinic acid
SMILES: P(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: Bavacoumestan A
SMILES: O1C(C(O)CC=2C1=CC=3OC4=C(C3C2)C(OC5=C4C=CC(O)=C5)=O)(C)C
Compound: {[(1R,3S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid
SMILES: P(O[C@@H]1C(O)[C@H](OP(O)(O)=O)C(O)C(O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: Ethyl 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate
SMILES: Br\C(=C\C(O)CCCCCC/C=C/C#CC#CCCC(OCC)=O)\C=C/CCC
Compound: {[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid
SMILES: P(O[C@@H]1C(O)[C@H](OP(O)(O)=O)C(O)C(O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O
Compound: (6R,9R,12S)-d10-5-IsoF[5S,8S]
SMILES: O1[C@H]([C@H](O)C[C@]1([C@H](O)/C=C\[C@@H](O)C/C=C\CCCCC)[H])CCCC(O)=O
Compound: N-[(2S,3S)-3-Hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecan-2-yl]octadecanimidic acid
SMILES: O1[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)CCCCCCCCCCCCCCCC)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Compound: 6-({3,5-dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O(C1C(O)C(OC(C1O)C)OCC2OC(O)C(O)C(O)C2O)C3OC(C(O)C(O)C3O)C(O)=O
Compound: PA(P-16:0/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCC)(O)(O)=O
Compound: Vitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)[H])CO)[C@@H]5OC([C@H](OC(=O)C)C(OC(=O)C)[C@@H]5O)C
Compound: Pentane-1,5-diol
SMILES: OCCCCCO
Compound: 19-dimethylarsinoyl-nonadecanoic acid
SMILES: [As](=O)(CCCCCCCCCCCCCCCCCCC(O)=O)(C)C
Compound: Thiophene-2-thiol
SMILES: S1C(S)=CC=C1
Compound: Stoloniferone A
SMILES: O1[C@@]23[C@]([C@@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H](CCC(C(C)C)=C)C)[H])(C[C@H]4O)C)[H])(C[C@@]12[H])[H])[H])(C)C(=O)C=CC3
Compound: 3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,4a-dimethyl-5-[(3Z)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-decahydronaphthalene-1-carboxylate
SMILES: O(C(=O)C1(C2C(C(C(CC2)=C)CC/C(/C)=C\COC3OC(C(O)C(O)C3O)CO)(CCC1)C)C)C4OC(C(O)C(O)C4O)CO
Compound: 3-(3-methylfuran-2,5-diyl)-dipropionic acid
SMILES: O1C(=C(C=C1CCC(O)=O)C)CCC(O)=O
Compound: 6-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol
SMILES: OC=1C(CC=C(C)C)=C(O)C=C(C1O)/C=C/C2=C(O)C=C(O)C=C2
Compound: 3-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid
SMILES: O1C(CCCC(=O)C)=C(C(=C1CCC(O)=O)C(O)=O)C
Compound: {[2-(5-{[2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-5-[(2-methylbut-3-en-2-yl)oxy]-8-oxo-2H,8H-pyrano[3,2-g]chromen-10-yl]oxy}-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)-2-oxo-2H,8H-pyrano[3,2-g]chromen-3-yl)-2-methylbut-3-en-1-yl]oxy}sulfonic acid
SMILES: S(OCC(C1=CC2=C(OC1=O)C(C(C)(C)C=C)=C3OC(C=CC3=C2OC4=C5OC(C=CC5=C(OC(C)(C)C=C)C6=C4OC(=O)C(C(C)(C)C=C)=C6)(C)C)(C)C)(C)C=C)(O)(=O)=O
Compound: [2,2-dimethyl-6-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid
SMILES: S(OC1C(OC2=C(C1)C=C(C=C2)C=3OC=4C(C(=O)C3O)=C(O)C=C(O)C4)(C)C)(O)(=O)=O
Compound: (5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid
SMILES: S(OC=1C=C(C=2OC=3C(C(=O)C2OC4OC(C(O)C(O)C4O)C)=C(O)C=C(O)C3)C=CC1O)(O)(=O)=O
Compound: Rhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
SMILES: O([C@H]1[C@@H](OC(=O)C)C(O[C@@H](OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(OC)C4)C5=CC(O)=C(O)C=C5)C(O)C(O)[C@H]2O)C1O)C)[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Compound: 7-{[1-hydroxy-2-(pyridin-4-ylsulfanyl)ethylidene]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: S1C2N(C(=O)C2NC(=O)CSC3=CC=NC=C3)C(=C(C1)CO)C(O)=O
Compound: PS(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(14:0/18:1(11Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PG(O-16:0/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: (2R)-3-(Octadecyloxy)-2-(tetradecanoyloxy)propyl icosanoate
SMILES: O(CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
Compound: ent-14-epi-14-D4t-NeuroP
SMILES: O[C@H]1[C@@H]([C@@H](C(=O)C1)/C=C/[C@@H](O)C/C=C\C/C=C\CC)C/C=C\CCC(O)=O
Compound: TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PA-PG
SMILES: P(OC[C@H](OC(=O)CCCCCCCC(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: TG(18:0/15:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PA(19:1(9Z)/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(O)(O)=O
Compound: SCHEMBL6996017
SMILES: O(C1=CC=C(C=C1)C(=O)NC(O)=O)C
Compound: Caffeoyl C1-glucuronide
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C(O)=O
Compound: Pa(18:4(6z,9z,12z,15z)/22:6(4z,7z,10z,13z,16z,19z))
