MonarchInit/C3PO huggingface dataset:
Compound: Icariside E5
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C([C@@H](CC3=CC(OC)=C(O)C=C3)CO)C=C(C=C2OC)/C=C/CO)CO
Compound: 8-iso-PGF2alpha III-EA
SMILES: O[C@@H]1[C@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(=O)NCCO
Compound: 9-E1t-PhytoP
SMILES: O[C@H]1[C@@H]([C@@H](C(=O)C1)/C=C/[C@@H](O)CCCCCCCC(O)=O)CC
Compound: [2,6-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]oxidanesulfonic acid
SMILES: S(OC=1C(O)=C(CC=C(C)C)C=CC1O)(O)(=O)=O
Compound: Sphingofungin A
SMILES: O[C@@H](CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N=C(N)N)C(O)=O)CCCCCC
Compound: Methyllinderatin
SMILES: O(C1=C([C@@]2([C@H](CCC(=C2)C)C(C)C)[H])C(O)=C(C(O)=C1)C(=O)CCC3=CC=CC=C3)C
Compound: 4'-O-Methyl-(-)-epicatechin 3'-O-glucuronide
SMILES: O1[C@@H](OC=2C=C([C@H]3OC=4C(C[C@H]3O)=C(O)C=C(O)C4)C=CC2OC)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: 4-Keto-4'-hydroxydiatoxanthin
SMILES: O[C@H]1CC(C(=C([C@@H]1O)C)C#C\C(\C)=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=2C(C[C@H](O)C(=O)C2C)(C)C)/C)/C)\C)(C)C
Compound: Lonchocarpin
SMILES: O1C(C=CC2=C1C=CC(=C2O)C(=O)/C=C/C3=CC=CC=C3)(C)C
Compound: 5-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)resorcinol
SMILES: OC1=CC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=CC(O)=C1
Compound: 3-chloropropane-1,2-diol
SMILES: OCC(O)CCl
Compound: Asteriidoside L
SMILES: S(OC[C@H](\C=C\[C@H]([C@@]1([C@@]2([C@]([C@@]3(O)[C@@]([C@@]4([C@@]([C@H](O)C3)(C[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)[H])C)(CC2)[H])([C@@H](O)C1)[H])C)[H])C)C(C)C)([O-])(=O)=O.[Na+]
Compound: 26,27-dinor-cholest-5-en-23-yn-3beta-ol
SMILES: O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC#CC)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Compound: N-(3-hydroxy-octadecanoyl)-homoserine lactone
SMILES: OC(CCCCCCCCCCCCCCC)CC(=O)N[C@H]1CCOC1=O
Compound: N-di-Demethyl roxithromycin
SMILES: O([C@H]1C([C@@H](OC2OC(CC(N)C2O)C)[C@](O)(C[C@H](/C(=N\OCOCCOC)/[C@@H]([C@@H](O)[C@](O)([C@H](OC(=O)[C@@H]1C)CC)C)C)C)C)C)C3OC(C(C(OC)(C3)C)C)C
Compound: Dinorchenodeoxycholic acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([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: PA(18:3(6Z,9Z,12Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: calicoferol A
SMILES: O=C1[C@H]([C@]2([C@@]([C@](CC2)([C@H](C)/C=C/CC(C)C)[H])(CC1)C)[H])CCC3=C(C=CC(O)=C3)C
Compound: 3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate
SMILES: S(O)(=O)C=1C=C2OC(C(O)CC2=C([O-])C1)C3=CC(O)=C(OC)C=C3
Compound: (3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol
SMILES: O1C23C(C4=C(C(O)C12)C=5C(CC4)(C(CC5)C(C)/C=C/C(C(C)C)C)C)(CCC(O)C3)C
Compound: 24-Nor-5beta-cholane-3alpha,7alpha,23-triol
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCO)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: PS(O-18:0/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 2-amino-tridecanoic acid
SMILES: OC(=O)C(N)CCCCCCCCCCC
Compound: PHOOA-PS
SMILES: P(OC[C@H](OC(=O)CCCC(O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PI(O-18:0/20:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COCCCCCCCCCCCCCCCCCC)(O)=O
Compound: 16-epi-16-J1-PhytoP
SMILES: O=C1[C@@H]([C@H](CCCCCCCC(O)=O)C=C1)/C=C/[C@H](O)CC
Compound: Benzyl trans-2-methyl-2-butenoate
SMILES: O(CC1=CC=CC=C1)C(=O)/C(/C)=C/C
Compound: 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: 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoic acid
SMILES: O1[C@@H]([C@H]1C#CC#CCCC(O)=O)CCC\C=C/C=C\CC
Compound: 9-Octadecene-12,14,16-triynoic acid
SMILES: OC(=O)CCCCCCC/C=C/CC#CC#CCCC
Compound: PGP(a-13:0/i-13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(CC)C)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: PG(22:1(11Z)/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(18:3(6Z,9Z,12Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 5-trans-PGF2alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)C/C=C/CCCC(O)=O
Compound: N-(15-methyl-3-(12-methyl-tridecanoyloxy)-hexadecanoyl)-glycine
SMILES: O([C@H](CCCCCCCCCCCC(C)C)CC(=O)NCC(O)=O)CCCCCCCCCCCC(C)C
Compound: Axillarenic acid
SMILES: OC(CCCCCCCCCCC)CC(O)/C=C/CCCCCCCC(O)=O
Compound: 3'-Deoxydryopteric acid
SMILES: O1[C@@H]([C@H](O)[C@H](C=2C1=CC(O)=CC2O)CC(O)=O)C3=CC=C(O)C=C3
Compound: 1-(2-methoxy-13-methyl-pentadecanyl)-sn-glycero-3-phosphoethanolamine
SMILES: P(OC[C@H](O)COCC(OC)CCCCCCCCCCC(CC)C)(OCCN)(O)=O
Compound: 12-NO2-CLA
SMILES: OC(=O)CCCCCCC/C=C/C=C(/[N+]([O-])=O)\CCCCCC
Compound: methyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate
SMILES: O1OC(CC1C(OO)CCCCCCCC(OC)=O)C2OOC(C=C2)CC
Compound: Sphingofungin D
SMILES: O[C@@H](CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](NC(=O)C)C(O)=O)CCCCCC
Compound: Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin
SMILES: O(C1CC(OC2OC(C(O)C(O)C2O)CO)/C(/C(O)C1O)=C/C#N)C3OC(C(O)C(O)C3O)CO
Compound: PI3-Kinase alpha Inhibitor 2
SMILES: S1C=2C(N3CCOCC3)=NC(=NC2C=C1)C4=CC(O)=CC=C4
Compound: 5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-6-(2-hydroxy-3-methyl-3-butenyl)-4H-1-benzopyran-4-one
SMILES: O1C2=C(C(O)=C(CC(O)C(C)=C)C(O)=C2)C(=O)C=C1C3=CC(CC(O)C(C)=C)=C(O)C=C3
Compound: Sagittatoside B
SMILES: O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O
Compound: Bolekolic acid
SMILES: OC(CCCCCCC(O)=O)C#CC#C\C=C\CCCC
Compound: Methyl gamma-Linolenyl Fluorophosphonate
SMILES: P(F)(OC)(=O)CCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: Lonchocarpol B
SMILES: O1C2=C(CC(O)C(O)(C)C)C(O)=C(C(O)=C2C(=O)CC1C3=CC=C(O)C=C3)CC=C(C)C
Compound: Ethyl 3,3-diiodoacrylate
SMILES: IC(I)=CC(OCC)=O
Compound: (9R,12R,16R)-d14-10-PhytoF[10R,13S]
