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Equilin is a 17-oxo steroid and a 3-hydroxy steroid. It derives from a hydride of an estrane. | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N | 0 |
Ancitabine hydrochloride is a hydrochloride salt resulting from the reaction of equimolar amounts of ancitabine and hydrogen chloride. It has a role as an antimetabolite and an antineoplastic agent. It contains an ancitabine(1+). | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(CO)O)(C)C(=O)O | 0 |
16-Ketoestradiol is a 16-oxo steroid. | C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)NC)C)C)O)N(C)C | 0 |
Naphthyl dipeptide is a peptide. | C[C@@H]1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)N)OCO3 | 0 |
Yersiniabactin is a member of the class of thiazolidines that is (4S)-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid which is substituted at position 2 by a (1S)-1-hydroxy-1-{(4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl group. A siderophore found in the gram-negative bacterium species, Yersinia enterocolitica and Yersinia pestis. It has a role as a siderophore and a bacterial metabolite. It is a member of phenols, a member of thiazolidines, a monocarboxylic acid and a secondary alcohol. It is a conjugate acid of a yersiniabactin(1-). | C1CN(CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O | 0 |
3-Epimacronine is an alkaloid. | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C | 0 |
Cefoperazone is a semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance. It has a role as an antibacterial drug. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)[C@@H]2O)CCC4=C3C=CC(=C4)OC | 0 |
3alpha,12alpha-dihydroxy-5beta-chol-6-en-24-oic acid is a dihydroxy-5beta-cholanic acid that is deoxycholic acid with a double bond at position 6. It has a role as a metabolite. It is a bile acid and a dihydroxy-5beta-cholanic acid. It is functionally related to a deoxycholic acid. | C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC | 0 |
7-deoxyloganic acid is a cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1 and 7 by beta-D-glucosyloxy and methyl groups respectively (the 1S,4aS,7S,7aR-diatereomer). It has a role as a plant metabolite. It is a beta-D-glucoside, a cyclopentapyran, a monoterpene glycoside, a monosaccharide derivative, an iridoid monoterpenoid and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to a 7-deoxyloganetic acid. It is a conjugate acid of a 7-deoxyloganate. | C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2[C@@H]([C@@H](C5=CC=C4)O)O | 0 |
D-galactopyranose 6-phosphate is the pyranose form of D-galactose 6-phosphate. It has a role as a metabolite. It is a D-galactose 6-phosphate and a D-hexopyranose 6-phosphate. It is a conjugate acid of a D-galactopyranose 6-phosphate(2-). | [C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)OP(=O)(O)O)N)O)N | 0 |
17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one is a 3-hydroxy steroid. It has a role as an androgen. | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C(F)(F)F)C)OC(=O)C | 0 |
Isofloridoside is a galactosylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding alpha-D-galactopyranoside. It is an alpha-D-galactoside and a galactosylglycerol. It is functionally related to a glycerol. | C1C[C@H](N(C1)C(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 0 |
4-nitrophenyl alpha-D-galactoside is an alpha-D-galactopyranoside having a 4-nitrophenyl substituent at the anomeric position. It is an alpha-D-galactoside and a monosaccharide derivative. | CCC1=C([C@H](C2=C1C=CC(=C2)O)C)C3=CC=C(C=C3)O | 0 |
4-nitrophenyl beta-D-glucuronide is a beta-D-glucosiduronic acid having a 4-nitrophenyl substituent at the anomeric position. It has a role as a chromogenic compound. It is a beta-D-glucosiduronic acid and a C-nitro compound. It is functionally related to a 4-nitrophenol. | CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F | 0 |
Asperlicin D is a pyrimidodiazepine. | C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)S | 0 |
(R)-Indenestrol A is an indene. | CC1([C@H](CC2=C(O1)C(=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)C | 0 |
Carindacillin is a penicillin. It is a conjugate acid of a carindacillin(1-). | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO | 0 |