SMILES: P(OC[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)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: 6-[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(OC2=C(C(OC)=C3C(OC=C3)=C2)C(=O)C)C(O)C(O)C(O)C1C(O)=O
Compound: [(2S)-2-Hydroxy-3-({hydroxy[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphonic acid
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: Kaempferol 3-xylosyl-(1->2)-rhamnoside
SMILES: O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C)[C@@H]5OC[C@@H](O)C(O)[C@H]5O
Compound: PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[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)(OC[C@H](N)C(O)=O)(O)=O
Compound: 3,4,5-trihydroxy-6-(5-hydroxy-4-{2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-2-(3-methylbut-2-en-1-yl)phenoxy)oxane-2-carboxylic acid
SMILES: O1C(OC=2C(=CC(=C(O)C2)C(=O)C(O)CC3=CC(CC=C(C)C)=C(O)C=C3)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O
Compound: TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCC/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\C/C=C\CC
Compound: 2'-Prenyleriodictyol
SMILES: O1C(CC(=O)C=2C1=CC(O)=CC2O)C3=C(CC=C(C)C)C(O)=C(O)C=C3
Compound: (2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
SMILES: O(CCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: Gangetin
SMILES: O1C2C(C3=C1C(=C(O)C=C3)CC=C(C)C)COC4=C2C(OC)=C5C(OC(C=C5)(C)C)=C4
Compound: 6-[6-(2,4-dihydroxyphenyl)-2-(4-{7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl}-2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C1CC=2C=3OC(C4=CC(O)=C(C5C(C(CC(=C5)C)C6=C(O)C=C(O)C=C6)C(OC7OC(C(O)C(O)C7O)C(O)=O)=O)C(O)=C4)=CC3C=CC2O)(C)C
Compound: 6-tetradecynoic acid
SMILES: OC(=O)CCCCC#CCCCCCCC
Compound: (2R)-1-(Octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
SMILES: O(CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC
Compound: PG(22:4(7Z,10Z,13Z,16Z)/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: POB-PS
SMILES: P(OC[C@H](OC(=O)CCC=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 2-Hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]pentadecanimidic acid
SMILES: O1C(C(O)C(O)C(O)C1OCC(NC(=O)C(O)CCCCCCCCCCCCC)C(O)/C=C\CC/C=C\CCCCCCCCC)CO
Compound: PI(20:1(11Z)/22:2(13Z,16Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: PC(O-18:1(9Z)/20:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COCCCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: Methylnissolin 3-O-glucoside
SMILES: O1C2C(C3=C1C(OC)=C(OC)C=C3)COC4=C2C=CC(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)=C4
Compound: TG(15:0/20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCC/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: 5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(C(O)=C3C(OC(CC3=O)C4=CC(O)=C(O)C=C4)=C2)C)CO
Compound: 2-Octadecyl-1H-indol-3-ol
SMILES: OC1=C(NC=2C1=CC=CC2)CCCCCCCCCCCCCCCCCC
Compound: PA(15:0/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCCCCCCCCCCC)(O)(O)=O
Compound: Ps(15:0/20:3(8z,11z,14z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 4-Methoxybenzenepropanol 1-(2-sulfoglucoside)
SMILES: S(OC1C(O)C(O)C(OC1OCCCC2=CC=C(OC)C=C2)CO)(O)(=O)=O
Compound: (2S)-2-amino-3-({hydroxy[(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphoryl}oxy)propanoic acid
SMILES: P(OC[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\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Hispidulin 7-sulfate
SMILES: S(OC=1C=C2OC(=CC(=O)C2=C(O)C1OC)C3=CC=C(O)C=C3)(O)(=O)=O
Compound: (3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid
SMILES: P(OCC[N+](C)(C)C)(OCC(OC(=O)CCCCCCCCCCCCC=1OC(CCCCC)=CC1C)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(O)=O
Compound: PS(13:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 2-(3-Hydroxy-4,5-dimethoxyphenyl)-5-[8-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol
SMILES: O1C(CCC=2C(C=3C=4CCC(OC4C(O)=C(OC)C3)C=5C=C(OC)C(OC)=C(O)C5)=CC(OC)=C(O)C12)C6=CC(OC)=C(OC)C(OC)=C6
Compound: 1-O-(2R-hydroxy-4Z-tetradecenyl)-sn-glycerol
SMILES: O(C[C@H](O)C/C=C\CCCCCCCCC)C[C@@H](O)CO
Compound: (2S)-1-hydroxy-3-{[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy}propan-2-yl 13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoate
SMILES: O1C(CCCCCCCCCCCCC(O[C@H](COC(=O)CCCCCCCCC=2OC(CCCCC)=CC2C)CO)=O)=C(C(=C1CCCCC)C)C
Compound: PI(P-20:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCCCCCCCCCCCC)(O)=O
Compound: 5-[(10E)-Nonadec-10-en-1-yl]benzene-1,3-diol
SMILES: OC1=CC(CCCCCCCCC/C=C/CCCCCCCC)=CC(O)=C1
Compound: 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[3-hydroxy-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbutan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