SMILES: O1[C@](C[C@@H](O)[C@@H]1/C=C/[C@H](O)CC)([C@H](O)CCCCCCCC(O)=O)[H]
Compound: Pandaroside A
SMILES: O([C@@H]1C[C@]2([C@@]([C@@]3([C@]([C@@]4([C@](CC3)(C(=C(O)C4=O)[C@@H](CC(=O)[C@@H](C(C)C)CC)C)C)[H])(CC2)[H])[H])(CC1)C)[H])[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)=O
Compound: 3alpha-Hydroxy-12-oxo-5beta-chola-7,9(11)-dien-24-oic Acid
SMILES: O=C1[C@]2([C@@](CC[C@@]2([C@@H](CCC(O)=O)C)[H])(C=3C([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)=C1)[H])C
Compound: PG(18:4(6Z,9Z,12Z,15Z)/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: 10-tetradecynoic acid
SMILES: OC(=O)CCCCCCCCC#CCCC
Compound: 3-Methylpentyl glucosinolate
SMILES: S(C1OC(C(O)C(O)C1O)CO)\C(=N\OS(O)(=O)=O)\CCC(CC)C
Compound: 22:3-Glc-Campesterol
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@H](C(C)C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[C@@H]5OC([C@@H](O)C(O)C5O)COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PA(18:2(9Z,12Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: 12E,16E-octadecadienoic acid
SMILES: OC(=O)CCCCCCCCCC/C=C/CC/C=C/C
Compound: PS(15:0/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 12alpha-Hydroxy-3-oxochola-1,4,6-trien-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@](C1)([C@@]4(C(C=C3)=CC(=O)C=C4)C)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: PG(18:4(6Z,9Z,12Z,15Z)/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)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: 4-Hydroxy-5,7,4'-trimethoxyflavan
SMILES: O1C(CC(O)C2=C1C=C(OC)C=C2OC)C3=CC=C(OC)C=C3
Compound: PG(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)(OC[C@@H](O)CO)(O)=O
Compound: 15-octadecene-9,11,13-triynoic acid
SMILES: OC(=O)CCCCCCCC#CC#CC#CC=CCC
Compound: (S)-gamma-Calacorene
SMILES: C1(C2=C(C(C(C)C)=CC1)C=C(C=C2)C)C
Compound: 5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid
SMILES: O1C(=CC=C1C(=O)C#C\C=C\CC)/C=C/C(O)=O
Compound: PA(12:0/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Compound: Flaccidine
SMILES: O1C2=C(C(=O)C(OC(=O)/C(/C)=C\C)=C1C3=CC(OC)=C(OC)C=C3)C(O)=CC(O)=C2OC
Compound: 7-(Methylthio)heptanenitrile
SMILES: S(CCCCCCC#N)C
Compound: 8-C-Methylvelloquercetin 3,5,3'-trimethyl ether
SMILES: O1C(CC2=C1C(=C3OC(=C(OC)C(=O)C3=C2OC)C4=CC(OC)=C(O)C=C4)C)C(C)=C
Compound: 4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
SMILES: O1[C@@H]([C@@H](O)[C@@H](OC)C=2C1=C(C(O)=CC2OC)CC=C(C)C)C3=CC=C(O)C=C3
Compound: 7-octynoic acid
SMILES: OC(=O)CCCCCC#C
Compound: [2-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid
SMILES: S(OC1C(OCC(O)C1O)C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=CC=C4)(O)(=O)=O
Compound: OH-Chlorobactene glucoside
SMILES: O1[C@@H](OC(CCC/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(=C(C=CC2C)C)C)\C)\C)(C)C)C(O)C(O)[C@H](O)[C@H]1CO
Compound: Isoorientin 6''-O-glucoside
SMILES: O1C(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)CO)[C@@H](O)[C@H](O)C(O)[C@@]1(C3=C(O)C4=C(OC(=CC4=O)C5=CC(O)=C(O)C=C5)C=C3O)[H]
Compound: Neodulin
SMILES: O1C2C(C=3C1=CC=4OCOC4C3)COC5=C2C=C6C(OC=C6)=C5
Compound: PG(P-18:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: N-Desmethylpromazine
SMILES: S1C=2C(N(CCCNC)C=3C1=CC=CC3)=CC=CC2
Compound: 1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine
SMILES: P(OC[C@H](OCCCCCCCCC1CC2C3C(C4C3CC4)C2CC1)COCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: OKDdiA-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PRIM-O-GLUCOSYLCIMIFUGIN
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC=2OC=3C(=C(OC)C=4C[C@](OC4C3)(C(O)(C)C)[H])C(=O)C2)CO
Compound: N-(3-hydroxy-eicosanoyl)-homoserine lactone
SMILES: OC(CCCCCCCCCCCCCCCCC)CC(=O)N[C@H]1CCOC1=O
Compound: Evasterioside A
SMILES: S(OC[C@H]([C@@H](\C=C\[C@H]([C@@]1([C@@]2([C@]([C@@]3(O)[C@@]([C@@]4([C@@]([C@H](O)C3)(C[C@@H](O[C@@H]5OC[C@@H](O)C(O)[C@@H]5O)CC4)[H])C)(CC2)[H])([C@@H](O)C1)[H])C)[H])C)C)C)([O-])(=O)=O.[Na+]
Compound: Yinyanghuo D
SMILES: O1C(C2=CC(CC=C(C)C)=C(O)C=C2)=CC(=O)C=3C1=CC(O)=CC3O
Compound: PA(22:0/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: 7-heptadecynoic acid
SMILES: OC(=O)CCCCCC#CCCCCCCCCC
Compound: 1-(2-methoxy-16Z-tricosenyl)-sn-glycero-3-phosphoserine
SMILES: P(OC[C@H](O)COCC(OC)CCCCCCCCCCCCC/C=C\CCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 7alpha,11alpha-Dihydroxy-4(13),8-coloratadien-12,11-olide
SMILES: O1[C@@H](O)C=2[C@@]3([C@@](C[C@@H](O)C2C1=O)(C([C@H](CC3)C)=C)[H])C
Compound: 5beta-Cholestane-3alpha,26-diol
SMILES: O[C@H]1C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(CO)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H]
Compound: Isophylloflavanine
SMILES: O1[C@@H]([C@@H](OC(=O)C[C@@H](O)CCC2=CC(O)=C(O)C=C2)CC=3C=4OC(=O)C[C@H](C4C(O)=CC13)C5=CC(O)=C(O)C=C5)C6=CC(O)=C(O)C=C6
Compound: Isoorientin 3',6''-di-O-glucoside
SMILES: O1C(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)CO)[C@@H](O)[C@H](O)C(O)[C@@]1(C3=C(O)C4=C(OC(=CC4=O)C5=CC(O[C@@H]6OC([C@@H](O)[C@H](O)C6O)CO)=C(O)C=C5)C=C3O)[H]
Compound: Quercetin 3-(2'',3'',4''-triacetylgalactoside)
SMILES: O1C([C@H](OC(=O)C)C(OC(=O)C)C(OC(=O)C)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO
Compound: PKODA-PG
SMILES: P(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 11-Methyl-9Z,12-tridecadienyl acetate
SMILES: O(CCCCCCCC/C=C\C(C)C=C)C(=O)C
Compound: PS(13:0/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OC[C@@H](O)CO)(O)=O
Compound: 2,6-Dimethyl-2,4-heptadiene
SMILES: C(/C=C/C=C(C)C)(C)C
Compound: PA(18:2(9Z,12Z)/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)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: 4,8,12-Trimethyl-1,3E,7E,11-tridecatetraene
