MonarchInit/C3PO huggingface dataset:
Compound: 4,5-hexadienal
SMILES: O=CCCC=C=C
Compound: Imidazol-2-one
SMILES: O=C1N=CC=N1
Compound: 4-Methyl-1,2-dihydroxypentane
SMILES: OC(CC(C)C)CO
Compound: 1,1-Diethoxyethane
SMILES: O(C(OCC)C)CC
Compound: 1,5-Hexanediol
SMILES: OC(CCCCO)C
Compound: 4-Methylnonanoic acid
SMILES: OC(=O)CCC(CCCCC)C
Compound: Propyl heptanoate
SMILES: O(C(=O)CCCCCC)CCC
Compound: (Z)-1-(1-Ethoxyethoxy)-3-hexene
SMILES: O(C(OCC)C)CC/C=C/CC
Compound: 2-Methylbutyl 3-methylbutanoate
SMILES: O(CC(CC)C)C(=O)CC(C)C
Compound: trans-p-Menthane-1,8-diol
SMILES: OC1(CCC(CC1)C(O)(C)C)C
Compound: 1-alpha-D-galactosyl-sn-glycerol 3-phosphate
SMILES: OC[C@H]1O[C@H](OC[C@@H](O)COP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O
Compound: (1R,2S,3S,4R)-p-Menthane-2,3-diol
SMILES: OC1C(CCC(C1O)C)C(C)C
Compound: 3-Methylbutyl pentanoate
SMILES: O(CCC(C)C)C(=O)CCCC
Compound: 1,1-Diethoxy-2-hexene
SMILES: O(C(OCC)\C=C\CCC)CC
Compound: 2-Methylbutyl 2-methylbutanoate
SMILES: O(CC(CC)C)C(=O)C(CC)C
Compound: 3-Methylbutyl 2-methylbutanoate
SMILES: O(CCC(C)C)C(=O)C(CC)C
Compound: 3-Octyl acetate
SMILES: O(C(CCCCC)CC)C(=O)C
Compound: Isooctyl acetate
SMILES: O(CCCCCC(C)C)C(=O)C
Compound: Acetaldehyde 1,3-octanediol acetal
SMILES: O1C(CCCCC)CCOC1C
Compound: Ethyl 2-ethylhexanoate
SMILES: O(C(=O)C(CCCC)CC)CC
Compound: Hexanal butane-2,3-diol acetal
SMILES: O1C(OC(C1C)C)CCCCC
Compound: Heptanal propyleneglycol acetal
SMILES: O1C(OCC1C)CCCCCC
Compound: 4-Ethyloctanoic acid
SMILES: OC(=O)CCC(CCCC)CC
Compound: 2,6-Dimethyl-7-octene-2,6-diol
SMILES: OC(CCCC(O)(C)C=C)(C)C
Compound: Hexyl 2-methylpropanoate
SMILES: O(CCCCCC)C(=O)C(C)C
Compound: (1S,3R,4R)-p-Menthane-1,3-diol
SMILES: OC1(CC(O)C(CC1)C(C)C)C
Compound: 2-methyl nonaoic acid
SMILES: OC(=O)C(CCCCCCC)C
Compound: 2-Pentyl 3-methylbutanoate
SMILES: O(C(CCC)C)C(=O)CC(C)C
Compound: neostigmine bromide
SMILES: [Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Compound: formyl 4-methyl-octanoate
SMILES: O(C(=O)CCC(CCCC)C)C
Compound: ethyl 4-methyl-heptanoate
SMILES: O(C(=O)CCC(CCC)C)CC
Compound: 2-Hydroxydecan-3-one
SMILES: OC(C(=O)CCCCCCC)C
Compound: 3-Hydroxydecan-2-one
SMILES: OC(CCCCCCC)C(=O)C
Compound: 2S-Hydroxydecan-3-one
SMILES: O[C@H](C(=O)CCCCCCC)C
Compound: 7-methyl-nonanoic acid
SMILES: OC(=O)CCCCCC(CC)C
Compound: 2-Ethoxy-4-(methoxymethyl)phenol
SMILES: O(C=1C=C(COC)C=CC1O)CC
Compound: Isoamyl 2-furoate
SMILES: O(CCC(C)C)C(=O)C=1OC=CC1
Compound: Furfuryl isovalerate
SMILES: O(C(=O)CC(C)C)CC=1OC=CC1
Compound: Verimol J
SMILES: OC(CC1=C(O)C=C(OC)C=C1)C
Compound: 4-Ethyl-2,6-dimethoxyphenol
SMILES: O(C1=CC(CC)=CC(OC)=C1O)C
Compound: Furfuryl pentanoate
SMILES: O(C(=O)CCCC)CC=1OC=CC1
Compound: 5-(2-hydroxyethyl)-4-methylthiazole
SMILES: Cc1ncsc1CCO
Compound: 4-(Ethoxymethyl)-2-methoxyphenol
SMILES: O(CC1=CC(OC)=C(O)C=C1)CC
Compound: 10-oxo-5,8-decadienoic acid
SMILES: OC(=O)CCC/C=C/C/C=C/C=O
Compound: [12]-Gingerdione
SMILES: O=C(CCCCCCCCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1
Compound: N-butanoyl-lhomoserine lactone
SMILES: O1CCC(NC(=O)CCC)C1=O
Compound: chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3
SMILES: ClC1=CC=C(N2N=C(C=C2N)C)C=C1
Compound: N-Nitroso-3-hydroxypyrrolidine
SMILES: OC1CCN(N=O)C1
Compound: Juzirine
SMILES: O(C=1C=C2C(C(=NC=C2)CC3=CC=C(O)C=C3)=CC1O)C
Compound: Glutaminyl-Phenylalanine
SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)C(N)CCC(=O)N
Compound: Phenylalanyl-Gamma-glutamate
SMILES: O=C(NC(=O)CCC(N)C(O)=O)C(N)CC1=CC=CC=C1
Compound: 2-Bromo-1H-indole-3-carboxaldehyde
SMILES: BrC=1NC=2C(C1C=O)=CC=CC2
Compound: 1,4-Dithiane-2,5-diol
SMILES: S1C(O)CSC(O)C1
Compound: 3'-Amino-3'-deoxythimidine
SMILES: O1C(C(N)CC1N2C=C(C(=O)NC2=O)C)CO
Compound: 4-Hydroxymethylpyrazole
SMILES: OCC1=CNN=C1
Compound: 2-Pentadecylfuran
SMILES: O1C(CCCCCCCCCCCCCCC)=CC=C1
Compound: 6Z,9Z-Nonadecadien-3-one
SMILES: O=C(CC/C=C\C/C=C\CCCCCCCCC)CC
Compound: 9R,10S-Epoxy-3Z,6Z-nonadecadiene
SMILES: O1[C@@H]([C@@H]1C/C=C\C/C=C\CC)CCCCCCCCC
Compound: 9S,10R-Epoxy-3Z,6Z-nonadecadiene
SMILES: O1[C@H]([C@H]1C/C=C\C/C=C\CC)CCCCCCCCC
Compound: 6R,7S-Epoxy-3Z,9Z-nonadecadiene
SMILES: O1[C@@H]([C@@H]1C/C=C\CC)C/C=C\CCCCCCCCC
Compound: 6S,7R-Epoxy-3Z,9Z-nonadecadiene
SMILES: O1[C@H]([C@H]1C/C=C\CC)C/C=C\CCCCCCCCC
Compound: oxidized Renilla luciferin
SMILES: C=1(C=CC(=CC1)O)C=2C=NC(=C(N2)CC=3C=CC=CC3)NC(=O)CC=4C=CC=CC4
Compound: 9S,10R-Epoxy-6Z,12Z-nonadecadiene
SMILES: O1[C@@H]([C@@H]1C/C=C\CCCCC)C/C=C\CCCCCC
Compound: 3R,4S-Epoxy-6Z,9Z-nonadecadiene
SMILES: O1[C@@H]([C@@H]1C/C=C\C/C=C\CCCCCCCCC)CC
Compound: 3S,4R-Epoxy-6Z,9Z-nonadecadiene
SMILES: O1[C@H]([C@H]1C/C=C\C/C=C\CCCCCCCCC)CC
Compound: trans-4S,5S-Epoxy-6Z,9Z-nonadecadiene
SMILES: O1[C@H]([C@@H]1/C=C\C/C=C\CCCCCCCCC)CCC
Compound: cis-6S,7R-Epoxy-9Z,12Z-nonadecadiene
SMILES: O1[C@H]([C@H]1C/C=C\C/C=C\CCCCCC)CCCCC
Compound: Tyrosyl-Proline
SMILES: O=C(N1C(CCC1)C(O)=O)C(N)CC2=CC=C(O)C=C2
Compound: 3'-O-Methyl-(-)-epicatechin-7-O-sulphate
SMILES: S(OC=1C=C2OC(C(O)CC2=C(O)C1)C3=CC(OC)=C(O)C=C3)(O)=O
Compound: delta1-nonen-3-ol
SMILES: OC(CCCCCC)C=C
Compound: 6E-Nonen-1-ol
SMILES: OCCCCC/C=C/CC
Compound: 3Z-Nonen-1-ol
SMILES: OCC/C=C\CCCCC
Compound: 3-oxopropanoic acid
SMILES: [H]C(=O)CC(O)=O
Compound: (Z)-2-Nonen-1-ol
SMILES: OC/C=C\CCCCCC
Compound: 2-Nonen-1-ol
SMILES: OCC=CCCCCCC
Compound: 3,5,5-Trimethylhexanal
SMILES: O=CCC(CC(C)(C)C)C
Compound: 2-Methyloctanal
SMILES: O=CC(CCCCCC)C
Compound: Nonan-4-one
SMILES: O=C(CCCCC)CCC
Compound: Nonan-3-one
SMILES: O=C(CCCCCC)CC
Compound: 2,6-Dimethyl-6-hepten-1-ol
SMILES: OCC(CCCC(C)=C)C
Compound: 6-Nonen-2-ol
SMILES: OC(CCC/C=C/CC)C
Compound: 6Z-Nonen-2S-ol
SMILES: O[C@H](CCC/C=C\CC)C
Compound: 6Z-Nonen-2R-ol
SMILES: O[C@@H](CCC/C=C\CC)C
Compound: farnesyl triphosphate
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(=O)OP(O)(O)=O