SMILES: S(C(C(O)CC=1C=2OC(=O)C=CC2C=CC1OC)(C)C)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Compound: (2-aminoethoxy)[(2R)-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC=1OC(=C(C1C)C)CCCCC)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCC)(OCCN)(O)=O
Compound: Quercetin 3-glucosyl-(1->2)-rhamnoside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C)C5OC(C(O)C(O)C5O)CO
Compound: TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
SMILES: O1C2=C(C(CC1=O)C3=CC=CC=C3)C(O)=CC(O)=C2C(=O)/C=C/C4=CC=CC=C4
Compound: 2-{1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-8-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
SMILES: O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)CC=3C1=CC(O)=CC3O)C=4C5=CC(C6OC=7C(CC6OC(=O)C8=CC(O)=C(O)C(O)=C8)=C(O)C=C(O)C7)=CC(=O)C(O)=C5C(O)=C(O)C4
Compound: 22-epi-Hippurin-1
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@](CC4)(C[C@H](O)[C@H](OC(=O)C)C5)[H])C)([C@@H](O)C3)[H])[H])(C2)[H])C)([C@@](O)([C@]16OC([C@H](C6)C)(C)C)C)[H])[H]
Compound: {3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: Quinoside D
SMILES: O(C1C(C2[C@@](C3[C@]([C@]4(C([C@@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)=O)[H])=CC3)C)(CC2)C)(CC1)C)(C)C)[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)C(O)=O
Compound: N-{[(5-{6-[({[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}(hydroxy)phosphoryl)amino]-9H-purin-9-yl}-4-hydroxyoxolan-2-yl)methoxy](hydroxy)phosphoryl}-2,3-dihydroxy-4-methylpentanimidic acid
SMILES: P(OC1OC(C(O)C1O)C(O)CO)(O)(=O)NC=2N=CN=C3N(C4OC(CC4O)COP(O)(=O)NC(=O)C(O)C(O)C(C)C)C=NC32
Compound: PHODiA-PC
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
Compound: (2S)-2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
SMILES: O(CCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 5-Cholestene-3beta,7alpha,12alpha,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: DTXSID30596244
SMILES: IC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(I)=CC(OC3=C(I)C=C(CC(N)C(O)=O)C=C3I)=C1
Compound: 16-Glutaryloxy-1alpha,25-dihydroxy-20-epivitamin D3
SMILES: O([C@H]1[C@@]([C@@]2([C@@](C1)(/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)[H])C)([C@H](CCCC(O)(C)C)C)[H])C(=O)CCCC(O)=O
Compound: 2-Hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]hexadecanimidic acid
SMILES: O1C(C(O)C(O)C(O)C1OCC(NC(=O)C(O)CCCCCCCCCCCCCC)C(O)/C=C\CC/C=C\CCCCCCCCC)CO
Compound: Episceptrumgenin
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@](CC3)([C@@]5(C(=CC4)C[C@H](O)CC5)C)[H])[H])(C2)[H])C)([C@@H]([C@]16OCC(CC6)=C)C)[H])[H]
Compound: TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)[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\C/C=C\C/C=C\CC
Compound: 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside)
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1O[C@@H]2[C@H](O)[C@H](OC=3C2=C(OC)C=C(O)C3CC=C(C)C)C4=CC=C(O)C=C4)CO[C@@H]5OC[C@@H](O)C(O)C5O
Compound: TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/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: 16-B1-PhytoP
SMILES: O=C1C(CCCCCCCC(O)=O)=C(CC1)/C=C/[C@@H](O)CC
Compound: 10-hydroperoxy-h4-neuroprostane
SMILES: O1O[C@@]2([C@H]([C@H]([C@]1(C2)[H])C/C=C\CC)/C=C/[C@@H](OO)C/C=C\C/C=C\CCC(O)=O)[H]
Compound: 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
SMILES: O=C1C(C(=O)C(=C1C(=O)CCC2=CC=CC=C2)C)(C)C
Compound: TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 1-[5,7-Dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propan-2-yl 3,4,5-trihydroxybenzoate
SMILES: O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)CC3=C1C(C(C(OC(=O)C4=CC(O)=C(O)C(O)=C4)CC5=C(O)C=C(O)C=C5O)C6=CC(O)=C(O)C(O)=C6)=C(O)C=C3O)C7=CC(O)=C(O)C(O)=C7
Compound: SCHEMBL9567921
SMILES: S(OC(CC(O)=O)C(O)=O)(O)(=O)=O
Compound: ent-13-epi-13-F4t-NeuroP
SMILES: O[C@@H]1[C@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)C/C=C\C/C=C\C/C=C\CCC(O)=O)CC
Compound: 6,10-Dimethylundec-9-en-2-one
SMILES: O=C(CCCC(CCC=C(C)C)C)C
Compound: Dinoravicholic acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@]([C@H](O)C3)([C@H](C)C(O)=O)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: TG(18:3(9Z,12Z,15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[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\C/C=C\CC
Compound: 3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid
SMILES: O1C(CCCCC(O)=O)=C(C(=C1CCCC(O)=O)C)C