2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid is a bile acid glycine conjugate. | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | 0 |
Penicillin X is a penicillin. | C[C@]12[C@@H]3CC(C[C@@H]3C[C@@]14[C@H](O4)C(=O)C2=C)(C)C | 0 |
Cycleanine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid. | CCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C | 0 |
Cholest-5-ene is a cholestanoid. It has a role as a mouse metabolite. | CC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C[C@@H](CC(=O)O)O | 0 |
(1R,2S,4R,8S,9S,12R)-2-Formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid is a C20-gibberellin. | C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C | 0 |
Lamioside is a terpene glycoside. | C(=O)[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O | 0 |
Beta-mannobiose is the beta-isomer of mannobiose. | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCCN)O)O | 0 |
Shikodonin is a delta-lactone. | C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)C(=O)C(=O)O | 0 |
3-O-sulfo-beta-D-galactose is a monosaccharide sulfate that is beta-D-galactose bearing a single sulfo substituent at position 3; sulfatide in which both acyl chains have been removed by treatment with ceramide glycanase. It has a role as an epitope. It is functionally related to a beta-D-galactose. | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O | 0 |
Androst-4-ene-3alpha,17beta-diol diacetate is a steroid ester. | CC1=C(C(=C(C=C1)O)O)CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C | 0 |
Taurolithocholic acid is the bile acid taurine conjugate of lithocholic acid. It has a role as a human metabolite. It is a monocarboxylic acid amide and a bile acid taurine conjugate. It is functionally related to a lithocholic acid. It is a conjugate acid of a taurolithocholate. | C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F | 0 |
Supinine is a member of pyrrolizines. | C1CCN2C[C@@H]3C[C@@H]([C@@H]2C1)CN4C3=CC=CC4=O | 0 |
PS(15:0/0:0) is a 1-acyl-sn-glycero-3-phosphoserine. | CC(C)C[C@@H](C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)OC(C)(C)C | 0 |
Formycin A is a formycin. It has a role as an antineoplastic agent. | C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N | 0 |
2-O-Sulfo-L-idopyranuronic acid is a carbohydrate acid derivative. | [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O | 0 |
Diacetoxyscirpenol is a trichothecene. | CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)CN | 0 |
All-trans-retinoic acid is a retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. It has a role as a keratolytic drug, an antineoplastic agent, an antioxidant, a signalling molecule, a retinoid X receptor agonist, an anti-inflammatory agent, an AP-1 antagonist, a retinoic acid receptor agonist and a human metabolite. It is a retinoic acid and a vitamin A. It is a conjugate acid of an all-trans-retinoate. | COC1=CC(=C(C=C1)[C@@H]2COC3=C(C2=O)C=CC(=C3)O)O | 0 |
Ergosterol is a phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. It has a role as a fungal metabolite and a Saccharomyces cerevisiae metabolite. It is a 3beta-sterol, an ergostanoid, a 3beta-hydroxy-Delta(5)-steroid and a member of phytosterols. | CC(C)C[C@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O | 0 |
(1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol is a gamma-aminobutyric acid (GABA)-based hapten where a 4-substituted benzoyl group is attached to nitrogen. It has a role as a hapten. It is a monocarboxylic acid, a member of cyclohexanols and a N-acyl-gamma-aminobutyric acid. It is functionally related to a gamma-aminobutyric acid. | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O | 0 |
L-tagatofuranose 6-phosphate is the furanose form of L-tagatose 6-phosphate. It is a conjugate acid of a L-tagatofuranose 6-phosphate(2-). | C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N | 0 |
3beta-hydroxy-16alpha,17alpha-epoxypregnenolone is an epoxy steroid that is pregnenolone which has an epoxy group whose oxygen is attached to the 16alpha and 17alpha-positions. It is a sterol, a 20-oxo steroid, a 3beta-hydroxy-Delta(5)-steroid, a C21-steroid and an epoxy steroid. | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | 0 |