Compound: 2,4-Dimethyl-5-hepten-1-ol
SMILES: OCC(CC(C)/C=C/C)C
Compound: 3,4-Dimethylheptan-2-one
SMILES: O=C(C(C(CCC)C)C)C
Compound: 7-Methyloctan-3-one
SMILES: O=C(CCCC(C)C)CC
Compound: 2-Methyloctan-4-one
SMILES: O=C(CC(C)C)CCCC
Compound: 3-Methyloctan-2-one
SMILES: O=C(C(CCCCC)C)C
Compound: 4-Methyloctan-3-one
SMILES: O=C(C(CCCC)C)CC
Compound: 6-Methyloctan-3-one
SMILES: O=C(CCC(CC)C)CC
Compound: formyl octadecanoate
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C=O
Compound: 4-Hydroxy-6-nonadecanone
SMILES: OC(CC(=O)CCCCCCCCCCCCC)CCC
Compound: 6-Hydroxy-4-nonadecanone
SMILES: OC(CCCCCCCCCCCCC)CC(=O)CCC
Compound: 4,14-dimethyl-heptadecanoic acid
SMILES: OC(=O)CCC(CCCCCCCCCC(CCC)C)C
Compound: 3-Methyl-3-butenyl tetradecanoate
SMILES: O(C(=O)CCCCCCCCCCCCC)CCC(C)C
Compound: pentadecyl butyrate
SMILES: O(CCCCCCCCCCCCCCC)C(=O)CCC
Compound: Heptadecyl acetate
SMILES: O(CCCCCCCCCCCCCCCCC)C(=O)C
Compound: 4-methyl-octadecanoic acid
SMILES: OC(=O)CCC(CCCCCCCCCCCCCC)C
Compound: 7-methyl-octadecanoic acid
SMILES: OC(=O)CCCCCC(CCCCCCCCCCC)C
Compound: 11-methyl-octadecanoic acid
SMILES: OC(=O)CCCCCCCCCC(CCCCCCC)C
Compound: 14-methyl-octadecanoic acid
SMILES: OC(=O)CCCCCCCCCCCCC(CCCC)C
Compound: 13-methyl-octadecanoic acid
SMILES: OC(=O)CCCCCCCCCCCC(CCCCC)C
Compound: 9-methyl-octadecanoic acid
SMILES: OC(=O)CCCCCCCC(CCCCCCCCC)C
Compound: 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
SMILES: CN1CCC(=CC1)c1ccccc1
Compound: 8-methyl-octadecanoic acid
SMILES: OC(=O)CCCCCCC(CCCCCCCCCC)C
Compound: 15-methyl-octadecanoic acid
SMILES: OC(=O)CCCCCCCCCCCCCC(CCC)C
Compound: 2,8-dioxoadenine
SMILES: NC1=C2NC(=O)NC2=NC(=O)N1
Compound: 3-Acetyldihydro-2(3H)-furanone
SMILES: O1CCC(C1=O)C(=O)C
Compound: p-O-glucuronide rosiglitazone
SMILES: S1C(CC2=CC=C(OCCN(C3=NC=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3)C)C=C2)C(=O)NC1=O
Compound: Acrylamide-acrylic acid resin
SMILES: O=C(N)C=C.OC(=O)C=C
Compound: 5-ethyl-5-methyl-1,3-oxazolidine-2,4-dione
SMILES: CCC1(C)OC(=O)NC1=O
Compound: 4-hydroxy-crotonic acid
SMILES: OC/C=C/C(O)=O
Compound: 4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan
SMILES: O1[C@H](C[C@@H](C2=C1C=C(OC)C=C2)/C=C/C3=CC=C(O)C=C3)C4=CC=C(O)C=C4
Compound: N-(2-Methylpropyl)acetamide
SMILES: O=C(NCC(C)C)C
Compound: pipecolic acid
SMILES: OC(=O)C1CCCCN1
Compound: Lettowianthine
SMILES: O1C=2C3=C4C=5N(CCC4=CC2OC1)C(=O)C(=O)C5C=6C3=CC=CC6
Compound: Norsanguinarine
SMILES: O1C=2C=3C(=C4C(=NC3)C=5C(C=C4)=CC=6OCOC6C5)C=CC2OC1
Compound: Hildgardtene
SMILES: O1C(CC=2C1=CC(OC)=C3C2O[C@@H](C=C3)C4=CC=CC=C4)C(C)=C
Compound: DL-4-hydroxy caproic acid
SMILES: OC(CCC(O)=O)CC
Compound: 1,2,3,4-Tetrahydro-6-propanoylpyridine
SMILES: O=C(C=1NCCCC1)CC
Compound: 5-Pentyloxazole
SMILES: O1C(CCCCC)=CN=C1
Compound: 9-Azabicyclo[3.3.1]nonan-3-one
SMILES: O=C1CC2NC(CCC2)C1
Compound: 2,4-Dimethyl-5-propyloxazole
SMILES: O1C(CCC)=C(N=C1C)C
Compound: 4,5-Dimethyl-2-propyloxazole
SMILES: O1C(=NC(=C1C)C)CCC
Compound: 4-Butyl-2-methyloxazole
SMILES: O1C=C(N=C1C)CCCC
Compound: isoorientin
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
Compound: 4,5-Dimethyl-2-(1-methylethyl)oxazole
SMILES: O1C(=NC(=C1C)C)C(C)C
Compound: 4,5-Diethyl-2-methyloxazole
SMILES: O1C(=C(N=C1C)CC)CC
Compound: 2-Pentyloxazole
SMILES: O1C(=NC=C1)CCCCC
Compound: 5-hexen-2-one
SMILES: O=C(CCC=C)C
Compound: 2-Ethyl-4-(2-furanyl)-2-propenal
SMILES: O1C(/C=C(\CC)/C=O)=CC=C1
Compound: 2-(2-Furanyl)-3-methyl-2-butenal
SMILES: O1C(C(=C(C)C)C=O)=CC=C1
Compound: o-Tolyl acetate
SMILES: O(C=1C(=CC=CC1)C)C(=O)C
Compound: (E)-5-(3,4,5,6-Tetrahydro-3-pyridylidenemethyl)-2-furanmethanol
SMILES: O1C(\C=C/2\CCCN=C2)=CC=C1CO
Compound: 3'-carboxy-alpha-chromanol
SMILES: O1CCC(O)C=2C1=CC=CC2
Compound: 2'-Hydroxy-5'-methylacetophenone
SMILES: OC1=C(C=C(C=C1)C)C(=O)C
Compound: cyclohexyl isocyanide
SMILES: [C-]#[N+]C1CCCCC1
Compound: Zeanoside B
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=3NC(=O)C=C(C3C=CC2)C(O)=O)CO
Compound: Xanthurenate-8-O-beta-D-glucoside
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H]1OC=2C=3NC(=CC(=O)C3C=CC2)C(O)=O)CO
Compound: S-Propyl 2-propene-1-sulfinothioate
SMILES: S(S(=O)CC=C)CCC
Compound: S-2-Propenyl 1-propanesulfinothioate
SMILES: S(SCC=C)(=O)CCC
Compound: R-Propyl 1-propenesulfinothioate
SMILES: S(S(=O)/C=C\C)CCC
Compound: R-1-Propenyl 1-propanesulfinothioate
SMILES: S(S/C=C\C)(=O)CCC
Compound: 11Z-Eicosenal
SMILES: O=CCCCCCCCCC/C=C\CCCCCCCC
Compound: 7Z-Eicosen-11-one
SMILES: O=C(CCCCCCCCC)CC/C=C\CCCCCC
Compound: 6Z-Eicosen-11-one
SMILES: O=C(CCCCCCCCC)CCC/C=C\CCCCC
Compound: 9R,10S-Epoxy-6Z-eicosene
SMILES: O1[C@@H]([C@@H]1C/C=C\CCCCC)CCCCCCCCCC
Compound: 5-Methyl-6-hydroxyluteolinidin
SMILES: [O+]=1C=2C(C(OC)=C(O)C(O)C2)C=CC1C3=CC(O)=C(O)C=C3
Compound: N-Acetyl desmethyl frovatriptan
SMILES: O=C(NC1CC2C(NC3=C2C=C(C=C3)C(=O)N)CC1)C
Compound: 3-Phenylpropionaldoxim
SMILES: O/N=C\CCC1=CC=CC=C1
Compound: 2-Dodecylcyclobutanone
SMILES: O=C1C(CC1)CCCCCCCCCCCC
Compound: 10E-Hexadecenal
SMILES: O=CCCCCCCCC/C=C/CCCCC
Compound: 2Z-hexadecenal
SMILES: O=C/C=C\CCCCCCCCCCCCC
Compound: 4E,6Z-Hexadecadien-1-ol
SMILES: OCCC\C=C\C=C/CCCCCCCCC
Compound: 11Z,13Z-Hexadecadien-1-ol
SMILES: OCCCCCCCCCC\C=C/C=C\CC
Compound: 7Z,11Z-Hexadecadien-1-ol
SMILES: OCCCCCC/C=C\CC/C=C\CCCC
Compound: 11Z,13E-Hexadecadien-1-ol
SMILES: OCCCCCCCCCC\C=C/C=C/CC
Compound: 7Z,11E-Hexadecadien-1-ol
SMILES: OCCCCCC/C=C\CC/C=C/CCCC
Compound: 1,3-Hexadecadien-1-ol
SMILES: O\C=C\C=C\CCCCCCCCCCCC
Compound: 7Z-Hexadecenal
SMILES: O=CCCCCC/C=C\CCCCCCCC
Compound: 9Z-Hexadecenal
SMILES: O=CCCCCCCC/C=C\CCCCCC
Compound: 10Z-Hexadecenal
SMILES: O=CCCCCCCCC/C=C\CCCCC
Compound: 12Z-Hexadecenal
SMILES: O=CCCCCCCCCCC/C=C\CCC
Compound: 7-hexadecenal
SMILES: O=CCCCCC\C=C\CCCCCCCC
Compound: 9-hexadecenal
SMILES: O=CCCCCCCC/C=C/CCCCCC
Compound: 10E,12E-Hexadecadien-1-ol
SMILES: OCCCCCCCCC/C=C/C=C/CCC