SMILES: C(C/C(=C/CC)/C)\C=C(\CCC=C(C)C)/C
Compound: 16:0-Glc-Stigmasterol
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@H](C)/C=C/[C@H](C(C)C)CC)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[C@@H]5OC([C@@H](O)C(O)C5O)COC(=O)CCCCCCCCCCCCCCC
Compound: DG(17:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: N-Monodemethyl roxithromycin
SMILES: O([C@@H]1[C@H]([C@H](O[C@@H]2OC([C@H](O)C(OC)C2)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](\C(=N\OCOCCOC)\[C@@H](C[C@]1(O)C)C)C)C)CC)=O)C)C)[C@@H]3O[C@@H](CC(NC)C3O)C
Compound: 6,9,12,15,18-Tetracosapentaynoic acid
SMILES: OC(=O)CCCCC#CCC#CCC#CCC#CCC#CCCCCC
Compound: OKOOA-PS
SMILES: P(OC[C@H](OC(=O)CCCC(=O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC[N+](C)(C)C)(OC[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)([O-])=O
Compound: 8,9-Epoxy-2Z-decene-4,6-diynoic acid
SMILES: O1C(C1C#CC#C/C=C\C(O)=O)C
Compound: Cer(d16:2(4E,6E)/22:1(13Z)(2OH))
SMILES: OC(CCCCCCCCCC/C=C\CCCCCCCC)C(=O)N[C@H]([C@H](O)/C=C/C=C/CCCCCCCCC)CO
Compound: Cyanidin 3-(2''-glucuronosylglucoside)
SMILES: O(C1C(O)[C@H](O)C(O[C@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO)[C@@H]5OC([C@@H](O)C(O)[C@H]5O)C(O)=O
Compound: 16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(OC2=CC=C(NC(=O)C3=CC=C(NC(=O)C)C=C3)C=C2)=O)/C=C/[C@@H](O)C(CCCC)(C)C
Compound: 12Z-Nonadecen-9-one
SMILES: O=C(CCCCCCCC)CC/C=C\CCCCCC
Compound: 5-Ethyl-3-methyl-2E,4E,6E-nonatriene
SMILES: C(\CC)(=C\C(\C)=C\C)/C=C/CC
Compound: Malyngamide J
SMILES: O1[C@]2([C@@]1([C@H](OC3OCC(OC)C(O)C3OC)C=C(C2=O)C)[H])C(CCNC(=O)CC/C=C/C[C@@H](OC)CCCCCCC)=C
Compound: Isotrinervidiol
SMILES: O[C@@H]1[C@@]2([C@]3([C@@](CC2)(C(=CCC[C@@H](CCC(=C3C)[C@H]1O)C)C)[H])[H])C
Compound: OHOOA-PA
SMILES: P(OC[C@H](OC(=O)CCCC(O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: Malyngamide T
SMILES: Cl\C=C(\CNC(=O)CC\C=C\C[C@@H](OC)CCCCCCC)/CC=1OC(=O)C=C(OC)C1
Compound: 8,4'-Dihydroxyisoflavone
SMILES: O1C2=C(C(=O)C(C3=CC=C(O)C=C3)=C1)C=CC=C2O
Compound: 1-O-(2R-methoxy-4Z-pentadecenyl)-sn-glycerol
SMILES: O(C[C@H](OC)C/C=C\CCCCCCCCCC)C[C@@H](O)CO
Compound: Diphenylphosphine Acid
SMILES: P(=O)(CCCCC(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: PS(14:1(9Z)/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)CCCCCCC/C=C\CCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[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\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PHHdiA-PG
SMILES: P(OC[C@H](OC(=O)CCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: O-hexanoyl-adenosine monophosphate
SMILES: P(OC[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)C(O)[C@H]1O)(OC(=O)CCCCC)(O)=O
Compound: 9,10-epoxy-11,13-docosadiynoic acid
SMILES: O1C(C1C#CC#CCCCCCCCC)CCCCCCCC(O)=O
Compound: Adonixanthin 3'-beta-D-glucoside/ Adonixanthin 3'-glucoside
SMILES: O([C@H]1CC(C(=C(C1)C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\C=2C(C[C@H](O)C(=O)C2C)(C)C)/C)/C)(C)C)[C@@H]3O[C@@H]([C@@H](O)C(O)C3O)CO
Compound: 3,4,5-trihydroxy-6-({4-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)oxane-2-carboxylic acid
SMILES: O1C(CC(O)C=2C1=CC(OC)=C(C2OC3OC(C(O)C(O)C3O)C(O)=O)C(=O)/C=C/C4=CC=C(O)C=C4)(C)C
Compound: Bavachalcone
SMILES: OC=1C(CC=C(C)C)=CC(=C(O)C1)C(=O)/C=C/C2=CC=C(O)C=C2
Compound: 6-[4-(6-carboxy-5-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-3-methylcyclohex-3-en-1-yl)-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(OC2=CC(O)=C(C3C(C(C=C(C3)C)C4=C(O)C=C(C=C4O)C=5OC6=C(C5)C=CC(O)=C6CC=C(C)C)C(O)=O)C=C2)C(O)C(O)C(O)C1C(O)=O
Compound: PA(P-16:0/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)CO/C=C\CCCCCCCCCCCCCC)(O)(O)=O
Compound: 7R-hydroxy-hexadecanoic acid
SMILES: O[C@H](CCCCCCCCC)CCCCCC(O)=O
Compound: Latanoprost (free acid)-d4
SMILES: O[C@H]1[C@@H]([C@H]([C@@H](O)C1)C/C=C\C(C(CC(O)=O)([2H])[2H])([2H])[2H])CC[C@@H](O)CCC2=CC=CC=C2
Compound: PHDdiA-PE
SMILES: P(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: N-(2E,4E,10E,12Z-tetradecatetraen-8-yn-oyl) isobutylamine
SMILES: O=C(NCC(C)C)/C=C/C=C/CCC#C/C=C/C=C\C
Compound: (25R)-1beta,3alpha,7alpha-trihydroxy-5beta-cholestan-27-oyl taurine
SMILES: S(O)(=O)(=O)CCNC(=O)[C@@H](CCC[C@H](C1[C@@]2(C(C3C([C@@]4([C@](CC3O)(C[C@H](O)C[C@H]4O)[H])C)CC2)CC1)C)C)C
Compound: 2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol
SMILES: O([C@H]1[C@@]2([C@@]([C@](C1)([C@@H](CCCC(C)C)C)[H])(CC[C@]3([C@]2([C@@H](OC(=O)C)C=C4[C@@]3(C[C@@H](OC(=O)C)[C@@H](O)C4)C)[H])[H])COC(=O)C)[H])C(=O)C
Compound: Type IV cyanolipid 18:2 ester
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(C(C)=C)C#N
Compound: PS(20:1(11Z)/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\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PI(O-16:0/18:4(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)COCCCCCCCCCCCCCCCC)(O)=O
Compound: 5alpha-Cholestane-3alpha,7alpha,25-triol
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCCC(O)(C)C)C)[H])(CC[C@@]2([C@@]4([C@@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: 2-(5-hexadecylfuran-2-yl)-acetic acid
SMILES: O1C(CCCCCCCCCCCCCCCC)=CC=C1CC(O)=O
Compound: 6-Ethyl-4-methyl-3E,5E,7E-decatriene
SMILES: C(\CC)(=C\C(=C\CC)\C)/C=C/CC
Compound: 24,24-difluoro-25-hydroxyvitamin D3
SMILES: FC(F)(CC[C@H](C1[C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@H](O)CCC3=C)[H])C)C)C(O)(C)C
Compound: DG(8:0/10:0/0:0)
SMILES: O([C@H](COC(=O)CCCCCCC)CO)C(=O)CCCCCCCCC
Compound: Nostoxanthin sulfate
SMILES: S(O[C@H]1[C@H](O)C(C(=C(C1)C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\C=2C([C@@H](O)[C@H](O)CC2C)(C)C)/C)/C)(C)C)([O-])(=O)=O.[Na+]