(-)-vincadifformine is an aspidosperma alkaloid that is (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine which is substituted at position 3 by a methoxycarbonyl group. A natural product found in several species in the Apocynaceae (dogbane) family, including Alstonia spatulata. It has a role as a plant metabolite and an antiplasmodial drug. It is an Aspidosperma alkaloid, a methyl ester, an organic heteropentacyclic compound, an organonitrogen heterocyclic compound, a tertiary amino compound and a secondary amino compound. It is a conjugate base of a (-)-vincadifformine(1+). It is an enantiomer of a (+)-vincadifformine. | C[C@H]1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1 | 0 |
Viridin is a member of phenanthrenes. | C1[C@@H](O[C@H]2[C@@]1(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)O)O)O | 0 |
16-hydroxytabersonine is a monoterpenoid indole alkaloid, a methyl ester and an organic heteropentacyclic compound. It is functionally related to a tabersonine. It is a conjugate base of a 16-hydroxytabersoninium. | C([C@H]([C@@H]1[C@H]([C@@H]([C@@H](C(O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O | 0 |
Cynometrine is a member of imidazoles. | C[C@H](CCC=C(C)C)[C@H]1CC=C2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C | 0 |
Cannabisativine is an azamacrocycle and a lactam. | C[C@](CO)([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O | 0 |
Acutumidine is an alkaloid. | C1=CC(=C(C=C1C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N)O)O | 0 |
(-)-Sparticarpin is a member of pterocarpans. | C[C@](CO)([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O | 0 |
3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose is an O-acyl carbohydrate. | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)O)C)C | 0 |
5-(beta-D-galactosyloxy)-L-lysine is a 5-glycosyloxy-L-lysine in which the glycosyl fragment is specified as beta-D-galactose. | C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C | 0 |
Ovothiol A disulfide is an organic disulfide and a non-proteinogenic L-alpha-amino acid. | C[C@@]12CC[C@@H]3[C@@H]([C@@H]4[C@](O4)(CC[C@H]1O2)C)OC(=O)C3=C | 0 |
5beta-Cholestane-3alpha,26-diol is a cholanoid. | CC(=C)C1([C@@H]2[C@H]([C@]3([C@@]4(CO4)[C@H]5[C@@H]([C@]3([C@H]1C(=O)O2)O)O5)C)O)O | 0 |
Acetylcorynoline is a benzophenanthridine alkaloid. | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O | 0 |
Gibberellin A24 is a C20-gibberellin that consists of a tetracyclic skeleton bearing two carboxy and a formyl group. It has a role as a plant metabolite. It is a dicarboxylic acid, an aldehyde and a C20-gibberellin. It is a conjugate acid of a gibberellin A24(2-). | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)N)CO)O)O | 0 |
Neoabietinol is a diterpenoid. | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O | 0 |
Melengestrol acetate is a corticosteroid hormone. | CC(C)CCCC(=O)CCCCCCC(=O)CCN(C(=O)[C@H](CO)N)O | 0 |
Tsukushinamine A is a diazepane. | C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 0 |
L-fucopyranose 1-phosphate is a deoxyaldohexose phosphate. It has a role as a human metabolite. It is functionally related to a L-fucopyranose. | CC1=CC(=CC2=C1[C@H]3CC[C@]4([C@H]([C@@H]3C=C2)CCC4=O)C)O | 0 |
3-Methoxyestra-1,3,5(10),16-tetraene is a steroid. It derives from a hydride of an estrane. | C[C@@H]1[C@H](OC2=CC(=O)C(=C[C@]12OC)CC=C)C3=CC(=C(C=C3)OC)OC | 0 |
Aricine is a yohimban alkaloid and a methyl ester. | CC[C@@H]1CCCNC(=O)[C@@H](CCC[C@@H](CC[C@H]1O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)N)O)C)CC | 0 |
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate is a steroid ester. | C[C@H]1CCC(=O)[C@](C[C@@H]([C@@H]2[C@@H]([C@H]1O)OC(=O)C2=C)OC(=O)C(=C)C)(C)OC(=O)C | 0 |
2,3-dihydroxybenzoyl 5'-adenylate is an adenosine 5'-phosphate and a purine ribonucleoside 5'-monophosphate. It has a role as an Escherichia coli metabolite. It is functionally related to an adenosine 5'-monophosphate. It is a conjugate acid of a 2,3-dihydroxybenzoyl 5'-adenylate(1-). | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H]4C[C@]5([C@H]3CC[C@@H]5C(=O)CO)C(O4)O)O | 0 |
Descinolone is a corticosteroid hormone. | CC1=C([C@@H](C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OC(C)C | 0 |