Compound: 11E,13Z-Hexadecadien-1-ol
SMILES: OCCCCCCCCCC/C=C/C=C\CC
Compound: sedoheptulose 1,7-bisphosphate
SMILES: O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O
Compound: 11E,13E-Hexadecadien-1-ol
SMILES: OCCCCCCCCCC/C=C/C=C/CC
Compound: 7,11-hexadecadien-1-ol
SMILES: OCCCCCC/C=C/CC/C=C/CCCC
Compound: 6E,11Z-hexadecadien-1-ol
SMILES: OCCCCC/C=C/CCC/C=C\CCCC
Compound: 10-propyl-5,9-tridecadien-1-ol
SMILES: OCCCC\C=C\CCC=C(CCC)CCC
Compound: 1,15-Hexadecadien-3-one
SMILES: O=C(CCCCCCCCCCCC=C)CC
Compound: 1-Hexadecen-3-one
SMILES: O=C(CCCCCCCCCCCCC)C=C
Compound: 2-Methyl-2-buten-1-ol
SMILES: OC/C(/C)=C/C
Compound: xi-3-Methyl-3-buten-2-ol
SMILES: OC(C(C)=C)C
Compound: 2-Methylenebutan-1-ol
SMILES: OCC(CC)=C
Compound: 3-Methylbutan-2-one
SMILES: O=C(C(C)C)C
Compound: 3L,7D,11D-phytanic acid
SMILES: OC(=O)C[C@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
Compound: 5-Hydroxy-7-eicosanone
SMILES: OC(CC(=O)CCCCCCCCCCCCC)CCCC
Compound: 4-Hydroxy-6-eicosanone
SMILES: OC(CC(=O)CCCCCCCCCCCCCC)CCC
Compound: 2,2,6,10,14-Pentamethylpentadecanoic acid
SMILES: OC(=O)C(CCCC(CCCC(CCCC(C)C)C)C)(C)C
Compound: 3,7R,11R,15-tetramethyl-hexadecanoic acid
SMILES: OC(=O)CC(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
Compound: 4,14-dimethyl-octadecanoic acid
SMILES: OC(=O)CCC(CCCCCCCCCC(CCCC)C)C
Compound: 2,14-dimethyl-octadecanoic acid
SMILES: OC(=O)C(CCCCCCCCCCCC(CCCC)C)C
Compound: 6,16-dimethyl-octadecanoic acid
SMILES: OC(=O)CCCCC(CCCCCCCCCC(CC)C)C
Compound: 4,16-dimethyl-octadecanoic acid
SMILES: OC(=O)CCC(CCCCCCCCCCCC(CC)C)C
Compound: 6,14-dimethyl-octadecanoic acid
SMILES: OC(=O)CCCCC(CCCCCCCC(CCCC)C)C
Compound: 14-Methylpentadecyl isobutyrate
SMILES: O(CCCCCCCCCCCCCC(C)C)C(=O)C(C)C
Compound: 3-Methylbutyl pentadecanoate
SMILES: O(C(=O)CCCCCCCCCCCCCC)CCC(C)C
Compound: 3,7-Dimethyl-6-octenyl decanoate
SMILES: O(CCC(CCCC(C)C)C)C(=O)CCCCCCCCC
Compound: 3,7-Dimethyl-6-octenyl 3,7-dimethyl-6-octenoate
SMILES: O(CCC(CCCC(C)C)C)C(=O)CC(CCCC(C)C)C
Compound: 7-Methyloctyl 9-methyldecanoate
SMILES: O(CCCCCCC(C)C)C(=O)CCCCCCCC(C)C
Compound: hexyl tetradecanoate
SMILES: O(C(=O)CCCCCCCCCCCCC)CCCCCC
Compound: tetradecyl hexanoate
SMILES: O(CCCCCCCCCCCCCC)C(=O)CCCCC
Compound: decyl decanoate
SMILES: O(CCCCCCCCCC)C(=O)CCCCCCCCC
Compound: dodecyl octanoate
SMILES: O(CCCCCCCCCCCC)C(=O)CCCCCCC
Compound: hexadecyl butyrate
SMILES: O(CCCCCCCCCCCCCCCC)C(=O)CCC
Compound: Octadecyl acetate
SMILES: O(CCCCCCCCCCCCCCCCCC)C(=O)C
Compound: 17-methyl-nonadecanoic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCC(CC)C
Compound: 19:0(11Me)
SMILES: OC(=O)CCCCCCCCCC(CCCCCCCC)C
Compound: 2-(1,2-Diamino-1-propenyl)phenol
SMILES: OC=1C(\C(\N)=C(\N)/C)=CC=CC1
Compound: 3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide
SMILES: O([C@H]1C[C@]2([C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=O)CC4)C)[H])(CC2)[H])[H])(CC1)C)[H])[C@H]5OC([C@@H](O)C(O)[C@H]5O)C(O)=O
Compound: Dorsmanin C
SMILES: O1C(C=CC=2C1=C(C(O)=C3C2OC(=C(O)C3=O)C4=CC(O)=C(O)C=C4)C/C=C(/CCC=C(C)C)\C)(C)C
Compound: Poinsettifolin A
SMILES: O1C(CCC=C(C)C)(C=CC=2C1=C(C(O)=C3C2OC(=C(O)C3=O)C4=CC(O)=C(O)C=C4)CC=C(C)C)C
Compound: Broussoflavonol D
SMILES: O1C(C=CC2=C(C(C=3OC=4C(C(C)(C)C=C)=C(O)C=C(O)C4C(=O)C3O)=CC(O)=C12)CC=C(C)C)(C)C
Compound: Artocommunol CC
SMILES: O1[C@](C(O)(C)C)(CC2=C(OC=3C4=C(OC(CCC=C(C)C)(C=C4)C)C=C(O)C3C2=O)C5=C1C=C(O)C=C5)[H]
Compound: Euchretin C
SMILES: O1C=2C(C(=O)C=3C=4C(OC13)=C(CC=C(C)C)C(O)=C(O)C4)=C(O)C(=C(O)C2CC=C(C)C)CC=C(C)C
Compound: alpha-D-galactose 1-phosphate
SMILES: OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O
Compound: 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide
SMILES: O([C@H]1C[C@]2([C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=O)CC4)C)[H])(CC2)[H])[H])(CC1)C)[H])[C@@H]5OC([C@@H](O)C(O)[C@@H]5O)C(O)=O
Compound: 3-Nonyl-1H-pyrazole
SMILES: N1N=CC=C1CCCCCCCCC
Compound: 2,8-dimethyl-tetradecanoic acid
SMILES: OC(=O)C(CCCCCC(CCCCCC)C)C
Compound: 2,6-dimethyl-tetradecanoic acid
SMILES: OC(=O)C(CCCC(CCCCCCCC)C)C
Compound: 7-Methyloctyl 5-methylhexanoate
SMILES: O(CCCCCCC(C)C)C(=O)CCCC(C)C
Compound: formyl 2,6,10-trimethyl-dodecanoate
SMILES: O(C(=O)C(CCCC(CCCC(CC)C)C)C)C
Compound: decyl hexanoate
SMILES: O(CCCCCCCCCC)C(=O)CCCCC
Compound: Tetradecyl acetate
SMILES: O(CCCCCCCCCCCCCC)C(=O)C
Compound: 3-methyl-pentadecanoic acid
SMILES: OC(=O)CC(CCCCCCCCCCCC)C
Compound: 3-ethyl-3-methyl-tridecanoic acid
SMILES: OC(=O)CC(CCCCCCCCCC)(CC)C
Compound: 6-ethyl-tetradecanoic acid
SMILES: OC(=O)CCCCC(CCCCCCCC)CC
Compound: 2-heptyl-nonanoic acid
SMILES: OC(=O)C(CCCCCCC)CCCCCCC
Compound: 2-ethyl-2-butyl-decanoic acid
SMILES: OC(=O)C(CCCCCCCC)(CCCC)CC
Compound: 4-hexyl-decanoic acid
SMILES: OC(=O)CCC(CCCCCC)CCCCCC
Compound: 3,5-dimethyl-tetradecanoic acid
SMILES: OC(=O)CC(CC(CCCCCCCCC)C)C
Compound: 13,13-dimethyl-tetradecanoic acid
SMILES: OC(=O)CCCCCCCCCCCC(C)(C)C
Compound: octyl 2-methyl-propionyl
SMILES: O(CCCCCCCC)C(=O)C(C)C
Compound: Isopropyl nonanoate
SMILES: O(C(=O)CCCCCCCC)C(C)C
Compound: Isobutyl octanoate
SMILES: O(CC(C)C)C(=O)CCCCCCC
Compound: (R)-Dihydrocitronellol acetate
SMILES: O(CCC(CCCC(C)C)C)C(=O)C
Compound: 5,10-(methanylylidene)tetrahydromethanopterin
SMILES: [H][C@]12[C@H](C)Nc3nc(N)[nH]c(=O)c3[N+]1=CN([C@@H]2C)c1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)cc1
Compound: Decyl acetate
SMILES: O(CCCCCCCCCC)C(=O)C
Compound: 2-Heptyl butyrate
SMILES: O(C(CCCCC)C)C(=O)CCC
Compound: Pentyl heptanoate
SMILES: O(CCCCC)C(=O)CCCCCC
Compound: Nonanal propyleneglycol acetal
SMILES: O1C(OCC1C)CCCCCCCC
Compound: 2-methyl-undecanoic acid
SMILES: OC(=O)C(CCCCCCCCC)C
Compound: 4-methyl-undecanoic acid
SMILES: OC(=O)CCC(CCCCCCC)C
Compound: 6-methyl-undecanoic acid
SMILES: OC(=O)CCCCC(CCCCC)C
Compound: 5-methyl-undecanoic acid
SMILES: OC(=O)CCCC(CCCCCC)C
Compound: 9-methyl-undecanoic acid