Compound: PE(O-20:0/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: Caesalpinin N
SMILES: O[C@]12[C@@]([C@@]3([C@@]([C@@H](O)C1)([C@@H](C4=C(OC=C4)C3)C(=O)C)[H])[H])([C@@H](OC(=O)C)CCC2(C)C)C
Compound: PA(19:3(10Z,13Z,16Z)/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: OOB-PG
SMILES: P(OC[C@H](OC(=O)CCC=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PA(14:1(9Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)(O)=O
Compound: PG(O-18:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: TG(19:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCC)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\C/C=C\C/C=C\CC
Compound: 1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoethanolamine
SMILES: P(OC[C@H](O)COCC(OC)CCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: (5Z,9Z)-2-methoxy-hexacosadienoic acid
SMILES: O(C(CC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)C(O)=O)C
Compound: PE(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[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)(OCCN)(O)=O
Compound: 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-1-phenylpropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
SMILES: S(C(C(O)CC1=C(OC)C=C(O)C=C1)C2=CC=CC=C2)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Compound: 5,4'-Dihydroxy-6,7,8-trimethoxyflavanone
SMILES: O1C(CC(=O)C=2C1=C(OC)C(OC)=C(OC)C2O)C3=CC=C(O)C=C3
Compound: PI(13:0/20:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCC)(O)=O
Compound: 3-hydroxyoct-3-enoylglycine
SMILES: O/C(=C\CCCC)/CC(=O)NCC(O)=O
Compound: N-cis-tetradec-9Z-enoyl-L-Homoserine lactone
SMILES: O1CC[C@H](NC(=O)CCCCCCC/C=C\CCCC)C1=O
Compound: PS(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PA(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)(O)(O)=O
Compound: Tetramethylquercetin 3-rutinoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC3=C(C2=O)C(OC)=CC(OC)=C3)C4=CC(OC)=C(OC)C=C4)COC5OC(C(O)C(O)C5O)C
Compound: 3Z,6Z-Eicosadiene
SMILES: C(CCCCCC/C=C\C/C=C\CC)CCCCCC
Compound: 1-O-(2R-methoxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenyl)-sn-glycerol
SMILES: O(C[C@H](OC)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@@H](O)CO
Compound: 3-Hydroxyvecuronium
SMILES: O([C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C[C@H](O)[C@@H](N5CCCCC5)C4)[H])C)(CC2)[H])[H])(C[C@@]1([N+]6(CCCCC6)C)[H])[H])C)C(=O)C
Compound: PG(O-20:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 12-[5]-ladderane-dodecanoic acid
SMILES: OC(=O)CCCCCCCCCCCC1C2C3C(C4C3C5C4CC5)C2C1
Compound: 10-hydroxy-8E-Decene-4,6-diynoic acid
SMILES: OC(=O)CCC#CC#C\C=C\CO
Compound: OOV-PC
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: 24:3(5Z,9Z,17Z)(15Me,19Me,23Me)
SMILES: OC(=O)CCC/C=C\CC/C=C\CCCCC(C/C=C\C(CCCC(C)C)C)C
Compound: PE(13:0/22:6(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)CCCCCCCCCCCC)(OCCN)(O)=O
Compound: 1-(2-methoxy-tetracosanyl)-sn-glycero-3-phosphoserine
SMILES: P(OC[C@H](O)COCC(OC)CCCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PI(13:0/12:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(O)=O
Compound: Crotalarin
SMILES: O1C(CCC2=C1C=C(O)C3=C2OC=C(C3=O)C4=CC=C(O)C=C4)(C)C
Compound: PS(12:0/22:6(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)CCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 4'-Hydroxy-5,7,2'-trimethoxyflavanone 4'-rhamnosyl-(1->6)-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC(OC)=C(C3OC4=C(C(=O)C3)C(OC)=CC(OC)=C4)C=C2)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Compound: Bacteriorubixanthinal
SMILES: O[C@H]1CC(C(=C(C1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(\C=C\C=C(\C=C\CC(OC)(C)C)/C)/C=O)\C)(C)C
Compound: 1-butyl-2-ethylcyclopentane
SMILES: C1(C(CCC1)CC)CCCC
Compound: PHOOA-PA
SMILES: P(OC[C@H](OC(=O)CCCC(O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Compound: PS(P-20:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TBS-Corey Lactone Aldehyde
SMILES: [Si](O[C@H]1[C@@H]([C@@]2([C@@](OC(=O)C2)(C1)[H])[H])C=O)(C(C)(C)C)(C)C
Compound: 3-Oxo-5beta-chol-1-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])[H])(C)C=C1)[H]
Compound: Kurilensoside J
SMILES: O[C@]12[C@]3([C@@]([C@](C[C@@H]3O)([C@@H](CC[C@H](O[C@@H]4O[C@@H](O)C(O)C4O)C(C)C)C)[H])(CC[C@@]1([C@@]5([C@@]([C@H](O)C2)([C@@H](O)[C@@H](O[C@@H]6OC[C@@H](O)C(O)C6OC)CC5)[H])C)[H])C)[H]
Compound: Aragusteroketal
SMILES: O[C@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(CC(OC)(OC)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@](O)(CC[C@H]([C@]5([C@@H](C5)C)[H])C)C)[H])[H])C
Compound: N-(13-methyl-tetradecanoyl)-capnine
SMILES: S(O)(=O)(=O)C[C@H](NC(=O)CCCCCCCCCCCC(C)C)[C@H](O)CCCCCCCCCCCC(C)C
Compound: S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione
SMILES: S(C1[C@H](/C(/C(O)C1)=C\C[C@@H](O)CCCCC)C/C=C\CCCC(O)=O)C[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O
Compound: 3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid
SMILES: O1C(OC=2C=C(C3OC=4C(CC3O)=C(O)C=C(O)C4)C=CC2OC)C(O)C(O)C(O)C1C(O)=O
Compound: 1,2-Benzenediol, 4-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-, (3S-trans)-
SMILES: FC1=CC=C([C@H]2[C@@H](CNCC2)COC3=CC(O)=C(O)C=C3)C=C1
Compound: 2,15,16-trihydroxy palmitic acid
SMILES: OC(CCCCCCCCCCCCCC(O)O)C(O)=O
Compound: Delphinidin 3-glucoside-5-(6-acetylglucoside)
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=CC(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=C([O+]=C3C=C(O)C2)C5=CC(O)=C(O)C(O)=C5)COC(=O)C
Compound: PG(12:0/20:5(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)CCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Triphyllin A