Alpha-D-glucosyl-(1->3)-beta-D-mannose is the beta-anomer of alpha-D-glucosyl-(1->3)-D-mannopyranose It has a role as a human metabolite. | COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC | 0 |
Hamayne is an alkaloid. | CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N | 0 |
1D-myo-inositol 1,2,4,5,6-pentakisphosphate is a myo-inositol pentakisphosphate comprising 1D-myo-inositol having the five phosphate groups placed in the 1-' 2-' 4-, 5- and 6-positions. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 1,2,4,5,6-pentakisphosphate(10-). | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)CC[C@]35C | 0 |
Fecosterol is a 3beta-sterol having a 5alpha-ergostane skeleton with a methylidene group at C-24 and double bonds at the C-8 and C-24(28) positions. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a hydride of a 5alpha-ergostane. | C[C@]12CCC3=C([C@@H]1CCCC2=O)CCC4=C3C=CC(=C4)OC | 0 |
20,22-dihydrodigoxigenin is a hydroxy steroid that is the 20,22-dihydro derivative of digoxigenin, consisting of 5beta-cardanolide with hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It is a 3beta-hydroxy steroid, a 12beta-hydroxy steroid and a 14beta-hydroxy steroid. It is functionally related to a digoxigenin. | CC1=C2COC(=O)C2=C(C3=C1O[C@]4(C[C@H]([C@@]56[C@@]([C@H]4C3)(CC[C@@](O5)(OC6(C)C)OC)C)O)C)OC | 0 |
17-Methyl-18-norandrosta-4,13(17)-dien-3-one is an oxo steroid. | C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)O)C | 0 |
3-Ethynyl-5alpha-androstane-3beta,17beta-diol is a 3-hydroxy steroid. It has a role as an androgen. | C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=C(NC3=C(C=C(C=C23)CC=C(C)C)CC=C(C)C)C(C)(C)C=C | 0 |
A-Nor-5alpha-cholestan-2-one is an androstanoid. | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O | 0 |
2-nitrophenyl beta-D-fucoside is a beta-D-fucoside. | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=C3C=CC(=C4)OC(=O)C)OC(=O)C)C | 0 |
(-)-phaseollinisoflavan is a member of the class of hydroxyisoflavans that is (3R)-3,4-dihydro-2H,2'H-3,6'-bichromene substituted by two methyl groups at positions 2' and 2' and hydroxy groups at positions 5' and 7 respectively. It has a role as a plant metabolite. | C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)O4)C)O | 0 |
2,3,4-Trioxycyclopentanone is a dioxolane. | C[C@@H]1[C@]2([C@@H](C[C@@H](O1)C3=C2C(=O)C4=C(C5=C([C@H]6[C@H](CC(=O)O6)OC5C)C(=C4C3=O)O)O)O)O | 0 |
Alpha-D-mannose 6-phosphate is the alpha-anomer of D-mannose 6-phosphate. It has a role as an epitope. It is functionally related to an alpha-D-mannose. It is a conjugate acid of an alpha-D-mannose 6-phosphate(2-). | CN1CC[C@]2([C@@H]1C3=C(CC2)N=CC=C3)C4=CC(=C(C=C4)OC)OC | 0 |
2-deoxy-2-fluoro-alpha-D-glucose is a 2-deoxy-2-fluoro-D-glucopyranose. It derives from a hydride of an alpha-D-glucose. | C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)O | 0 |
Adenosine 5'-[alpha,beta-methylene]triphosphate is a nucleoside triphosphate analogue. | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O | 0 |
Cefacetrile is a cephalosporin. | CC1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O | 0 |
(1R)-trans-phenothrin is a phenothrin. It is functionally related to a (+)-trans-chrysanthemic acid. | C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | 0 |
Beta-D-GlcpNAc-(1->3)-D-Gal-OH is a glycosyl alditol that is D-galactitol in which the hydroxy group at position 3 has been converted to the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranoside. It is a member of acetamides and a glycosyl alditol. It is functionally related to a N-acetyl-beta-D-glucosamine and a galactitol. | C[C@@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@H]1C)OC(=O)C)OCO4)OC)OC)OC)OC | 0 |
11beta-hydroxyandrost-4-ene-3,17-dione is an 11beta-hydroxy steroid, a 3-oxo steroid, a 17-oxo steroid and an androstanoid. It has a role as a human metabolite and a mouse metabolite. | C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C[C@@H]1O)C | 0 |
Capaurine is an alkaloid. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O | 0 |
Mitraphylline is a member of indolizines. | C1=CN(C(=O)N(C1=O)CCC(C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | 0 |