Compound: 6-{4-[7-({6-carboxy-3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O(C1C(O)C(O)C(OC1OC=2C=C3OC(C4=CC=C(OC5OC(C(O)C(O)C5O)C(O)=O)C=C4)=CC(=O)C3=C(O)C2)C(O)=O)C6OC(C(O)C(O)C6O)C(O)=O
Compound: Artomunoxanthentrione
SMILES: O1C(C=CC=2C=3OC=4C(C(=O)C3C(O)=CC12)=CC(=C5C4C(=O)C=C(OC)C5=O)C(C)=C)(C)C
Compound: [(2R)-2,3-bis({[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(dimethylamino)ethoxy]phosphinic acid
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC=1OC(=C(C1C)C)CCCCC)COC(=O)CCCCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(OCCN(C)C)(O)=O
Compound: 9,10-dichloro-octadecanoic acid
SMILES: ClC(C(Cl)CCCCCCCC(O)=O)CCCCCCCC
Compound: 5,5'-Bis({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylbutyl})-3,3'-dimethoxy-[1,1'-biphenyl]-2,2'-diol
SMILES: O(C1=CC(CC(C(CC2=CC=3OCOC3C=C2)C)C)=CC(C=4C=C(CC(C(CC5=CC=6OCOC6C=C5)C)C)C=C(OC)C4O)=C1O)C
Compound: 5,7,9,11,13-tetradecapentaenoic acid
SMILES: OC(=O)CCC/C=C/C=C/C=C/C=C/C=C
Compound: Henicosane-6,8-dione
SMILES: O=C(CCCCCCCCCCCCC)CC(=O)CCCCC
Compound: Butyl 3'-O-acetyl-2'-O-butanoyl-4,6,4'-tri-O-(2-methylpropanoyl)-neohesperidoside
SMILES: O(C1[C@@H](O)[C@H](OC(=O)C(C)C)C(O[C@H]1OCCCC)COC(=O)C(C)C)[C@@H]2OC([C@H](OC(=O)C(C)C)[C@H](OC(=O)C)C2OC(=O)CCC)C
Compound: PC(p-16:0/20:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCC)([O-])=O
Compound: Wanepimedoside A
SMILES: O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CCC(O)(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Compound: [(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PI(22:1(11Z)/20:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(O)=O
Compound: [2-(dimethylamino)ethoxy]({3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy})phosphinic acid
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: OOV-PI
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCC=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: {6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl}methyl 3,4,5-trihydroxybenzoate
SMILES: O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C1COC(=O)C4=CC(O)=C(O)C(O)=C4)C5=C(O)C(=C(O)C=C5O)C(=O)C6=CC(O)=C(O)C=C6
Compound: PG(O-18:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl}-3-hydroxy-2-methylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
SMILES: S(C(C(O)CC1=C(OC)C(=C(O)C=C1O)CC(=O)C2=C(O)C=C(O)C=C2)(C)C)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Compound: 3'-Methoxylupinifolin
SMILES: O1C=2C(=C3OC(C=CC3=C(O)C2C(=O)CC1C4=CC(OC)=C(O)C=C4)(C)C)CC=C(C)C
Compound: [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(22-methyltetracosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphinic acid
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)COC(=O)CCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Compound: (2Z)-hexenal
SMILES: C(/C=C\CCC)=O
Compound: 9,14-dihydroxy-octadecanoic acid
SMILES: OC(CCCCC(O)CCCC)CCCCCCCC(O)=O
Compound: 6-[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)oxirane-2-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C1C(OC2OC(C(O)C(O)C2O)C(O)=O)=O)C=3C(OC)=C(OC)C=4OCOC4C3
Compound: N-(3-oxo-9Z-hexadecenoyl)-homoserine lactone
SMILES: O1CC[C@H](NC(=O)CC(=O)CCCCC/C=C\CCCCCC)C1=O
Compound: Pa(22:6(4z,7z,10z,13z,16z,19z)/18:4(6z,9z,12z,15z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: Deuteroporphyrin IX
SMILES: OC(=O)CCC=1C=2N=C(C1C)C=C3NC(=CC=4NC(C=C5N=C(C(=C5C)CCC(O)=O)C2)=CC4C)C=C3C
Compound: Hentriacontane-6,8-diol
SMILES: OC(CCCCCCCCCCCCCCCCCCCCCCC)CC(O)CCCCC
Compound: (+)-18-Hydroxy-7,16-sacculatadiene-11,12-dial
SMILES: O=C[C@@H]1[C@@]2([C@]([C@@](CCC2)(C/C=C/C(O)(C)C)C)(CC=C1C=O)[H])C
Compound: TG(16:1(9Z)/20:1(11Z)/24:1(15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: 6-Prenylcatechin
SMILES: O1[C@@H]([C@@H](O)CC2=C1C=C(O)C(=C2O)CC=C(C)C)C3=CC(O)=C(O)C=C3
Compound: [3-(hexadecanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: (3,5-dichlorophenyl)ureidoformate
SMILES: [O-]C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1
Compound: LPIM2(16:0/0:0)
SMILES: P(OC1C(O[C@@H]2OC([C@H](O)C(O)[C@@H]2O)CO)C(O)C(O)C(O)[C@H]1O[C@H]3OC([C@@H](O)C(O)[C@H]3O)CO)(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: 4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-[2-({2-[(3-hydroxytetradec-8-enoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-3,3-dimethylbutanimidic acid
SMILES: S(C(=O)CC(O)CCCCC=CCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(OP(OCC1OC(N2C3=NC=NC(N)=C3N=C2)C(O)C1OP(O)(O)=O)(O)=O)(O)=O)(C)C
Compound: 5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol
SMILES: OC1=CC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=CC(O)=C1
Compound: (9R,9'r)-5-{[(2S,3R,4S,5S,6R)-3-[(carboxycarbonyl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,4'-dihydroxy-10,10'-dioxo-5'-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H,10H,10'H-[9,9'-bianthracene]-2,2'-dicarboxylic acid
SMILES: O1[C@@H](OC=2C3=C([C@@]([C@@]4(C5=C(C(=O)C6=C4C=C(C=C6O)C(O)=O)C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)=CC=C5)[H])(C8=C(C3=O)C(O)=CC(=C8)C(O)=O)[H])C=CC2)[C@H](OC(=O)C(O)=O)[C@@H](O)[C@H](O)[C@H]1CO
Compound: (3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}oxan-2-yl)methyl acetate
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(OC5OC(C(O)C(O)C5O)CO)=CC3O)COC(=O)C
Compound: PI(O-20:0/17:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: (2E)-1-(3-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-2,4-dihydroxyphenyl)-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
SMILES: O=C(C1C(CC(=CC1C=2C(O)=C(C=CC2O)C(=O)/C=C/C3=C(O)C=C(O)C=C3)C)C4=CC=C(O)C=C4)C5=C(O)C(=C(O)C=C5)CC=C(C)C
Compound: Norlithocholic acid
SMILES: O[C@H]1C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC(O)=O)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H]
Compound: (2E,4Z)-1-(1,2,3,4-Tetrahydropyridin-1-yl)undeca-2,4-dien-8,10-diyn-1-one
SMILES: O=C(N1CCCC=C1)/C=C/C=C\CCC#CC#C
Compound: PI(14:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O
Compound: 3-(Icosanoyloxy)-2-(octadecyloxy)propyl icosanoate
SMILES: O(CCCCCCCCCCCCCCCCCC)C(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
Compound: Ixocarpalactone A
SMILES: O1C23C(C4C(C5C(C(C(O)C5)C(O)(C(O)C6OC(=O)C(C6C)C)C)(CC4)C)CC12)(C)C(=O)C=CC3O
Compound: TG(18:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)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: 25-iso-etioline
SMILES: O[C@H]1[C@@]([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(C1)[H])C)([C@@H](C5=NC[C@@H](CC5)C)C)[H]
Compound: [5,6,7-trihydroxy-4-oxo-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid
SMILES: S(OC1C(OC2=C(C1=O)C(O)=C(O)C(O)=C2)C3=C(O)C(O)=C(O)C=C3)(O)(=O)=O
Compound: Davallioside A
SMILES: O([C@H]1[C@H](OC2=C(C1)C(O)=CC(O)=C2C3NC(=O)CC3)C4=CC(O)=C(O)C=C4)[C@@H]5O[C@@H]([C@@H](O)C(O)C5O)CO
Compound: 1-(6-Nonylpyridin-3-yl)decan-1-one
SMILES: O=C(CCCCCCCCC)C=1C=CC(=NC1)CCCCCCCCC
Compound: TG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 6-{[3-(2,4-dihydroxy-3-methoxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC(=O)CCC2=C(O)C(OC)=C(O)C=C2)C(O)=O
Compound: 2E,4E-undecadienoic acid
SMILES: OC(=O)\C=C\C=C\CCCCCC
Compound: PA(O-16:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: 6-Hydroxycyanidin 3-(6-malonylglucoside)
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C([O+]=C3C(=C2)C(O)=C(O)C(O)=C3)C4=CC(O)=C(O)C=C4)COC(=O)CC(O)=O
Compound: (6-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid
SMILES: S(OC1C(O)C(O)C(OC1CO)C=2C=3OC(C(O)C(C3C(O)=CC2O)C=4C=5OC(C(O)CC5C(O)=CC4O)C6=CC(O)=C(O)C=C6)C7=CC(O)=CC=C7)(O)(=O)=O
Compound: 5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
SMILES: O1[C@H]([C@@H](O)C(O)C(O)[C@@H]1OC=2C(C=3OC4=C(C(=O)C3)C(O)=CC(OC)=C4OC)=C(O)C=CC2)C(O)=O
Compound: TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Heptacosane-6,8-dione
SMILES: O=C(CCCCCCCCCCCCCCCCCCC)CC(=O)CCCCC
Compound: Ovaliflavanone C
SMILES: O1C(CC(=O)C2=C1C(CC=C(C)C)=C(O)C=C2)C3=CC=4OCOC4C=C3
Compound: Ps(14:1(9z)/20:5(5z,8z,11z,14z,17z))
SMILES: P(OC[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\CCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Ginsenoside La
SMILES: O1[C@]2(C3[C@@]([C@]4([C@@]([C@@]5(C(CC4)C([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)CC5)(C)C)C)(C2)[H])[H])(CC[C@@]3([C@@](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)(C[C@@H]1C=C(C)C)C)[H])C)[H]
Compound: (3E)-4-(5-amino-2-hydroxyphenyl)-2-oxobut-3-enoic acid
SMILES: Nc1ccc(O)c(\C=C\C(=O)C(O)=O)c1
Compound: 5-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol
SMILES: O1C(C(C=2C1=CC(O)=CC2C=3C4=C(OC3C5=CC=C(O)C=C5)C=CC(=C4)\C=C\C6=C7C(C(OC7=CC(O)=C6)C8=CC=C(O)C=C8)C9=CC(O)=CC=C9)C%10=CC(O)=CC(O)=C%10)C%11=CC=C(O)C=C%11
Compound: OKOHA-PA
SMILES: P(OC[C@H](OC(=O)CCC(=O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: (2R,3R)-2-(3,4-Dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
SMILES: O1[C@@H]([C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@](C3=C(O)C=4C[C@@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@H](OC4C=C3O)C6=CC(O)=C(O)C=C6)(C=7C1=CC(O)=CC7O)[H])C8=CC(O)=C(O)C=C8