SMILES: OC(=O)CCCCCCCC(CC)C
Compound: 8-methyl-undecanoic acid
SMILES: OC(=O)CCCCCCC(CCC)C
Compound: 3R-methyl-undecanoic acid
SMILES: OC(=O)C[C@@H](CCCCCCCC)C
Compound: PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: PG(17:1(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\CCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(17:2(9Z,12Z)/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\C/C=C\CCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(20:5(5Z,8Z,11Z,14Z,17Z)/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: PG(20:4(5Z,8Z,11Z,14Z)/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PS(14:0/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(15:1(9Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(17:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(17:1(9Z)/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 1,4-benzosemiquinone
SMILES: [O]c1ccc(O)cc1
Compound: PS(19:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(19:1(9Z)/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(21:0/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(22:1(11Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PE(O-16:0/22:6(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)COCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: Heptyl heptanoate
SMILES: O(CCCCCCC)C(=O)CCCCCC
Compound: Nonyl isovalerate
SMILES: O(CCCCCCCCC)C(=O)CC(C)C
Compound: Hexanal octane-1,3-diol acetal
SMILES: O1C(CCCCC)CCOC1CCCCC
Compound: 2,6,10-trimethyl-undecanoic acid
SMILES: OC(=O)C(CCCC(CCCC(C)C)C)C
Compound: decyl butyrate
SMILES: O(CCCCCCCCCC)C(=O)CCC
Compound: 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid
SMILES: Cc1ncc(C(O)=O)c(C(O)=O)c1O
Compound: 3-Methylbutyl nonanoate
SMILES: O(CCC(C)C)C(=O)CCCCCCCC
Compound: Undecanal propyleneglycol acetal
SMILES: O1C(OCC1C)CCCCCCCCCC
Compound: 2,6-dimethyl-dodecanoic acid
SMILES: OC(=O)C(CCCC(CCCCCC)C)C
Compound: 2-methyl-tridecanoic acid
SMILES: OC(=O)C(CCCCCCCCCCC)C
Compound: 4-methyl-tridecanoic acid
SMILES: OC(=O)CCC(CCCCCCCCC)C
Compound: 3R,5S-Dimethyldodecanoic acid
SMILES: OC(=O)C[C@@H](C[C@H](CCCCCCC)C)C
Compound: Decyl isobutyrate
SMILES: O(CCCCCCCCCC)C(=O)C(C)C
Compound: octyl hexanoate
SMILES: O(CCCCCCCC)C(=O)CCCCC
Compound: 9-methyl-tridecanoic acid
SMILES: OC(=O)CCCCCCCC(CCCC)C
Compound: 2-ethyl-dodecanoic acid
SMILES: OC(=O)C(CCCCCCCCCC)CC
Compound: aldehydo-L-xylose
SMILES: [H]C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO
Compound: 2,4-dimethyl-dodecanoic acid
SMILES: OC(=O)C(CC(CCCCCCCC)C)C
Compound: 6-ethyl-dodecanoic acid
SMILES: OC(=O)CCCCCC(CCCCC)CC
Compound: 2,5-dimethyl-dodecanoic acid
SMILES: OC(=O)C(CCC(CCCCCCC)C)C
Compound: 3-methyl-tridecanoic acid
SMILES: OC(=O)CC(CCCCCCCCCC)C
Compound: 2,4,6,8-tetramethyl-decanoic acid
SMILES: OC(=O)C(CC(CC(CC(CC)C)C)C)C
Compound: 3,5-Dimethyldodecanoic acid
SMILES: OC(=O)CC(CC(CCCCCCC)C)C
Compound: (Z)-7-Dodecenyl butyrate
SMILES: O(CCCCCC/C=C\CCCC)C(=O)CCC
Compound: dodecyl 2E-butenoate
SMILES: O(CCCCCCCCCCCC)C(=O)/C=C/C
Compound: ethyl 7E-tetradecenoate
SMILES: O(C(=O)CCCCC\C=C\CCCCCC)CC
Compound: ethyl 9E-tetradecenoate
SMILES: O(C(=O)CCCCCCC/C=C/CCCC)CC
Compound: 3'-phospho-5'-adenylyl sulfate
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O
Compound: ethyl 9Z-tetradecenoate
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)CC
Compound: 11Z-Tetradecenyl acetate
SMILES: O(CCCCCCCCCC/C=C\CC)C(=O)C
Compound: 10Z-Tetradecenyl acetate
SMILES: O(CCCCCCCCC/C=C\CCC)C(=O)C
Compound: 9Z-Tetradecenyl acetate
SMILES: O(CCCCCCCC/C=C\CCCC)C(=O)C
Compound: 5Z-Tetradecenyl acetate
SMILES: O(CCCC/C=C\CCCCCCCC)C(=O)C
Compound: 6Z-Tetradecenyl acetate
SMILES: O(CCCCC/C=C\CCCCCCC)C(=O)C
Compound: 7Z-Tetradecenyl acetate
SMILES: O(CCCCCC/C=C\CCCCCC)C(=O)C
Compound: 8Z-Tetradecenyl acetate
SMILES: O(CCCCCCC/C=C\CCCCC)C(=O)C
Compound: 12Z-Tetradecenyl acetate
SMILES: O(CCCCCCCCCCC/C=C\C)C(=O)C
Compound: 3Z-Tetradecenyl acetate
SMILES: O(CC/C=C\CCCCCCCCCC)C(=O)C
Compound: O-acetyl-L-serine
SMILES: CC(=O)OC[C@H](N)C(O)=O
Compound: 7E-Tetradecenyl acetate
SMILES: O(CCCCCC/C=C/CCCCCC)C(=O)C
Compound: 8E-Tetradecenyl acetate
SMILES: O(CCCCCCC/C=C/CCCCC)C(=O)C
Compound: 12E-Tetradecenyl acetate
SMILES: O(CCCCCCCCCCC/C=C/C)C(=O)C
Compound: 3E-Tetradecenyl acetate
SMILES: O(CC\C=C\CCCCCCCCCC)C(=O)C
Compound: 5E-Tetradecenyl acetate
SMILES: O(CCCC\C=C\CCCCCCCC)C(=O)C
Compound: 6E-Tetradecenyl acetate
SMILES: O(CCCCC\C=C\CCCCCCC)C(=O)C
Compound: 10E-Tetradecenyl acetate
SMILES: O(CCCCCCCCC/C=C/CCC)C(=O)C
Compound: 11E-Tetradecenyl acetate
SMILES: O(CCCCCCCCCC/C=C/CC)C(=O)C
Compound: 9E-Tetradecenyl acetate
SMILES: O(CCCCCCCC/C=C/CCCC)C(=O)C
Compound: Vittatalactone
SMILES: O1[C@]([C@@H](CC(CC(CC(C)C)C)C)C)([C@H](C1=O)C)[H]
Compound: 6-acetamido-3-oxohexanoate
SMILES: CC(=O)NCCCC(=O)CC([O-])=O
Compound: delta-hexadecalactone
SMILES: O1C(CCCCCCCCCCC)CCCC1=O
Compound: 16-Hexadecanolide
SMILES: O1CCCCCCCCCCCCCCCC1=O
Compound: 15R-Hexadecanolide
SMILES: O1[C@@H](CCCCCCCCCCCCCC1=O)C
Compound: 16:1(5Z)
SMILES: OC(=O)CCC/C=C\CCCCCCCCCC
Compound: 15:1(4)(13Me)
SMILES: OC(=O)CC/C=C\CCCCCCCC(CC)C
Compound: cis-10-palmitoleic acid
SMILES: OC(=O)CCCCCCCC/C=C\CCCCC
Compound: 13-hexadecenoic acid
SMILES: OC(=O)CCCCCCCCCCC/C=C/CC
Compound: 10-hexadecenoic acid
SMILES: OC(=O)CCCCCCCC/C=C/CCCCC
Compound: 2Z-hexadecenoic acid
SMILES: OC(=O)/C=C\CCCCCCCCCCCCC
Compound: 2,4-dimethyl-2E-tetradecenoic acid
SMILES: OC(=O)\C(=C\C(CCCCCCCCCC)C)\C
Compound: UDP-L-arabinose
SMILES: O[C@H]1COC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O
Compound: 14-methyl-4-pentadecenoic acid
SMILES: OC(=O)CC/C=C\CCCCCCCCC(C)C
Compound: 6-isopentyl-9-methyl-5-decenoic acid
SMILES: OC(=O)CCCC=C(CCC(C)C)CCC(C)C
Compound: 2-deoxy-ribonic acid
SMILES: OC(CCO)C(O)C(O)=O
Compound: Etaspirene
SMILES: O1C2(C(CCC=C2CC)(C)C)C=CC1C