SMILES: O1[C@@H](OC2=C3[C@@H](O)C[C@@H](OC3=C(C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=C2CO)C)C5=CC=C(OC)C=C5)C(O)[C@@H](O)[C@H](O)C1CO
Compound: Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside
SMILES: O([C@H]1[C@@H](O)C(O[C@@H](OC2=C3C(OC(=CC3=O)C4=CC=C(OC)C=C4)=CC(OC)=C2OC)C1O)CC)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)C
Compound: Brosimacutin F
SMILES: OC(C(O)CC=1C=2OC(=CC(=O)C2C=CC1O)C3=CC=C(O)C=C3)(C)C
Compound: PI(19:1(9Z)/0:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(O)=O
Compound: 13Z,17-Octadecadiene-9,11-diynoic acid
SMILES: OC(=O)CCCCCCCC#CC#C/C=C\CCC=C
Compound: Kurilensoside G
SMILES: O[C@]12[C@]3([C@@]([C@]([C@@H](O)[C@@H]3O)([C@@H](CCC[C@@H](CO)C)C)[H])(CC[C@@]1([C@@]4(C(=CC2)[C@@H](O)[C@@H](O[C@@H]5OC[C@@H](O)C(O)[C@@H]5O)CC4)C)[H])C)[H]
Compound: 3,7,12-Trioxo-5beta-chol-1-en-24-oic Acid
SMILES: O=C1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3=O)(CC(=O)C=C4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: PI(P-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)CO/C=C\CCCCCCCCCCCCCC)(O)=O
Compound: ethyl 5R,6R-epoxy-9E-eicosen-7-ynoate
SMILES: O1[C@@H]([C@H]1C#C\C=C\CCCCCCCCCC)CCCC(OCC)=O
Compound: 16-dimethylarsinoyl-9Z-hexadecenoic acid
SMILES: [As](=O)(CCCCCC/C=C\CCCCCCCC(O)=O)(C)C
Compound: PE(14:1(9Z)/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: PA(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[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)(O)(O)=O
Compound: PGP(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P(OC[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)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: 4-[5]-ladderane-butanoic acid
SMILES: OC(=O)CCCC1C2C3C(C4C3C5C4CC5)C2C1
Compound: Acetyl Podocarpic Acid Anhydride
SMILES: O(C(=O)[C@@]1([C@]2([C@](CCC1)(C3=C(CC2)C=CC(OC(=O)C)=C3)C)[H])C)C(=O)[C@@]4([C@]5([C@](CCC4)(C6=C(CC5)C=CC(OC(=O)C)=C6)C)[H])C
Compound: PS(P-20:0/20:5(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\CCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 1-(2-methoxy-hexadecanyl)-sn-glycero-3-phosphoethanolamine
SMILES: P(OC[C@H](O)COCC(OC)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PI(O-18:0/0:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COCCCCCCCCCCCCCCCCCC)(O)=O
Compound: PI(15:0/22:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(O)=O
Compound: CPA(18:0)
SMILES: P1(O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO1)(O)=O
Compound: PS(18:2(9Z,12Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PE-Cer(d16:1(4E)/23:0)
SMILES: P(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCC)(OCCN)(O)=O
Compound: Cyanidin 3-lathyroside
SMILES: O(C1C(O)[C@@H](O)C(O[C@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO)[C@@H]5OC[C@@H](O)C(O)[C@H]5O
Compound: PE(O-18:0/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: FK-866
SMILES: O=C(N1CCC(CC1)CCCCNC(=O)/C=C/C=2C=CC=NC2)C3=CC=CC=C3
Compound: 6E,8E,14E-Hexadecatriene-10,12-diynoic acid
SMILES: OC(=O)CCCC/C=C/C=C/C#CC#C\C=C\C
Compound: AMC Arachidonoyl Amide
SMILES: O1C2=C(C(=CC1=O)C)C=CC(NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=C2
Compound: Geranioloxyalatum flavone
SMILES: OC(CCCC(CCOC1=C(O)C=C(C=C1)C=2OC=3C(C(=O)C2O)=C(O)C(OC)=C(OC)C3)C)(C)C
Compound: Mucocin
SMILES: O1C(CCC1CCCCCCCC(O)CC2=CC(OC2=O)C)C(O)CCC(O)C3OC(C(O)CC3)CCCCCCCCCC
Compound: (25S)-5alpha-cholestan-3beta,6beta,15alpha,16beta,26-pentol
SMILES: O[C@@H]1[C@@]2([C@@]([C@]([C@H]1O)([C@@H](CCC[C@@H](CO)C)C)[H])(CC[C@]3([C@]2(C[C@@H](O)[C@@]4([C@@]3(CC[C@H](O)C4)C)[H])[H])[H])C)[H]
Compound: 3-oxo-heneicosanoic acid
SMILES: O=C(CCCCCCCCCCCCCCCCCC)CC(O)=O
Compound: 11Z,13-Tetradecadienal
SMILES: O=CCCCCCCCCC/C=C\C=C
Compound: Dinorhyodeoxycholic acid
SMILES: O[C@@H]1[C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@H](C)C(O)=O)[H])(CC3)C)[H])(C1)[H])[H])(CC[C@@H](O)C2)C)[H]
Compound: L-Isoleucic acid
SMILES: O[C@@H]([C@H](CC)C)C(O)=O
Compound: PI(13:0/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC)(O)=O
Compound: 11-Hydroperoxy-H4-neuroprostane
SMILES: O1O[C@]2([C@@H]([C@@H]([C@@]1(C2)[H])CCC(O)=O)/C=C/[C@@H](OO)C/C=C\C/C=C\C/C=C\CC)[H]
Compound: 9,12-Heptadecadienoic acid
SMILES: OC(=O)CCCCCCCC=CCC=CCCCC
Compound: 12alpha-Hydroxy-7-oxo-5alpha-cholan-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3=O)(CCCC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 1-(2-methoxy-docosanyl)-sn-glycero-3-phosphoethanolamine
SMILES: P(OC[C@H](O)COCC(OC)CCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: Clandestacarpin
SMILES: O1C2C(O)(C3=C1C=C(O)C=C3)COC4=C2C=CC=5OC(=CC45)C(C)=C
Compound: 1-(2-methoxy-tetradecanyl)-sn-glycero-3-phosphoserine
SMILES: P(OC[C@H](O)COCC(OC)CCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: (S)-2-trans-abscisic acid
SMILES: CC(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O
Compound: PS(14:0/22:4(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)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Ipurolic acid
SMILES: OC(CCCCCCCC(O)CC(O)=O)CCC
Compound: Ethyl 3-iodo-2E-acrylate
SMILES: I\C=C\C(OCC)=O
Compound: 5alpha-cholestan-3alpha,12alpha,16alpha-triol
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(C[C@@H](O)[C@@]2([C@@H](CCCC(C)C)C)[H])[H])C
Compound: (20S,22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid
SMILES: O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](C)/C=C/C(O)=O)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Compound: 3-O-(Rhaa1-2Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol
SMILES: O([C@@H]1[C@@H]([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O[C@@H]5OC([C@@H](O)[C@H](O)C5O[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C)CO)CC4)C)(CC2)[H])[H])(C1)[H])C)CC)C(CC[C@H](CO[C@@H]7OC([C@@H](O)[C@H](O)C7O)CO)C)=C