Compound: Nor-beta-muricholic acid
SMILES: O[C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@]([C@@H]1O)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: (2E)-N-{2-[5,5'-dihydroxy-3'-(2-{[(2E)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}ethyl)-1H,1'H-[4,4'-biindole]-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid
SMILES: OC1=C(C=2C(CCNC(=O)/C=C/C3=CC(OC)=C(O)C=C3)=CNC2C=C1)C=4C=5C(CCNC(=O)/C=C/C6=CC=C(O)C=C6)=CNC5C=CC4O
Compound: Nor-omega-muricholic acid
SMILES: O[C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@]([C@H]1O)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: 1-(8-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one
SMILES: O(C1C(O)C(OC(OCC2OC(OC3=C4C(=CC(OC)=C3)C=C(C(=C4O)C(=O)C)C)C(O)C(O)C2O)C1O)CO)C5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)CO
Compound: PI(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COCCCCCCCCCCCCCCCC)(O)=O
Compound: {2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetracosanoyloxy)propoxy}[2-(methylamino)ethoxy]phosphinic acid
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: ent-20-epi-20-F4t-NeuroP
SMILES: O[C@H]1[C@@H]([C@@H]([C@@H](O)C1)/C=C/[C@@H](O)CC)C/C=C\C/C=C\C/C=C\CCC(O)=O
Compound: PS(DIME(11,5)/MONOME(13,5))
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC=1OC(CCCCC)=CC1C)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(OCC(N)C(O)=O)(O)=O
Compound: PI(20:0/0:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)=O
Compound: 5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside
SMILES: O([C@@H]1C(O)[C@@H](OC[C@H]1O)OC2=C(C(O)=C3C(OC(CC3=O)C4=CC=CC=C4)=C2)C)[C@@H]5OC[C@@H](O)[C@H](O)C5O
Compound: 6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O(C=1C(C2C(C(CC(=C2)C)C3=C(O)C=C(O)C=C3)C(=O)C4=C(O)C5=C(OC(C=C5)(C)C)C=C4)=C(O)C=CC1)C6OC(C(O)C(O)C6O)C(O)=O
Compound: LPIM1(18:0/0:0)
SMILES: P(O[C@H]1[C@H](O[C@H]2OC([C@@H](O)C(O)[C@H]2O)CO)C(O)[C@H](O)C(O)C1O)(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O
Compound: (6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILES: O1C(OC2OC(C(O)C(O)C2O)COC(=O)/C=C/C3=CC(OC)=C(O)C=C3)(C(O)C(O)C1CO)CO
Compound: 3,4,5-trihydroxy-6-(5-hydroxy-2-{2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-4-(3-methylbut-2-en-1-yl)phenoxy)oxane-2-carboxylic acid
SMILES: O1C(OC2=C(C(=O)C(O)CC3=CC(CC=C(C)C)=C(O)C=C3)C=C(C(O)=C2)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O
Compound: 3alpha,7alpha-Dihydroxy-12-oxo-5alpha-cholestan-26-oic acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCCC(C)C(O)=O)C)[H])(C(=O)C[C@@]2([C@@]4([C@@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: 2-Heptylbenzothiazole
SMILES: S1C(=NC=2C1=CC=CC2)CCCCCCC
Compound: 1alpha,25-Dihydroxy-2Z-ethylidene-19-norvitamin D3
SMILES: OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3\C[C@@H](O)/C(/[C@H](O)C3)=C/C)[H])C)[H])C)(C)C
Compound: 1'',2''-Dihydro-O-methylcyclopomiferin
SMILES: O1C(CCC=2C1=C3CCC(OC3=C4C2OC=C(C4=O)C5=CC(OC)=C(O)C=C5)(C)C)(C)C
Compound: PA(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[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\C/C=C\CCCC)(O)(O)=O
Compound: Leridol
SMILES: O1C(CC(=O)C=2C1=C(C(OC)=C(C2O)CO)C)C3=CC=CC=C3
Compound: R-95913
SMILES: S1C=2CCN(C(C(=O)C3CC3)C=4C(F)=CC=CC4)CC2C=C1O
Compound: Garcimangosone A
SMILES: O1C(C=CC=2C1=C(C3=C(OC=4C(C3=O)=C(O)C5=C(OC(C=C5)(C)C)C4)C2O)CC=C(C)C)(C)C
Compound: PG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 2-methoxy-4-oxatetradecanoic acid
SMILES: O(CCCCCCCCCC)CC(OC)C(O)=O
Compound: Kaempferol 3-rhamninoside
SMILES: O([C@@H]1C(O)[C@@H](OC([C@@H]1O)C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C(O)C(O)[C@H]2O)[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Compound: Albanin F
SMILES: O1C=2C(C3C(C(CC(=C3)C)C4=C(O)C=C(O)C=C4)C(=O)C5=C(O)C=C(O)C=C5)=C(O)C=C(O)C2C(=O)C(=C1C6=C(O)C=C(O)C=C6)CC=C(C)C
Compound: {[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid
SMILES: S(OCC1(OC(C(O)C1O)CO)OC2OC(C(O)C(O)C2O)CO)(O)(=O)=O
Compound: MGDG(16:0/18:2(9Z,12Z))
SMILES: O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)CO
Compound: Lupinisoflavone M
SMILES: O1C(C(O)(C)C)CC2=C1C=CC(=C2)C=3C(=O)C=4C(O)=C(CC(O)C(O)(C)C)C(O)=CC4OC3
Compound: {[8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acid
SMILES: S(OCC1(OC2=C(C=C1)C(O)=C3C(OC(=CC3=O)C4=C(O)C=C(O)C=C4)=C2)C)(O)(=O)=O
Compound: Sphingofungin B
SMILES: O[C@@H](CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N)C(O)=O)CCCCCC
Compound: LPIM2(19:0/0:0)