Compound: 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene
SMILES: O1C2(C(CCC(=C2)C)C(C)C)C=CC1C
Compound: 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
SMILES: O=C(\C(=C\C1C(CCC=C1C)(C)C)\C)C
Compound: delta-Methylionone
SMILES: O=C(\C(=C\C=1C(CCCC1C)(C)C)\C)C
Compound: (+)-Hirusten-12-oic acid
SMILES: O1[C@]23[C@]([C@]4([C@@](C2)(C[C@](OC(O)=O)(C4)C)[H])[H])(C([C@@H](O)[C@@]13[H])=C)C
Compound: Flakinin A
SMILES: O1[C@]2([C@@]3([C@@]4([C@]([C@@H]([C@H]2O)C(C)C)(C(O[C@@]4(C[C@@]3(C1=O)[H])[H])=O)[H])[H])C)[H]
Compound: Isoferulic acid 3-sulfate
SMILES: S(OC1=C(OC)C=CC(=C1)/C=C/C(O)=O)(O)(=O)=O
Compound: 3-Acetylthiophene
SMILES: S1C=C(C(=O)C)C=C1
Compound: 2-Acetylthiophene
SMILES: S1C(=CC=C1)C(=O)C
Compound: 5-Methyl-2-thiophenecarboxaldehyde
SMILES: S1C(=CC=C1C=O)C
Compound: 1-(4-Hydroxyphenylazo)-naphthalene-2,6-diol
SMILES: OC1=C(/N=N/C2=CC=C(O)C=C2)C3=C(C=C1)C=C(O)C=C3
Compound: 1-(3,4-Dihydroxyphenylazo)-2-naphthol
SMILES: OC1=C(/N=N/C2=CC(O)=C(O)C=C2)C=3C(C=C1)=CC=CC3
Compound: (+/-)-3-(Methylthio)heptanal
SMILES: S(C(CCCC)CC=O)C
Compound: 9-hydroxy-7E-Nonene-3,5-diynoic acid
SMILES: OC/C=C/C#CC#CCC(O)=O
Compound: 1-Methoxy-1-pentyloxyethane
SMILES: O(CCCCC)C(OC)C
Compound: (R)-1,3-Octanediol
SMILES: OC(CCCCC)CCO
Compound: 5-oxo-7E-decenoic acid
SMILES: O=C(CCCC(O)=O)C/C=C/CC
Compound: adenosine 3',5'-bismonophosphate
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O
Compound: 9-oxo-2Z-decenoic acid
SMILES: O=C(CCCCC/C=C\C(O)=O)C
Compound: Macrocarposide
SMILES: O1[C@](C(O)[C@@H](O)[C@H](O)C1CO)(C2=C(O)C3=C(OCC(C3=O)C4=C(O)C=C(O)C=C4)C=C2O)[H]
Compound: Isocarthamidin 8-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3OC(CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)CO
Compound: 2,5,7,4'-Tetrahydroxyflavanone 7-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(O)(CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)CO
Compound: Carthamidin 5-glucoside
SMILES: O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(CC3=O)C4=CC=C(O)C=C4)C=C(O)C2O)CO
Compound: Isookaninglucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(O)C=3OC(CC(=O)C3C=C2)C4=CC(O)=C(O)C=C4)CO
Compound: Coccinoside B
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=C(O)C=CC(O)=C4)CO
Compound: Stepposide
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=C(O)C=C(O)C=C4)CO
Compound: Steppogenin 4'-O-beta-D-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC(O)=C(C3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=C2)CO
Compound: 8-C-Glucopyranosyleriodictylol
SMILES: O1[C@]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)(C2=C3OC(CC(=O)C3=C(O)C=C2O)C4=CC(O)=C(O)C=C4)[H]
Compound: Eriodictyol 5-O-glucoside
SMILES: O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(CC3=O)C4=CC(O)=C(O)C=C4)C=C(O)C2)CO
Compound: Eriodictyol 3'-O-glucoside
SMILES: O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C=C(C3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=CC2O)CO
Compound: (2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside
SMILES: O1[C@](C(O)[C@@H](O)[C@H](O)C1CO)(C2=C(O)C3=C(O[C@H](CC3=O)C4=CC(O)=C(O)C=C4)C=C2O)[H]
Compound: (2S)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside
SMILES: O1[C@](C(O)[C@@H](O)[C@H](O)C1CO)(C2=C(O)C3=C(O[C@@H](CC3=O)C4=CC(O)=C(O)C=C4)C=C2O)[H]
Compound: 3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(=C(O)C=C(O)C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO
Compound: 3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC(O)=C(C(O)=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO
Compound: Stillopsin
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(O)C=C(C(O)=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO
Compound: Okanin 3'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(O)=C(C=CC2O)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO
Compound: Marein
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(O)C(O)=C(C=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO
Compound: Maesopsin 6-beta-D-glucopyranoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(O)(C(=O)C3=C(O)C2)CC4=CC=C(O)C=C4)CO
Compound: Hovetrichoside C
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3C(=O)C(OC3C=C(O)C2)(O)CC4=CC=C(O)C=C4)CO
Compound: Dukunolide B
SMILES: O1C23C(OC(=O)C12)(C4(O)C(O)(CC56OC5CCC7(C6=C4C(OC7C=8C=COC8)=O)C)C(=O)C3(C)C)C
Compound: Ikarisoside E
SMILES: O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC=4OC(C=CC34)(C)C)C5=CC=C(O)C=C5)C
Compound: Phylloflavan
SMILES: O1[C@@H]([C@@H](OC(=O)C[C@@H](O)CCC2=CC(O)=C(O)C=C2)CC=3C1=CC(O)=CC3O)C4=CC(O)=C(O)C=C4
Compound: Ethyl 5-methylhexanoate
SMILES: O(C(=O)CCCC(C)C)CC
Compound: 1-Methylbutyl butanoate
SMILES: O(C(CCC)C)C(=O)CCC
Compound: Isopropyl hexanoate
SMILES: O(C(C)C)C(=O)CCCCC
Compound: xi-2-Ethylheptanoic acid
SMILES: OC(=O)C(CCCCC)CC
Compound: 3-Heptyl acetate
SMILES: O(C(CCCC)CC)C(=O)C
Compound: 4-methyl-octanoic acid
SMILES: OC(=O)CCC(CCCC)C
Compound: formyl octanoate
SMILES: O(C(=O)CCCCCCC)C=O
Compound: 1-Hydroxy-3-nonanone
SMILES: O=C(CCCCCC)CCO
Compound: 3-(Hydroxymethyl)-2-octanone
SMILES: OCC(CCCCC)C(=O)C
Compound: 4-Methyl-2-pentyl-1,3-dioxolane
SMILES: O1C(OCC1C)CCCCC
Compound: 3-Octyl formate
SMILES: O(C(CCCCC)CC)C=O
Compound: 5-Methylhexyl acetate
SMILES: O(CCCCC(C)C)C(=O)C
Compound: 2-methyl-octanoic acid
SMILES: OC(=O)C(CCCCCC)C
Compound: 2-Methylpropyl 2-methylbutanoate
SMILES: O(CC(C)C)C(=O)C(CC)C
Compound: 6-oxo-nonan-1-ol
SMILES: CCCC(=O)CCCCCO
Compound: 2-isopropyl-hexanoic acid
SMILES: OC(=O)C(C(C)C)CCCC
Compound: daphnin
SMILES: OC[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 3,5,5-trimethyl-hexanoic acid
SMILES: OC(=O)CC(CC(C)(C)C)C
Compound: 3-methyl-octanoic acid
SMILES: OC(=O)CC(CCCCC)C
Compound: 5-methyl-octanoic acid
SMILES: OC(=O)CCCC(CCC)C
Compound: 6S-methyl-octanoic acid
SMILES: OC(=O)CCCC[C@H](CC)C