Compound: Homodeoxycholic acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@H](C)C(=O)CCC(O)=O)[H])[H])C
Compound: DG(11D5/11M5/0:0)
SMILES: O1C(CCCCCCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCC=2OC(CCCCC)=CC2C)CO)=O)=C(C(=C1CCCCC)C)C
Compound: 9,10,11-trihydroxy-12Z-octadecenoic acid
SMILES: O[C@@H](CCCCCCCC(O)=O)[C@H](O)[C@H](O)/C=C\CCCCCC
Compound: Isoneobavachalcone
SMILES: O(C1=C(C=C(C(O)=C1)C=O)C(=O)/C=C/C2=CC=C(O)C=C2)C
Compound: 6,7-dihydro-12-epi-LTB4
SMILES: O[C@H](CCCC(O)=O)CC\C=C\C=C\[C@H](O)C/C=C\CCCCC
Compound: Egregiachloride B
SMILES: Cl[C@H]([C@]1([C@@H]([C@H]2O[C@H]2C1)/C=C\CCCCCCCC(O)=O)[H])CC
Compound: (Z)-1,5-Tridecadiene
SMILES: C(CCCC)CC/C=C/CCC=C
Compound: PG(O-18:0/22:6(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)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PS(14:1(9Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(22:4(7Z,10Z,13Z,16Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 3S,7S-dimethyl-2S-tetradecanol
SMILES: O[C@H]([C@H](CCC[C@H](CCCCCCC)C)C)C
Compound: Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside
SMILES: O1C([C@H](OC(=O)/C=C/C2=CC=C(O)C=C2)C(OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C
Compound: Amaronol A
SMILES: O1C(O)(CC2=CC(O)=C(O)C(O)=C2)C(=O)C=3C1=CC(O)=CC3O
Compound: 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[10-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
SMILES: S(C1C(OC2=C(C1O)C=3OC(=O)C(=CC3C=C2)C4=C(O)C=C(OC)C=C4)(C)C)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Compound: PS(13:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PI(O-18:0/19:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(O)=O
Compound: Dihomolithocholic acid
SMILES: O[C@H]1C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCCC(O)=O)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H]
Compound: PC(O-12:0/O-1:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC)COCCCCCCCCCCCC)([O-])=O
Compound: 3alpha,7alpha,12alpha-Trihydroxy-5beta-chol-9(11)-en-24-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])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: Dihomo-gamma-linolenoyl dopamine
SMILES: O=C(NCCC1=CC(O)=C(O)C=C1)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(P-16:0/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: DG(14:0/0:0/14:0) (d5)
SMILES: O(C(=O)CCCCCCCCCCCCC)C(C(O)(C(OC(=O)CCCCCCCCCCCCC)([2H])[2H])[2H])([2H])[2H]
Compound: PE(22:2(13Z,16Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(P-16:0/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: 8,12-dihydroxy-9-chloro-5Z,10Z,14Z,17Z-eicosatetraenoic acid
SMILES: ClC(C(O)C/C=C\CCCC(O)=O)/C=C\C(O)C/C=C\C/C=C\CC
Compound: alpha-N-(3-hydroxyoctadecanoyl)-L-ornithine
SMILES: OC(CCCCCCCCCCCCCCC)CC(=O)N[C@H](CCCN)C(O)=O
Compound: PS(18:4(6Z,9Z,12Z,15Z)/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)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Compound: L-L-Homoglutathione
SMILES: SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O
Compound: N-(4-isobutyramidobutyl)-15-methyl-N-(4-pentanamidobutyl)hexadec-6E-enamide
SMILES: O=C(N(CCCCNC(=O)C(C)C)CCCCNC(=O)CCCC)CCCC\C=C\CCCCCCCC(C)C
Compound: 9,10-epoxy-11-hydroxy-12-octadecenoic acid
SMILES: O1C(C1C(O)/C=C/CCCCC)CCCCCCCC(O)=O
Compound: PHODA-PA
SMILES: P(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Compound: 6-methyl- 4E-decene
SMILES: C(CCCC)(/C=C/CCC)C
Compound: N-(2-phenoxy-ethyl) arachidonoyl amine
SMILES: O(CCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C1=CC=CC=C1
Compound: Castillene E
SMILES: OC(CC1=CC=CC=C1)C(=O)C2=C(O)C3=C(OC=C3)C=C2
Compound: Olitorin
SMILES: OC12C3C(C4(C(O)(CC3)CC(OC5OC(C(OC6OC(C(O)C(O)C6O)CO)C(O)C5)C)CC4)C=O)CCC1(C(CC2)C=7COC(=O)C7)C
Compound: Unonal
SMILES: O1C2=C(C(O)=C(C(O)=C2C)C=O)C(=O)C=C1C3=CC=CC=C3
Compound: Myrtine
SMILES: O=C1CC2N(C(C1)C)CCCC2
Compound: 11-methoxy-12,13-epoxy-9-octadecenoic acid
SMILES: O1C(C1C(OC)/C=C/CCCCCCCC(O)=O)CCCCC
Compound: (+)-Scalarin
SMILES: O[C@@H]1[C@]2(C([C@]3(C([C@@]4(C(CC3)C(CCC4)(C)C)C)C1)C)CC=C5[C@@]2([C@@H](OC5=O)O)[H])C
Compound: 1-(2-methoxy-tricosanyl)-sn-glycero-3-phosphoethanolamine
SMILES: P(OC[C@H](O)COCC(OC)CCCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: Bargustanine
SMILES: O(C1=C2C(N(CCC2=CC(OC)=C1O)C)C(O)C3=CC(O)=C(O)C=C3)C=4C=C5C(CCN(C5)C)=CC4OC
Compound: 2-(4-Methyl-5-thiazolyl)ethyl formate
SMILES: S1C(CCOC=O)=C(N=C1)C
Compound: PG(17:1(9Z)/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 4-hydroxy-5-(2,4,5-trihydroxyphenyl)pentanoic acid
SMILES: OC(CC=1C(O)=CC(O)=C(O)C1)CCC(O)=O
Compound: PIP[5'](17:0/20:4(5Z,8Z,11Z,14Z))
SMILES: P(O[C@H]1C(O)C(OP(O)(O)=O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)=O
Compound: PC(13:0/18:3(6Z,9Z,12Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC)([O-])=O
Compound: 3,4-dimethyl-5-carboxybutyl-2-furanpentanoic acid
SMILES: O1C(CCCCC(O)=O)=C(C(=C1CCCCC(O)=O)C)C
Compound: PI(12:0/13:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)(O)=O
Compound: 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1O[C@@H](CCCCCCCCCCC)C(O)=O)CO[C@@H]2OC([C@H](O)[C@H](O)C2O)CO
Compound: 2-[3]-ladderane ethanoic acid
SMILES: OC(=O)CC1CC2C3C(C4C3CC4)C2CC1
Compound: Asiaticoside B
SMILES: O[C@H]1[C@@]2([C@@]([C@@]3([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[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@H]([C@H](O)[C@@H](O)[C@H]8O)C)[C@H](O)[C@H]7O)CO)=O)[H])=CC3)C)(C1)C)[H])(C[C@@H](O)[C@H](O)[C@]2(CO)C)C)[H]
Compound: 6-bromo-docosa-5E,9Z-dienoic acid
