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|---|---|---|
It is functionally related to an arbekacin.
|
Arbekacin sulfate is an aminoglycoside sulfate salt.
| 0 |
(+)-dihydrocarvone is a dihydrocarvone in (R,R) configuration.
|
It is an enantiomer of a (-)-dihydrocarvone.
| 0 |
Arbutamine is a catecholamine.
|
It has a role as a beta-adrenergic agonist and a cardiotonic drug.
| 0 |
It is a conjugate acid of a (S)-dihydroorotate.
|
It is an enantiomer of a (R)-dihydroorotic acid.
| 0 |
Fosthiazate is a phosphonic ester, an organic phosphonate and an organothiophosphate insecticide.
|
It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical and a nematicide.
| 0 |
Benzamidine(1+) is a carboxamidinium ion obtained by protonation of the amidino group of benzamidine.
|
It is a conjugate acid of a benzamidine.
| 0 |
Beta-cellobiose is a cellobiose with beta configuration at the reducing-end glucose residue.
|
It has a role as an epitope.
| 0 |
It derives from a hydride of an abieta-7,13-diene.
|
Abietol is an abietane diterpenoid having the skeleton of abietane with double bonds at C-7 and C-13 and a hydroxy function at C-18.
| 0 |
It is a long-chain fatty acid and a branched-chain saturated fatty acid.
|
12-methyltetradecanoic acid is a branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent.
| 0 |
It is a conjugate acid of an isophthalate(1-).
|
Isophthalic acid is a benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3.
| 0 |
It is a conjugate base of a ketanserin(1+).
|
It has a role as an alpha-adrenergic antagonist, a serotonergic antagonist, an antihypertensive agent, a cardiovascular drug and an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor.
| 0 |
4-hydroxybutyric acid is a 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group.
|
It is a 4-hydroxy monocarboxylic acid and a hydroxybutyric acid.
| 0 |
It is an organic heteropolycyclic compound and a dicarboximide.
|
It has a role as a fluorochrome.
| 0 |
It is a tautomer of an 8-hydroxyquinolin-2(1H)-one.
|
Quinoline-2,8-diol is a dihydroxyquinoline.
| 0 |
Bithionol is an aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine.
|
A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.
| 0 |
N,N-dimethylacetamide is a member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively.
|
It is a member of acetamides and a monocarboxylic acid amide.
| 0 |
It is a conjugate acid of a thiaminium carboxylate betaine.
|
It has a role as a bacterial metabolite and a rat metabolite.
| 0 |
It has a role as a marine xenobiotic metabolite and a drug metabolite.
|
It is a carbohydrazide and a monocarboxylic acid amide.
| 0 |
It has a role as a metabolite.
|
Phe-Glu is a dipeptide formed from L-phenylalanine and L-glutamic acid residues.
| 0 |
It has a role as an Escherichia coli metabolite and a mouse metabolite.
|
Lauroyl-CoA is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lauric (dodecanoic) acid.
| 0 |
1-amino-1-deoxy-scyllo-inositol 4-phosphate is a scyllo-inositol phosphate having a monophosphate group at the 4-position as well as the hydroxy group at the 1-position replaced by an amino group.
|
It is a conjugate acid of a 1-ammonio-1-deoxy-scyllo-inositol 4-phosphate(1-).
| 0 |
It is a benzyltetrahydroisoquinoline, a benzylisoquinoline alkaloid, a member of phenols and an aromatic ether.
|
It is functionally related to a norlaudanosoline.
| 0 |
It is an enantiomer of a (2R,4S)-ketoconazole.
|
(2S,4R)-ketoconazole is a cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2S,4R)-configuration.
| 0 |
2-isopropylphenol is a member of the class of phenols carrying an isopropyl group at position 2.
|
It derives from a hydride of a cumene.
| 0 |
It is an acetate ester and a benzyl ester.
|
It has a role as a metabolite.
| 0 |
It has a role as a human urinary metabolite and a human xenobiotic metabolite.
|
Tyramine sulfate is an aryl sulfate that is tyramine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group.