SMILES: P(OC1C(O[C@@H]2OC([C@H](O)C(O)[C@@H]2O)CO)C(O)C(O)C(O)[C@H]1O[C@H]3OC([C@@H](O)C(O)[C@H]3O)CO)(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCCC)(O)=O
Compound: [4-(7-hydroxy-8-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
SMILES: S(OC1=CC=C(C2OC3=C(C(=O)C2)C=CC(O)=C3OC)C=C1)(O)(=O)=O
Compound: Ingol
SMILES: O1[C@@]23[C@@]1([C@@H](O)[C@H](C2)C)C=C([C@@H](O)[C@@H](O)C4C(C4(C)C)[C@@H](O)[C@H](C3=O)C)C
Compound: 28-Glucosylsiaresinolate 3-arabinoside
SMILES: O([C@@H]1C(C2[C@@](C3[C@]([C@]4(C([C@]5([C@@](CC4)(CCC([C@H]5O)(C)C)C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)=O)[H])=CC3)C)(CC2)C)(CC1)C)(C)C)[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O
Compound: 3-O-alpha-L-rhamnopyranosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid
SMILES: O1C(OC(CCCCCCC)CC(OC(CCCCCCC)CC(O)=O)=O)[C@@H](O)C(O)[C@@H](O)C1C
Compound: 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestan-27-oic acid
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(CO)C(O)=O)C)[H])[H])C
Compound: Piperaduncin A
SMILES: O(C1=C(C(C=2C=C(C=CC2O)C(OC)=O)C=C(C)C)C(O)=C(C(O)=C1)C(=O)CCC3=CC=CC=C3)C
Compound: 6-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O(C1C(O)C(O)C(OC1OCC2OC(O)C(O)C(O)C2O)C)C3OC(C(O)C(O)C3O)C(O)=O
Compound: Haloperidol glucuronide
SMILES: ClC1=CC=C(C2(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)CCN(CC2)CCCC(=O)C4=CC=C(F)C=C4)C=C1
Compound: a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose
SMILES: O(C1C(O)C(O)C(OC1O)COC2OC(C(O)C(O)C2O)CO)C3OC(C(O)C3O)CO
Compound: PI(P-20:0/22:2(13Z,16Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(O)=O
Compound: 1-dimethylarsinoyl-tricosane
SMILES: [As](=O)(CCCCCCCCCCCCCCCCCCCCCCC)(C)C
Compound: 5beta-Chol-11-en-24-oic Acid
SMILES: OC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(CCCC4)[H])C)(C=C2)[H])[H])(CC1)[H])C)[H])C
Compound: 20-acetoxy-clavulone I
SMILES: O([C@]1(C/C=C\CCCCCOC(=O)C)\C(\C(=O)C=C1)=C/C=C\[C@H](OC(=O)C)CCC(OC)=O)C(=O)C
Compound: 3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone
SMILES: O1C(C=2C(OC)=CC(OC)=C(OC)C2)=C(O)C(=O)C=3C1=CC(O)=CC3O
Compound: Dehydroaporheine
SMILES: O1C=2C3=C4C(CCN(C4=CC=5C3=CC=CC5)C)=CC2OC1
Compound: 4-Hydroxyderricin
SMILES: O(C1=C(CC=C(C)C)C(O)=C(C=C1)C(=O)/C=C/C2=CC=C(O)C=C2)C
Compound: Sachaliside 2
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C(O)=C3C[C@H](O)[C@H](OC3=C2)C4=CC(O)=C(O)C=C4)C/C=C/C5=CC=C(O)C=C5)CO
Compound: 13R-HpOME(11E)
SMILES: O(O)[C@H](CCCCC)\C=C\CCCCCCCCCC(O)=O
Compound: PA(13:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: Gangetinin
SMILES: O1C2C(C3=C1C4=C(OC(C=C4)(C)C)C=C3)COC5=C2C(OC)=C6C(OC(C=C6)(C)C)=C5
Compound: Calyxin G
SMILES: O1[C@H](CC(C[C@@H]1C2=CC=C(O)C=C2)C3=C4OC(CC(=O)C4=C(OC)C=C3O)C5=CC=C(O)C=C5)CCC6=CC=C(O)C=C6
Compound: PS(12:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(17:1(9Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PA(8:0/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC)(O)(O)=O
Compound: Kukulkanin A
SMILES: O(C=1C(O)=C(C=CC1O)C(=O)/C=C/C2=CC=C(OC)C=C2)C
Compound: Artonin P
SMILES: O1C23C1(C=4OC5=C(C(=O)C4CC2C(C)=C)C(O)=CC=6OC(C=CC56)(C)C)C(=O)C=C(O)C3=O
Compound: PHDdiA-PI
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: BW A868C
SMILES: OC(C1CCCCC1)CNN2C(CCCCCCC(O)=O)C(=O)N(C2=O)CC3=CC=CC=C3
Compound: Cucujolide II
SMILES: O1[C@@H](CCCCCCC=CCC1=O)C
Compound: 3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone
SMILES: O(C1=C(C=C(CCC(=O)C=2C(O)=C(CC=C(C)C)C(O)=CC2O)C=C1O)CC=C(C)C)C
Compound: 16-epi-16-D1t-PhytoP
SMILES: O[C@@H]1[C@H]([C@H](C(=O)C1)/C=C/[C@H](O)CC)CCCCCCCC(O)=O
Compound: 1,4-Methylimidazoleacetic acid
SMILES: OC(=O)CC=1N(C=CN1)C
Compound: Kaempferol 3-isorhamninoside-7-rhamnoside
SMILES: O([C@@H]1[C@H](O)C(O)[C@@H](OC1C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O[C@@H]5OC([C@H](O)[C@H](O)C5O)C)C4)C6=CC=C(O)C=C6)C(O)C(O)[C@H]2O)[C@@H]7OC([C@H](O)[C@H](O)C7O)C
Compound: 3-Oxo-5beta-chol-9(11)-en-24-oic Acid
SMILES: O=C1C[C@@]2([C@@](C=3[C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(CC2)[H])(CC1)C)[H]
Compound: 4-O-alpha-Cadinylangolensin
SMILES: O([C@@]1(C2C(C(CC1)C(C)C)C=C(CC2)C)C)C3=CC(O)=C(C=C3)C(=O)C(C4=CC=C(OC)C=C4)C
Compound: 1-dimethylarsinoyl-heptadecane
SMILES: [As](=O)(CCCCCCCCCCCCCCCCC)(C)C
Compound: Fasciculiferin
SMILES: O1C(O)C=2C(C=3OC4=C(C(=O)C13)C=CC(O)=C4)=CC(O)=C(O)C2
Compound: Kurziflavolactone A
SMILES: O1[C@]2(CC(C[C@]1(O)/C=C/C3=CC=CC=C3)C=4C=5O[C@H](CC(=O)C5C(O)=CC4OC(=O)CCC2)C6=CC=CC=C6)[H]
Compound: 24-Nor-5beta-chol-22-ene-3alpha,7alpha,12alpha-triol