SMILES: Br/C(/CC/C=C\CCCCCCCCCCCC)=C/CCCC(O)=O
Compound: cis-Lachnophyllic acid
SMILES: OC(=O)/C=C\C#CC#CCCC
Compound: N-(16,16-dimethy-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
SMILES: O=C(NCCO)CCC/C=C\C/C=C\C/C=C\C/C=C\C(CCCCCC)(C)C
Compound: 12Z,15Z-heneicosadienoic acid
SMILES: OC(=O)CCCCCCCCCC/C=C\C/C=C\CCCCC
Compound: PI(19:1(9Z)/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)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(O)=O
Compound: OHOHA-PE
SMILES: P(OC[C@H](OC(=O)CCC(O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: Syringetin 3-glucuronide
SMILES: O1[C@@H](OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)C(O)C(O)[C@H](O)[C@H]1C(O)=O
Compound: PI(16:0/21:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: Phomopsin A
SMILES: ClC=1C(O)=C2O[C@@]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC)[C@@H](O)C(=C2)C1)C(C)=C)C(=O)N3[C@@H](C=CC3)C(=O)N/C(=C(/CC)\C)/C(=O)N/C(=C/C(O)=O)/C(O)=O)(CC)C
Compound: 9S,10R-Epoxy-6Z-nonadecene
SMILES: O1[C@@H]([C@@H]1C/C=C\CCCCC)CCCCCCCCC
Compound: PA(14:1(9Z)/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)(O)=O
Compound: Nomilinic acid
SMILES: O1C23C4(C(C(C(CC4=O)C(O)(C)C)(C(OC(=O)C)CC(O)=O)C)CCC2(C(OC(=O)C13)C=5C=COC5)C)C
Compound: Ajenoic acid
SMILES: OC(=O)C/C=C\C=C/C=C\C=C/C=C
Compound: Micropine
SMILES: O[C@H]1[C@H](N[C@@H](CC1)/C=C/C=C/C=C/CCCC)CO
Compound: Adunctin B
SMILES: O1[C@@]2([C@@](C[C@@H](C(C)C)C=C2)(C=3C1=C(C(O)=CC3OC)C(=O)CCC4=CC=CC=C4)[H])C
Compound: 5beta-Cholest-25-ene-3alpha,7alpha,12alpha,23-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])(CC[C@@]2([C@@H](CC(O)CC(C)=C)C)[H])[H])C
Compound: OHOHA-PI
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCC(O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: Sempervirenoside A
SMILES: O(C1[C@@H](OC(=O)C)C(O[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=C3CC=C(C)C)C5=CC=C(OC)C=C5)[C@H]1O)C)[C@@H]6OC[C@@H](O)[C@H](OC(=O)C)C6O
Compound: PI(20:4(5Z,8Z,11Z,14Z)/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)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: (-)-Euphomine
SMILES: O[C@@]12[C@]([C@@H](OC3=CC=CC=C3)[C@H](C1)C)(C=C(C(OC(=O)C)CC(OC(=O)C)C(C=C[C@@H](C2OC(=O)C)C)(C)C)C)[H]
Compound: PA(12:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Compound: 25-Hydroxy-6,19-dihydro-6,19-ethanovitamin D3
SMILES: O[C@@H]1C(\C=C/2\[C@]3([C@@]([C@](CC3)([C@@H](CCCC(O)(C)C)C)[H])(CCC2)C)[H])C4=C(CC1)CCCC4
Compound: 24-Methylcycloart-23-en-3beta-yl acetate
SMILES: O(C1C(C2C3(C4(C3)C(C5(C(CC4)(C(CC5)C(C/C=C(/C(C)C)\C)C)C)C)CC2)CC1)(C)C)C(=O)C
Compound: (6-carboxy-3,4,5-trihydroxyoxan-2-yl)[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7H-chromen-7-ylidene]oxidanium
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3[O+]=C(C(O)=CC3=C(O)C2)C4=CC(O)=C(O)C=C4)C(O)=O
Compound: C.I. Acid Blue 3
SMILES: [Ca+2].S([O-])(=O)(=O)C=1C(C(C2=CC=C(N(CC)CC)C=C2)=C3C=CC(=[N+](CC)CC)C=C3)=CC(O)=C(S([O-])(=O)=O)C1.S([O-])(=O)(=O)C=1C(C(C2=CC=C(N(CC)CC)C=C2)=C3C=CC(=[N+](CC)CC)C=C3)=CC(O)=C(S([O-])(=O)=O)C1
Compound: Vitexin 2''-O-(2'''-methylbutyryl)
SMILES: O1[C@](C(OC(=O)C(CC)C)[C@@H](O)[C@H](O)C1CO)(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)[H]
Compound: Acacetin 7-rhamnosyl-(1->4'')[glucosyl-(1->6'')(6'''-acetylsophoroside)]
SMILES: O1C([C@@H](O[C@@H]2OC([C@H](O)[C@H](O)C2O)C)[C@H](O)C(O[C@@H]3OC([C@@H](O)C(O)C3O)COC(=O)C)[C@@H]1OC=4C=C5OC(=CC(=O)C5=C(O)C4)C6=CC=C(OC)C=C6)CO[C@@H]7OC([C@@H](O)C(O)[C@H]7O)CO
Compound: OHHdiA-PS
SMILES: P(OC[C@H](OC(=O)CCC(O)/C=C/C(O)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(O-20:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 6-hydroxy-7E,9Z-Octadecadiene-11,13,15,17-tetraynoic acid
SMILES: OC(CCCCC(O)=O)/C=C/C=C\C#CC#CC#CC#C
Compound: Momorcharaside A
SMILES: O(C1C(C=2[C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O)(C)C)C)[H])(CC3)C)C)CC2)C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO
Compound: (24E),26-hydroxydesmosterol
SMILES: O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC/C=C(/CO)\C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Compound: YM-53601
SMILES: Cl.FC(=C1C2CCN(CC2)C1)COC3=CC=4NC=5C(C4C=C3)=CC=CC5
Compound: 3S,7S-dimethyl-2-hexadecanol
SMILES: O[C@H]([C@H](CCC[C@H](CCCCCCCCC)C)C)C
Compound: Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside
SMILES: O(C1[C@@H](O)[C@H](O[C@@H]2OC([C@@H](O)[C@H](O)C2O)CO)C(O[C@H]1OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC(O)=C(O)C=C5)COC(=O)CC(O)=O)[C@@H]6OCC(O)([C@@H]6O)CO
Compound: 16-heptadecenoic acid
SMILES: OC(=O)CCCCCCCCCCCCCCC=C
Compound: PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)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: (E)-5-(hexa-3,5-dien-1-yn-1-yl)-5'-(prop-1-yn-1-yl)-2,2'-bithiophene
SMILES: S1C(C=2SC(=CC2)C#CC)=CC=C1C#C/C=C/C=C
Compound: DMABA-d4 NHS ester
SMILES: O(N1C(=O)CCC1=O)C(=O)C2=C(C(=C(N(C)C)C(=C2[2H])[2H])[2H])[2H]
Compound: Tephrowatsin B
SMILES: O1C=2C(CC=C(C)C)=C(OC)C=C(OC)C2C=C[C@H]1C3=CC=CC=C3
Compound: PA(18:4(6Z,9Z,12Z,15Z)/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)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: 4,5-epoxy-17R-HDHA
SMILES: O1C(C1/C=C/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CC)CCC(O)=O
Compound: 1,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-2-(9,12-octadecadiynoyl)-sn-glycerol
SMILES: O1[C@@H]([C@H]1C#CC#CCCC(O[C@@H](OC(=O)CCCCCCCC#CCC#CCCCCC)COC(=O)CCC#CC#C[C@H]2O[C@@H]2CCC\C=C/C=C\CC)=O)CCC/C=C\C=C/CC
Compound: Flavaprenin 7,4'-diglucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(C=3OC(CC(=O)C3C(O)=C2)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4)CC=C(C)C)CO