Compound: 7:0(6Me,6Me)
SMILES: OC(=O)CCCCC(C)(C)C
Compound: 3,12-dihydroxy palmitic acid
SMILES: OC(CCCCCCCCC(O)CC(O)=O)CCCC
Compound: 9,16-dihydroxy-palmitic acid
SMILES: OC(CCCCCCCC(O)=O)CCCCCCCO
Compound: 2-(2-Hydroxy-4-methylphenyl)-3-pentanone
SMILES: OC1=C(C(C(=O)CC)C)C=CC(=C1)C
Compound: 5-Isopropyl-2-methylphenol acetate
SMILES: O(C=1C=C(C(C)C)C=CC1C)C(=O)C
Compound: 2-Methylpropyl phenylacetate
SMILES: O(CC(C)C)C(=O)CC1=CC=CC=C1
Compound: 1-O-(indol-3-ylacetyl)-beta-D-glucose
SMILES: OC[C@H]1O[C@@H](OC(=O)Cc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid
SMILES: OC(=O)CCC(C1=CC=C(C=C1)C)C
Compound: 2-Benzyl-4,5-dimethyl-1,3-dioxolane
SMILES: O1C(C(OC1CC2=CC=CC=C2)C)C
Compound: 2-Ethoxy-1-methoxy-4-(1-propenyl)benzene
SMILES: O(C1=C(OC)C=CC(=C1)/C=C\C)CC
Compound: Butyl phenylacetate
SMILES: O(CCCC)C(=O)CC1=CC=CC=C1
Compound: Benzyl 3-methylbutanoate
SMILES: O(C(=O)CC(C)C)CC1=CC=CC=C1
Compound: 11,12,13-Trinor-1(10)-spirovetivene-2,7-dione
SMILES: O=C1CC2(C(CC(=O)C=C2C)C)CC1
Compound: 3-Phenylpropyl propanoate
SMILES: O(CCCC1=CC=CC=C1)C(=O)CC
Compound: Ethyl 4-phenylbutanoate
SMILES: O(C(=O)CCCC1=CC=CC=C1)CC
Compound: 4-Phenyl-2-butyl acetate
SMILES: O(C(CCC1=CC=CC=C1)C)C(=O)C
Compound: 2-Methyl-1-phenyl-2-propanyl acetate
SMILES: O(C(CC1=CC=CC=C1)(C)C)C(=O)C
Compound: 3-Methylbutyl benzoate
SMILES: O(CCC(C)C)C(=O)C1=CC=CC=C1
Compound: 1-Ethoxy-2-methoxy-4-(1-propenyl)benzene
SMILES: O(C1=C(OC)C=C(C=C1)/C=C\C)CC
Compound: 4-Methylphenyl 3-methylbutanoate
SMILES: O(C(=O)CC(C)C)C1=CC=C(C=C1)C
Compound: 1-Phenylethyl isobutyrate
SMILES: O(C(C1=CC=CC=C1)C)C(=O)C(C)C
Compound: 1-Phenylethyl butyrate
SMILES: O(C(C1=CC=CC=C1)C)C(=O)CCC
Compound: 4-Methyl-2-(1-phenylethyl)-1,3-dioxolane, 9CI
SMILES: O1C(OCC1C)C(C2=CC=CC=C2)C
Compound: Senkyunolide
SMILES: O1[C@H](C=2CCC=CC2C1=O)CCCC
Compound: 2E,6E,8E,10E-dodecatetraenoic acid
SMILES: OC(=O)\C=C\CC/C=C/C=C/C=C/C
Compound: 2E,4E,8Z,10E-dodecatetraenoic acid
SMILES: OC(=O)\C=C\C=C\CC\C=C/C=C/C
Compound: 2E,6E,8Z,10E-dodecatetraenoic acid
SMILES: OC(=O)\C=C\CC\C=C\C=C/C=C/C
Compound: sucrose
SMILES: OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid
SMILES: O(C1C(O)C(O)C(OC1C(O)=O)O)C2OC(=CC(O)C2O)C(O)=O
Compound: Alanyl-Serine
SMILES: OCC(NC(=O)C(N)C)C(O)=O
Compound: PE(18:2(9Z,12Z)/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(18:3(9Z,12Z,15Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(18:3(6Z,9Z,12Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(14:1(9Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: PE(14:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(12:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(15:1(9Z)/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(17:2(9Z,12Z)/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(OCCN)(O)=O
Compound: 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine
SMILES: N[C@@H](C[n+]1ccc(O)c(O)c1)C(O)=O
Compound: PE(20:3(8Z,11Z,14Z)/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: Ethyl 3-methylpentanoate
SMILES: O(C(=O)CC(CC)C)CC
Compound: Heptyl formate
SMILES: O(CCCCCCC)C=O
Compound: 5-Hydroxy-4-octanone
SMILES: OC(CCC)C(=O)CCC
Compound: 2-Methylpropyl 2-methylpropionate
SMILES: O(CC(C)C)C(=O)C(C)C
Compound: butylisobutyrate
SMILES: O(CCCC)C(=O)C(C)C
Compound: Isopropyl 2-methylbutanoate
SMILES: O(C(=O)C(CC)C)C(C)C
Compound: Ethyl 2-ethylbutanoate
SMILES: O(C(=O)C(CC)CC)CC
Compound: (3R,5Z)-5-Octene-1,3-diol
SMILES: OC(CCO)C/C=C\CC
Compound: Isopropyl 3-methylbutanoate
SMILES: O(C(C)C)C(=O)CC(C)C
Compound: D-ribose 1,5-bisphosphate
SMILES: O[C@H]1[C@@H](O)C(O[C@@H]1COP(O)(O)=O)OP(O)(O)=O
Compound: cis- and trans-2-Isobutyl-4-methyl-1,3-dioxolane
SMILES: O1C(OCC1C)CC(C)C
Compound: 1,1-Dimethoxy-trans-2-hexene
SMILES: O(C(OC)\C=C\CCC)C
Compound: 3-Hydroxyoctan-2-one
SMILES: OC(CCCCC)C(=O)C
Compound: 3-(Hydroxymethyl)-2-heptanone
SMILES: OCC(CCCC)C(=O)C
Compound: Methyl 5-methylhexanoate
SMILES: O(C(=O)CCCC(C)C)C
Compound: 6-methyl-heptanoic acid
SMILES: OC(=O)CCCCC(C)C
Compound: 2-Methylheptanoic acid
SMILES: OC(=O)C(CCCCC)C
Compound: Ethyl 2-methylpentanoate
SMILES: O(C(=O)C(CCC)C)CC
Compound: 2-Ethylbutyl acetate
SMILES: O(CC(CC)CC)C(=O)C
Compound: 1-Hydroxy-3-octanone
SMILES: O=C(CCCCC)CCO
Compound: Valeraldehyde propyleneglycol acetal
SMILES: O1C(OCC1C)CCCC
Compound: 3R-Hydroxyoctan-2-one
SMILES: O[C@H](CCCCC)C(=O)C
Compound: 2-Hydroxyoctan-3-one
SMILES: OC(C(=O)CCCCC)C
Compound: 2S-Hydroxyoctan-3-one
SMILES: O[C@H](C(=O)CCCCC)C
Compound: 5R-Hydroxy-4S-methylheptan-3-one
SMILES: O[C@@H]([C@@H](C(=O)CC)C)CC
Compound: 4-ethyl-hexanoic acid
SMILES: OC(=O)CCC(CC)CC
Compound: 5-methyl-heptanoic acid
SMILES: OC(=O)CCCC(CC)C
Compound: 2-ethyl-2-methyl valeric ccid
SMILES: OC(=O)C(CCC)(CC)C
Compound: 2,2-dimethyl-hexanoic acid
SMILES: OC(=O)C(CCCC)(C)C
Compound: 3R-Methylheptanoic acid
SMILES: OC(=O)C[C@@H](CCCC)C
Compound: Sodium 6-hydroxy-5-(phenylazo)-2-naphthalenesulfoniate
SMILES: S(O)(=O)(=O)C1=CC2=C(C(/N=N/C3=CC=CC=C3)=C(O)C=C2)C=C1
Compound: 4-[(2-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid
SMILES: S(O)(=O)(=O)C1=CC=C(\N=N\C=2C=3C(C=CC2O)=CC=CC3)C=C1
Compound: 11-methyl-hexadecanoic acid
SMILES: OC(=O)CCCCCCCCCC(CCCCC)C
Compound: 4,8-dimethyl-pentadecanoic acid
SMILES: OC(=O)CCC(CCCC(CCCCCCC)C)C
Compound: 2,6-dimethyl-pentadecanoic acid
SMILES: OC(=O)C(CCCC(CCCCCCCCC)C)C
Compound: 7-Methyloctyl octanoate
SMILES: O(CCCCCCC(C)C)C(=O)CCCCCCC
Compound: 2,6-Dimethyl-5-heptenyl octanoate
SMILES: O(CC(CCCC(C)C)C)C(=O)CCCCCCC
Compound: formyl 2,6-dimethyl-tetradecanoate
SMILES: O(C(=O)C(CCCC(CCCCCCCC)C)C)C
Compound: formyl 2,6,10-trimethyl-tridecanoate
SMILES: O(C(=O)C(CCCC(CCCC(CCC)C)C)C)C
Compound: tetradecyl propionate
SMILES: O(CCCCCCCCCCCCCC)C(=O)CC
Compound: Pentadecyl acetate
SMILES: O(CCCCCCCCCCCCCCC)C(=O)C
Compound: 12-Methyltetradecyl acetate