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=C)[H])[H])C
Compound: 15S-hydroperoxy-PGD2
SMILES: O[C@@H]1[C@@H]([C@H](C(=O)C1)/C=C/[C@@H](OO)CCCCC)C/C=C\CCCC(O)=O
Compound: 5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone
SMILES: O1C(CC(=O)C2=C1C3=C(OC=C3)C(OC)=C2O)C4=CC=5OCOC5C=C4
Compound: PI(22:4(7Z,10Z,13Z,16Z)/17:2(9Z,12Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: Bolegrevilol
SMILES: O(C1=C(C\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)C=C(O)C=C1O)C(=O)C
Compound: 5-O-Methylhoslundin
SMILES: O1C=2C(=C(OC)C(=C(OC)C2)C=3C(=O)C(OC)=C(OC3)C)C(=O)C=C1C4=CC=CC=C4
Compound: PG(O-20:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 16:2-Glc-Cholesterol
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[C@@H]5OC([C@@H](O)C(O)C5O)COC(=O)CCCCC/C=C\C/C=C\CCCCC
Compound: 15d-PGA1
SMILES: O=C1[C@H](CCCCCCC(O)=O)/C(/C=C1)=C\C=C\CCCCC
Compound: Haginin A
SMILES: O1CC(C2=C(OC)C(OC)=C(O)C=C2)=CC3=C1C=C(O)C=C3
Compound: PS(14:0/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Aliarin
SMILES: O1C(C2=CC(CCC(CO)C)=C(O)C=C2)=C(OC)C(=O)C3=C1C=C(O)C(OC)=C3O
Compound: PG(12:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(20:2(11Z,14Z)/22:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: PA(22:4(7Z,10Z,13Z,16Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PI(O-16:0/16:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COCCCCCCCCCCCCCCCC)(O)=O
Compound: Spinosin 6'''-(E)-ferulate
SMILES: O1[C@](C(O[C@@H]2OC([C@@H](O)C(O)C2O)COC(=O)/C=C/C3=CC(OC)=C(O)C=C3)[C@@H](O)[C@H](O)C1CC)(C=4C(O)=C5C(OC(=CC5=O)C6=CC=C(O)C=C6)=CC4OC)[H]
Compound: Quercetagetin 7-(6''-isobutyrylglucoside)
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2O)C4=CC(O)=C(O)C=C4)COC(=O)C(C)C
Compound: 3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid
SMILES: O=C1[C@]2([C@]([C@]3(C([C@@]4(C(CC3)=CC(=O)C=C4)C)=C1)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: Kenusanone D
SMILES: O1C(CC(=O)C=2C1=C(CC=C(C)C)C(O)=CC2O)C3=C(O)C=C(OC)C=C3O
Compound: Sakacin A
SMILES: O=C(N(C(C)(C)C)C)NC(NC(=O)C(N)CC(O)=O)C
Compound: OHHdiA-PI
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCC(O)/C=C/C(O)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: 5-Azacytidine 5'-diphosphate
SMILES: P(OC[C@H]1O[C@@H](N2C(=O)N=C(N=C2)N)[C@H](O)[C@@H]1O)(OP(O)(O)=O)(O)=O
Compound: MGDG(18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: PI(12:0/18:3(9Z,12Z,15Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC)(O)=O
Compound: PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Octadeca-9-en-12,14,16-triynoic acid
SMILES: OC(=O)CCCCCCC/C=C\CC#CC#CC#CC
Compound: (hydroxymethyl)carbamic acid
SMILES: OCNC(O)=O
Compound: (3-ethenylphenyl)oxidanesulfonic acid
SMILES: S(OC=1C=C(C=CC1)C=C)(O)(=O)=O
Compound: Delphinidin 3-(6''-malonylglucoside)
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)COC(=O)CC(O)=O
Compound: 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1CO)C2=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5
Compound: 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
SMILES: O1[C@@H]([C@@H](OC)[C@@H](O)C=2C1=C(C(O)=CC2OC)CC=C(C)C)C3=CC=C(O)C=C3
Compound: 15-HETE-G
SMILES: O[C@@H](CCCCC)/C=C/C=C\C/C=C\C/C=C\CCCC(OC(CO)CO)=O
Compound: Herbasterol
SMILES: O[C@H]1[C@]2([C@@](C(=O)[C@]([C@]3([C@@]([C@](CC3)([C@@H](CCCC(C)C)C)[H])(CCO)C)[H])(C1)[H])(C[C@H](O)[C@@H](O)C2)CO)[H]
Compound: Acrimarine I
SMILES: O1C2=C(C(C3=C(OC)C=C4OC(=O)C=CC4=C3)C=C(C)C)C(O)=C5C(N(C6=C(C5=O)C=CC=C6O)C)=C2C=CC1(C)C
Compound: Ceroptene
SMILES: O(C=1C(C(=O)/C(/C(=O)C1)=C(\O)/C=C/C2=CC=CC=C2)(C)C)C
Compound: PKDdiA-PG
SMILES: P(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(22:0/12:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: PI(17:1(9Z)/0:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COC(=O)CCCCCCC/C=C\CCCCCCC)(O)=O
Compound: PI(15:0/22:2(13Z,16Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(O)=O
Compound: PG(P-20:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Didymocalyxin B
SMILES: O1C2=C(C(=C1O)C(=O)/C=C/C3=CC=CC=C3)C(OC)=C(OC)C(O)=C2C(=O)/C=C/C4=CC=CC=C4
Compound: 6-Hydroxykaempferol 7,4'-dimethyl ether 3-sulfate
SMILES: S(OC1=C(OC=2C(C1=O)=C(O)C(O)=C(OC)C2)C3=CC=C(OC)C=C3)(O)(=O)=O
Compound: Calomelanol A
SMILES: O1C2=C(C(CC1=O)C3=CC=CC=C3)C(O)=CC(O)=C2C(=O)CCC4=CC=C(OC)C=C4
Compound: Flowerine
SMILES: O1[C@@H](CC(=O)C2=C1C(CC=C(C)C)=C(OC)C=C2O)C3=CC=C(OC)C=C3
Compound: DG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: 9-L1-PhytoP
SMILES: O[C@@H](CCCCCCCC(O)=O)/C=C/C=1CCC(=O)C1CC