15beta-hydroxycyproterone acetate is a corticosteroid hormone. | C1[C@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)N4C[C@@H]5C[C@@H](C4)C6=CC=CC(=O)N6C5 | 0 |
Agrimophol is a carboxylic ester. It is functionally related to a phloroglucinol. | C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=CC[C@H]5O)OCO4 | 0 |
Norcholic acid is a bile acid. | CC(C)([C@H]1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | 0 |
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid is an aromatic ether. | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC | 0 |
13-(beta-D-glucosyloxy)docosanoic acid is a beta-D-glucoside consisting of docosanoic (behenic) acid having a beta-D-glucosyloxy group at position 13. It is functionally related to a docosanoic acid. It is a conjugate acid of a 13-(beta-D-glucosyloxy)docosanoate. | C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | 0 |
(+)-neomenthyl beta-D-glucoside is a beta-D-glucoside. It is functionally related to a (+)-neomenthol. | CN1CCC(N=C1N)CC(=O)N[C@H]2C=C[C@@H](O[C@@H]2C(=O)O)N3C=CC(=NC3=O)N | 0 |
(S)-fluazifop-butyl is a butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has S configuration. It is the inactive enantiomer of the herbicide fluazifop-P-butyl. It is an enantiomer of a fluazifop-P-butyl. | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)N | 0 |
Narcotoline is a member of isoquinolines. | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)N | 0 |
(S)-norlaudanosoline is a norlaudanosoline. It is an enantiomer of a (R)-norlaudanosoline. | C1=CC=C(C=C1)CCNC(=O)COP(=O)([C@@H](CC2=CC=CC=C2)NC(=O)CCCC(=O)O)O | 0 |
Coriamyrtin is a gamma-lactone. | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC | 0 |
Xibornol is a bridged compound that is 3,4-xylenol carrying an additional isobornyl substituent at position 6. A lipophilic antibacterial drug mainly used in spray dosage forms for the local treatment of infection and inflammation of the throat. It has a role as an antibacterial drug. It is a member of phenols and a bridged compound. It derives from a hydride of a bornane. | CC(C)C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)N5CCCCCC5 | 0 |
Isochondrodendrine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid. | COC1=C(C=CC(=C1)C[C@@H]2COC(=O)[C@@]2(CC3=CC(=C(C=C3)O)OC)O)O | 0 |
7-Epiloganic acid is a terpene glycoside. | [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[2H])[2H])[2H] | 0 |
Carthamidin is a tetrahydroxyflavanone that is (S)-naringenin substituted by an additional hydroxy group at position 6. It has a role as a plant metabolite. It is a tetrahydroxyflavanone, a member of 4'-hydroxyflavanones and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. | CC(=C)[C@@H]1[C@@H]2[C@H]([C@]3([C@@]4(CO4)[C@H]5[C@@H]([C@]3([C@H]1C(=O)O2)O)O5)C)O | 0 |
Eudistomin C is an organic heterotetracyclic compound that has formula C14H16BrN3O2S. It is a natural product isolated from the Caribbean tunicate Eudistoma olivaceum and exhibits potent anti-tumor and antiviral activities. It has a role as an antiviral agent, a protein synthesis inhibitor, an antineoplastic agent, a marine metabolite and an animal metabolite. It is an organic heterotetracyclic compound, a member of phenols, an organobromine compound, a primary amino compound and an indole alkaloid. | CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O | 0 |
(S)-triadimefon is a 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one that is the (S)-enantiomer of triadimefon. It is an enantiomer of a (R)-triadimefon. | C(C([C@@H]1[C@@H]([C@@H]2C(O1)O[C@@H](O2)C(Cl)(Cl)Cl)O)O)O | 0 |
9beta,11beta-Epoxyandrost-4-ene-3,17-dione is a steroid. | CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C3=CN=CC=C3)C | 0 |
1-methylestra-1,3,5(10),6-tetraene-3,17beta-diol is a 3-hydroxy steroid and a 17beta-hydroxy steroid. It derives from a hydride of an estrane. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5 | 0 |
3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol is an androstanoid. | CN1C[C@@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5 | 0 |
2'-O-methylcytidine is a methylcytidine. | CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C(=CC(=O)C4)C)C)C | 0 |
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