SMILES: O(CCCCCCCCCCCC(CC)C)C(=O)C
Compound: 14:0(5Me[R],9Me[R],13Me)
SMILES: OC(=O)CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C
Compound: 7-methyl-hexadecanoic acid
SMILES: OC(=O)CCCCCC(CCCCCCCCC)C
Compound: 9-methyl-hexadecanoic acid
SMILES: OC(=O)CCCCCCCC(CCCCCCC)C
Compound: 8-methyl-hexadecanoic acid
SMILES: OC(=O)CCCCCCC(CCCCCCCC)C
Compound: 13-methyl-hexadecanoic acid
SMILES: OC(=O)CCCCCCCCCCCC(CCC)C
Compound: 12-methyl-hexadecanoic acid
SMILES: OC(=O)CCCCCCCCCCC(CCCC)C
Compound: 3-methyl-hexadecanoic acid
SMILES: OC(=O)CC(CCCCCCCCCCCCC)C
Compound: 5-methyl-hexadecanoic acid
SMILES: OC(=O)CCCC(CCCCCCCCCCC)C
Compound: 4-methylpentanal
SMILES: C(C(C)C)CC=O
Compound: 4R-methyl-hexadecanoic acid
SMILES: OC(=O)CC[C@@H](CCCCCCCCCCCC)C
Compound: 9,14-dimethylpentadecanoic acid
SMILES: OC(=O)CCCCCCCC(CCCCC(C)C)C
Compound: 3,5-Dimethylpentadecanoic acid
SMILES: OC(=O)CC(CC(CCCCCCCCCC)C)C
Compound: 3-Oxochola-1,4-dien-24-oic Acid
SMILES: O=C1C=C2[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
Compound: (22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid
SMILES: O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=CC4)[C@H](C)/C=C/C(O)=O)C)[H])(CC2)[H])[H])(CC1)C
Compound: 3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid
SMILES: O=C1C[C@@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])=CC2)(CC1)C)[H]
Compound: 3-Oxo-5beta-chola-8(14),11-dien-24-oic Acid
SMILES: O=C1C[C@@]2([C@@]([C@@]3(C(=C4[C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(C=C3)C)CC2)[H])(CC1)C)[H]
Compound: 3-Oxo-5beta-chola-7,11-dien-24-oic Acid
SMILES: O=C1C[C@@]2([C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(C=C3)C)[H])=CC2)[H])(CC1)C)[H]
Compound: (20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid
SMILES: O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=CC4)[C@@H](C)/C=C/C(O)=O)C)[H])(CC2)[H])[H])(CC1)C
Compound: Cer(d14:1/20:0)
SMILES: O[C@@H]([C@@H](NC(=O)CCCCCCCCCCCCCCCCCCC)CO)/C=C/CCCCCCCCC
Compound: Cer(d16:1/18:0)
SMILES: O[C@@H]([C@@H](NC(=O)CCCCCCCCCCCCCCCCC)CO)\C=C\CCCCCCCCCCC
Compound: Isopropyl 2-methylpropanoate
SMILES: O(C(C)C)C(=O)C(C)C
Compound: formyl hexanoate
SMILES: O(C(=O)CCCCC)C=O
Compound: cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane
SMILES: O1C(OCC1C)C(C)C
Compound: Methyl 4-methylpentanoate
SMILES: O(C(=O)CCC(C)C)C
Compound: Methyl 2-methylpentanoate
SMILES: O(C(=O)C(CCC)C)C
Compound: 2-Pentanol acetate
SMILES: O(C(CCC)C)C(=O)C
Compound: 5-methyl-hexanoic acid
SMILES: OC(=O)CCCC(C)C
Compound: Hexyl formate
SMILES: O(CCCCCC)C=O
Compound: beta,beta-dimethyl valeric acid
SMILES: OC(=O)CC(CC)(C)C
Compound: 4-chloro-2-methylphenol
SMILES: Cc1cc(Cl)ccc1O
Compound: alpha,alpha-dimethyl valeric acid
SMILES: OC(=O)C(CCC)(C)C
Compound: 4-methyl-hexanoic acid
SMILES: OC(=O)CCC(CC)C
Compound: alpha-ethyl valeric acid
SMILES: OC(=O)C(CCC)CC
Compound: 3-Hydroxyheptan-2-one
SMILES: OC(CCCC)C(=O)C
Compound: 3,4-dimethyl valeric acid
SMILES: OC(=O)CC(C(C)C)C
Compound: 4,4-dimethyl valeric acid
SMILES: OC(=O)CCC(C)(C)C
Compound: 2-ethyl-2-methyl-butanoic acid
SMILES: OC(=O)C(CC)(CC)C
Compound: (-)-7-epi--9,10-dihydrojasmonic acid
SMILES: O=C1[C@H]([C@H](CC1)CC(O)=O)CCCCC
Compound: (+)-7-epi--9,10-dihydrojasmonic acid
SMILES: O=C1[C@@H]([C@@H](CC1)CC(O)=O)CCCCC
Compound: 8-oxo-3,7-Dimethyl-6E-octenyl acetate
SMILES: O(CCC(CC/C=C(\C)/C=O)C)C(=O)C
Compound: 10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid
SMILES: OCCC/C(=C/CC/C(/C)=C/C(O)=O)/C
Compound: 6-hydroxy-4-dodecanolide
SMILES: O1C(CC(O)CCCCCC)CCC1=O
Compound: 9-keto lauric acid
SMILES: O=C(CCCCCCCC(O)=O)CCC
Compound: 4-keto lauric acid
SMILES: O=C(CCCCCCCC)CCC(O)=O
Compound: 11-oxo-dodecanoic acid
SMILES: O=C(CCCCCCCCCC(O)=O)C
Compound: 5-Oxododecanoic acid
SMILES: O=C(CCCCCCC)CCCC(O)=O
Compound: 7-Oxododecanoic acid
SMILES: O=C(CCCCCC(O)=O)CCCCC
Compound: 12-hydroxy-10-dodecenoic acid
SMILES: OC(=O)CCCCCCCC/C=C/CO
Compound: 12-hydroxy-3Z-dodecenoic acid
SMILES: OCCCCCCCC/C=C\CC(O)=O
Compound: 11-docosenoic acid
SMILES: OC(=O)CCCCCCCCC\C=C\CCCCCCCCCC
Compound: (-)-secologanin
SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)O[C@H]2[C@@H]([C@@H](C(=CO2)C(OC)=O)CC=O)C=C
Compound: 7,9-Docosanedione
SMILES: O=C(CCCCCCCCCCCCC)CC(=O)CCCCCC
Compound: 6,8-Docosanedione
SMILES: O=C(CCCCCCCCCCCCCC)CC(=O)CCCCC
Compound: 5,7-Docosanedione
SMILES: O=C(CCCCCCCCCCCCCCC)CC(=O)CCCC
Compound: 4,6-Docosanedione
SMILES: O=C(CCCCCCCCCCCCCCCC)CC(=O)CCC
Compound: Phytyl acetate
SMILES: O(C\C=C(\CCCC(CCCC(CCCC(C)C)C)C)/C)C(=O)C
Compound: 7Z-Octadecenyl isobutyrate
SMILES: O(CCCCCC/C=C\CCCCCCCCCC)C(=O)C(C)C
Compound: 16-Methyl-9Z-heptadecenyl isobutyrate
SMILES: O(CCCCCCCC/C=C\CCCCCC(C)C)C(=O)C(C)C
Compound: (Z)-3-Hexenyl hexadecanoate
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC/C=C\CC
Compound: (Z)-7-Octadecenyl butyrate
SMILES: O(CCCCCC/C=C\CCCCCCCCCC)C(=O)CCC
Compound: 11Z-Eicosenyl acetate
SMILES: O(CCCCCCCCCC/C=C\CCCCCCCC)C(=O)C
Compound: 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid
SMILES: [H]C(=O)\C=C\C(C(O)=O)=C(\O)C(O)=O
Compound: 22-Docosanolide
SMILES: O1CCCCCCCCCCCCCCCCCCCCCC1=O
Compound: 22:1(9Z)
SMILES: OC(=O)CCCCCCC/C=C\CCCCCCCCCCCC
Compound: 22:1(7Z)
SMILES: OC(=O)CCCCC/C=C\CCCCCCCCCCCCCC
Compound: 19Z-docosenoic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCCC/C=C\CC
Compound: 15Z-docosenoic acid
SMILES: OC(=O)CCCCCCCCCCCCC/C=C\CCCCCC
Compound: 15-docosenoic acid
SMILES: OC(=O)CCCCCCCCCCCCC/C=C/CCCCCC
Compound: 5Z-docosenoic acid
SMILES: OC(=O)CCC/C=C\CCCCCCCCCCCCCCCC
Compound: 2,4-dimethyl-2-eicosenoic acid
SMILES: OC(=O)\C(=C\C(CCCCCCCCCCCCCCCC)C)\C
Compound: 6-hydroxy caprylic acid
SMILES: OC(CCCCC(O)=O)CC
Compound: 5-hydroxy-octanoic acid
SMILES: OC(CCCC(O)=O)CCC
Compound: D-hamamelose
SMILES: [H]C(=O)[C@@](O)(CO)[C@H](O)[C@H](O)CO
Compound: 4-hydroxy-octanoic acid