Compound: PI(O-18:0/22:6(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)COCCCCCCCCCCCCCCCCCC)(O)=O
Compound: 6-undecynoic acid
SMILES: OC(=O)CCCCC#CCCCC
Compound: PI(15:0/22:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(O)=O
Compound: 5alpha,6beta-dihydroxy-24-methylenecholestan-3-one
SMILES: O[C@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(C(C)C)=C)C)[H])(CC3)C)[H])(C[C@H]1O)[H])[H])(CCC(=O)C2)C
Compound: GlcCer(d14:1/18:0)
SMILES: O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCC)CO
Compound: PI(17:2(9Z,12Z)/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)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(O)=O
Compound: 4-Butyl-5-propylthiazole
SMILES: S1C(=C(N=C1)CCCC)CCC
Compound: 3-O-(Rhaa1-4Glcb)-26-O-(Glcb)-(25R)-spirost-5-en-3beta-ol
SMILES: O([C@@H]1[C@@H]([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O[C@@H]5OC([C@@H](OC6OC(C(O)C(O)C6O)C)[C@H](O)C5O)CO)CC4)C)(CC2)[H])[H])(C1)[H])C)CC)[C@@]7(OC[C@@H](CC7)C)C
Compound: PA(P-16:0/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCC)(O)(O)=O
Compound: 6-({8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(OC2=C3C(OC(=O)C=C3C4=CC=CC=C4)=C5C(OC(C=C5)(C)C)=C2)C(O)C(O)C(O)C1C(O)=O
Compound: N-(15-methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoyl)-glycine
SMILES: O([C@H](CCCCCCCCCCCC(C)C)CC(=O)NCC(O)=O)C(=O)CCCCCCCCCCCC(C)C
Compound: PG(P-18:0/20:5(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\CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: (E)-octadeca-15,17-dien-9,11,13-triynoic acid
SMILES: OC(=O)CCCCCCCC#CC#CC#C/C=C/C=C
Compound: Epicatechin 3,5-di-O-gallate
SMILES: O1[C@@H]([C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)CC3=C1C=C(O)C=C3OC(=O)C4=CC(O)=C(O)C(O)=C4)C5=CC(O)=C(O)C=C5
Compound: 4'-Hydroxyisolonchocarpin
SMILES: O1C(CC(=O)C2=C1C3=C(OC(C=C3)(C)C)C=C2)C4=CC=C(O)C=C4
Compound: Quercetin 3,7-di-O-sulfate
SMILES: S(OC1=C(OC=2C(C1=O)=C(O)C=C(OS(O)(=O)=O)C2)C3=CC(O)=C(O)C=C3)(O)(=O)=O
Compound: 9Z,11E-Tetradecadienyl acetate
SMILES: O(CCCCCCCC/C=C\C=C\CC)C(=O)C
Compound: PGP(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/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\CCCCC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: 7,10,13,16,19-Docosapentaynoic acid
SMILES: OC(=O)CCCCCC#CCC#CCC#CCC#CCC#CCC
Compound: Gondoyl-linolenate
SMILES: O(CCCCCCCCCC/C=C\CCCCCCCCCC)C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(12:0/20:5(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)CCCCCCCCCCC)(OCCN)(O)=O
Compound: Calopogoniumisoflavone B
SMILES: O1C(C=CC2=C1C=CC3=C2OC=C(C3=O)C4=CC=5OCOC5C=C4)(C)C
Compound: 3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES: O1C(C(O)C(O)C(O)C1OC2=C3C(OC=C(C3=O)C4=CC(OC)=C(OC)C=C4)=C(C(OC)=C2)C)CO
Compound: Curcumin dimer 1
SMILES: O1C(C(C(=C1/C=C/C2=CC(OC)=C(O)C=C2)C(=O)/C=C/C3=CC(OC)=C(O)C=C3)C(=O)/C=C(\O)/C=C/C4=CC(OC)=C(O)C=C4)C5=CC(OC)=C(O)C=C5
Compound: Rutaretin 9-rutinoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=3OC(CC3C=C4C2OC(=O)C=C4)C(O)(C)C)COC5OC(C(O)C(O)C5O)C
Compound: Isolimocitrol 3-glucoside
SMILES: O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C(OC)=C(O)C3OC)C4=CC(O)=C(OC)C=C4)CO
Compound: PA(O-16:0/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PG(14:1(9Z)/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\CCCC)(OC[C@@H](O)CO)(O)=O
Compound: PC(17:1(9Z)/14:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)([O-])=O
Compound: PS(16:0/18:4(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)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Sitosteryl glucoside
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@H](C(C)C)CC)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[C@@H]5OC([C@@H](O)C(O)C5O)CO
Compound: (2S,3R,4E,8E)-3-Hydroxy-2-[methyl(stearoyl)amino]-4,8-octadecadien-1-yl hydrogen sulfate
SMILES: S(OC[C@H](N(C(=O)CCCCCCCCCCCCCCCCC)C)[C@H](O)/C=C/CC\C=C\CCCCCCCCC)(O)(=O)=O
Compound: (25R)-5alpha,8alpha-epidioxy-24R,26-cyclo-cholest-6,22E-dien-3beta-ol
SMILES: O1O[C@]23[C@@]([C@@]4([C@@]1([C@]5([C@@]([C@](CC5)([C@H](C)/C=C/[C@H]6[C@@H](C6)C)[H])(CC4)C)[H])C=C2)[H])(CC[C@H](O)C3)C
Compound: PG(20:4(5Z,8Z,11Z,14Z)/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 1,16-Heptadecadien-3-one
SMILES: O=C(CCCCCCCCCCCCC=C)CC
Compound: 4,8,11,14-Eicosatetraynoic acid
SMILES: OC(=O)CCC#CCCC#CCC#CCC#CCCCCC
Compound: PG(O-18:0/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(13:0/15:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCC)(O)=O
Compound: (3b,6a,12b,20S,23E)-Dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside
SMILES: O(C1C2C(C3C(C4(C(C(CC4)C(OC5OC(C(O)C(O)C5O)CO)(C/C=C/C(O)(C)C)C)C(O)C3)C)(C1)C)(CCC(O)C2(C)C)C)C6OC(C(O)C(O)C6O)CO
Compound: 7alpha,25,27-trihydroxycholesterol
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCCC(O)(CO)C)C)[H])(CC[C@@]2([C@@]4(C(=C1)C[C@@H](O)CC4)C)[H])C)[H])[H]
Compound: Octadeca-9,16-dien-12,14-diynoic acid
SMILES: OC(=O)CCCCCCC/C=C\CC#CC#C/C=C\C
Compound: PA(P-18:0/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(O)(O)=O
Compound: 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside]
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C=3OC(=CC(=O)C3C(O)=C2)C4=CC(O)=C(O)C=C4)COC(=O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)C
Compound: Cyanidin 3-(6''-dioxalylglucoside)
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)C(OC(=O)C(O)=O)=O
Compound: beta-Dolabrin
SMILES: OC=1C(=O)C=C(C(C)=C)C=CC1
Compound: 6-Hydroxyindoramin
SMILES: O=C(NC1CCN(CC1)CCC=2C3=C(NC2)C=C(O)C=C3)C4=CC=CC=C4
Compound: 3Z-dodecenedioic acid
SMILES: OC(=O)CCCCCCC/C=C\CC(O)=O