SMILES: OC(CCCC)CCC(O)=O
Compound: 7S-hydroxy-octanoic acid
SMILES: O[C@H](CCCCCC(O)=O)C
Compound: 4R-hydroxy-octanoic acid
SMILES: O[C@H](CCCC)CCC(O)=O
Compound: 3-hydroxy-isoheptanoic acid
SMILES: OC(CCC(C)C)CC(O)=O
Compound: PE(DiMe(11,3)/MonoMe(11,3))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC=1OC(=CC1C)CCC)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCC)(OCCN)(O)=O
Compound: PE(DiMe(11,3)/MonoMe(9,5))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC=1OC(CCCCC)=CC1C)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCC)(OCCN)(O)=O
Compound: PE(MonoMe(9,5)/DiMe(11,3))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC=1OC(=C(C1C)C)CCC)COC(=O)CCCCCCCCC=2OC(CCCCC)=CC2C)(OCCN)(O)=O
Compound: PE(MonoMe(9,5)/DiMe(9,5))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC=1OC(=C(C1C)C)CCCCC)COC(=O)CCCCCCCCC=2OC(CCCCC)=CC2C)(OCCN)(O)=O
Compound: PE(DiMe(9,5)/MonoMe(11,3))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC=1OC(=CC1C)CCC)COC(=O)CCCCCCCCC=2OC(=C(C2C)C)CCCCC)(OCCN)(O)=O
Compound: PE(DiMe(9,5)/MonoMe(9,5))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC=1OC(CCCCC)=CC1C)COC(=O)CCCCCCCCC=2OC(=C(C2C)C)CCCCC)(OCCN)(O)=O
Compound: keto-phenylpyruvate
SMILES: [O-]C(=O)C(=O)Cc1ccccc1
Compound: PE(MonoMe(11,3)/DiMe(11,3))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC=1OC(=C(C1C)C)CCC)COC(=O)CCCCCCCCCCC=2OC(=CC2C)CCC)(OCCN)(O)=O
Compound: PE(MonoMe(11,3)/DiMe(9,5))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC=1OC(=C(C1C)C)CCCCC)COC(=O)CCCCCCCCCCC=2OC(=CC2C)CCC)(OCCN)(O)=O
Compound: PE(MonoMe(11,5)/DiMe(9,3))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC=1OC(=C(C1C)C)CCC)COC(=O)CCCCCCCCCCC=2OC(CCCCC)=CC2C)(OCCN)(O)=O
Compound: PE(DiMe(9,3)/MonoMe(11,5))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC=1OC(CCCCC)=CC1C)COC(=O)CCCCCCCCC=2OC(=C(C2C)C)CCC)(OCCN)(O)=O
Compound: PS(16:1(9Z)/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)CCCCCCC/C=C\CCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)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: PS(20:1(11Z)/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)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:2(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)CCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(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)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 9Z-Dodecen-7-ynyl acetate
SMILES: O(CCCCCCC#C/C=C\CC)C(=O)C
Compound: 7Z,9E,11-Dodecatrienyl acetate
SMILES: O(CCCCCC\C=C/C=C/C=C)C(=O)C
Compound: 7E,9Z,11-Dodecatrienyl acetate
SMILES: O(CCCCCC/C=C/C=C\C=C)C(=O)C
Compound: S-cucujolide V
SMILES: O1[C@H](CCCC=CCC=CCCCC1=O)C
Compound: 5-Hydroxy-7-tetracosanone
SMILES: OC(CC(=O)CCCCCCCCCCCCCCCCC)CCCC
Compound: 4-Hydroxy-6-tetracosanone
SMILES: OC(CC(=O)CCCCCCCCCCCCCCCCCC)CCC
Compound: 3-[hydroxy(oxido)phosphoranyl]pyruvic acid
SMILES: [H]P(O)(=O)CC(=O)C(O)=O
Compound: 20-Tetracosene-1,18-diol
SMILES: OC(CCCCCCCCCCCCCCCCCO)CC=CCCC
Compound: 4-Methyl-3-heptyl palmitate
SMILES: O(C(C(CCC)C)CC)C(=O)CCCCCCCCCCCCCCC
Compound: Eicosyl isobutyrate
SMILES: O(CCCCCCCCCCCCCCCCCCCC)C(=O)C(C)C
Compound: hexyl octadecanoate
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)CCCCCC
Compound: ethyl docosenyl
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)CC
Compound: Docosyl acetate
SMILES: O(CCCCCCCCCCCCCCCCCCCCCC)C(=O)C
Compound: octadecyl hexanoate
SMILES: O(CCCCCCCCCCCCCCCCCC)C(=O)CCCCC
Compound: eicosyl butyrate
SMILES: O(CCCCCCCCCCCCCCCCCCCC)C(=O)CCC
Compound: Mycocerosic acid (C24)
SMILES: OC(=O)[C@@H](C[C@@H](CCCCCCCCCCCCCCCCCC)C)C
Compound: 2,4-dimethyl-docosanoic acid
SMILES: OC(=O)C(CC(CCCCCCCCCCCCCCCCCC)C)C
Compound: 3,15-dimethyl-docosanoic acid
SMILES: OC(=O)CC(CCCCCCCCCCCC(CCCCCCC)C)C
Compound: 21-methyl-tricosanoic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCCCCCC(CC)C
Compound: Mycosanoic acid (C24)
SMILES: OC(=O)[C@H](C[C@H](CCCCCCCCCCCCCCCCCC)C)C
Compound: PS(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/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: PS(20:2(11Z,14Z)/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)CCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(18:1(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\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 4-keto-n-caproic acid
SMILES: O=C(CCC(O)=O)CC
Compound: NADP(+)
SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Compound: 4-Thiocyanatophenol
SMILES: S(C1=CC=C(O)C=C1)C#N
Compound: 13-keto myristic acid
SMILES: O=C(CCCCCCCCCCCC(O)=O)C
Compound: 10-keto myristic acid
SMILES: O=C(CCCCCCCCC(O)=O)CCCC
Compound: 4-keto myristic acid
SMILES: O=C(CCCCCCCCCC)CCC(O)=O
Compound: 2-oxo-tetradecanoic acid
SMILES: O=C(CCCCCCCCCCCC)C(O)=O
Compound: 7-Oxotetradecanoic acid
SMILES: O=C(CCCCCCC)CCCCCC(O)=O
Compound: 14-hydroxy-12Z-tetradecenoic acid
SMILES: OC(=O)CCCCCCCCCC/C=C\CO
Compound: 14-hydroxy-5Z-tetradecenoic acid
SMILES: OCCCCCCCC/C=C\CCCC(O)=O
Compound: 12-hydroxy-13-tetradecenoic acid
SMILES: OC(CCCCCCCCCCC(O)=O)C=C
Compound: octyl 3-methyl-butanoate
SMILES: O(CCCCCCCC)C(=O)CC(C)C
Compound: 3',4',5-trihydroxy-3,7-dimethoxyflavone
SMILES: COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
Compound: formyl dodecanoate
SMILES: O(C(=O)CCCCCCCCCCC)C=O
Compound: Ethyl undecanoate
SMILES: O(C(=O)CCCCCCCCCC)CC
Compound: Decanal propyleneglycol acetal
SMILES: O1C(OCC1C)CCCCCCCCC
Compound: Isopropyl dodecanoic acid
SMILES: O(C(=O)CCCCCCCCC)C(C)C
Compound: decyl propionate
SMILES: O(CCCCCCCCCC)C(=O)CC
Compound: 2,6-dimethyl-undecanoic acid
SMILES: OC(=O)C(CCCC(CCCCC)C)C
Compound: 5-methyl lauric acid
SMILES: OC(=O)CCCC(CCCCCCC)C
Compound: 4-methyl lauric acid
SMILES: OC(=O)CCC(CCCCCCCC)C
Compound: 7-methyl lauric acid
SMILES: OC(=O)CCCCCC(CCCCC)C
Compound: 6-methyl lauric acid
SMILES: OC(=O)CCCCC(CCCCCC)C