| 0 |
It is a monovalent inorganic anion and a chlorine oxoanion.
|
It is a conjugate base of a chloric acid.
| 0 |
It is an active metabolite of amitriptyline.
|
It has a role as a drug metabolite, an antidepressant, an adrenergic uptake inhibitor, an analgesic, an antineoplastic agent and an apoptosis inducer.
| 0 |
Alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose is a disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond.
|
It has a role as a metabolite.
| 0 |
It is functionally related to an adipic acid.
|
It is a 2-hydroxydicarboxylic acid and a dicarboxylic fatty acid.
| 0 |
It is a pyrimidone, an aminopyrimidine and a pyrimidine nucleobase.
|
2-amino-4-hydroxypyrimidine is an aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively.
| 0 |
It has a role as a carotenoid biosynthesis inhibitor.
|
Benzofenap is a member of acetophenones.
| 0 |
Tellurous acid is a tellurium oxoacid.
|
It is a conjugate acid of a hydrogentellurite.
| 0 |
Volkenin is a cyanogenic glycoside that is (4R)-4-hydroxycyclopent-2-ene-1-carbonitrile attached to a beta-D-glucopyranosyloxy at position 1.
|
It is a beta-D-glucoside, a cyanogenic glycoside, a monosaccharide derivative and an aliphatic nitrile.
| 0 |
It is a long-chain primary fatty alcohol and a fatty alcohol 13:0.
|
11-methyldodecan-1-ol is a long-chain fatty alcohol that is dodecan-1-ol bearing a methyl substituent at position 11.
| 0 |
It has a role as a fibroblast growth factor receptor antagonist, an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor.
|
It is functionally related to a PD-166866.
| 0 |
It has a role as an antifungal agent.
|
Exalamide is an benzamide that is salicylamide in which the phenolic hydroxy group has been converted into the corresponding hexyl ether.
| 0 |
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one is a member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one in which all or the hydrogens attached to the benzene ring are replaced by chlorines.
|
A fungicide used for the control of rice blast, it is not approved for use within the European Union.
| 0 |
4-acetamidobutanoyl-CoA is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-acetamidobutanoic acid.
|
It is functionally related to a butyryl-CoA.
| 0 |
It is a conjugate acid of a 3-hydroxydecanoate.
|
It has a role as an antimitotic and an Escherichia coli metabolite.
| 0 |
It is functionally related to a micronomicin.
|
Micronomicin sulfate is an aminoglycoside sulfate salt.
| 0 |
6-azauridine is a N-glycosyl-1,2,4-triazine.
|
It has a role as an antineoplastic agent, an antimetabolite and a drug metabolite.
| 0 |
N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine is an N-[4-(4-nitrophenylphospho)butanoyl]alanine that has R at the chiral carbon.
|
It has a role as an epitope.
| 0 |
Iron trichloride is an iron coordination entity.
|
It has a role as a Lewis acid and an astringent.
| 0 |
2-(chloromethyl)pyridine is an organochlorine compound that is pyridine substituted at position 2 by a chloromethyl group.
|
It is a member of pyridines and an organochlorine compound.
| 0 |
It is an (omega-1)-hydroxy fatty acid and a medium-chain fatty acid.
|
(10R)-10-hydroxyundecanoic acid is an (omega-1)-hydroxy fatty acid that is undecanoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group.
| 0 |
1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine is a tertiary amino compound that consists of cyclohexane having piperidin-1-yl and benzothiophen-2-yl groups attached at position 1.
|
It has a role as a dopamine uptake inhibitor.
| 0 |
It has a role as a dye and an allergen.
|
It has a role as a dye and an allergen.
| 0 |
It is an enantiomer of a dextropropoxyphene.
|
Levopropoxyphene is a 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate.
| 0 |
It is a polyphenol, a secondary amino compound, a member of benzyl alcohols and a secondary alcohol.
|
4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol is a secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group.
| 0 |
It is functionally related to a butan-1-ol and an acrylic acid.
|
Butyl acrylate is an acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid.
| 0 |
It is a member of hydroxybiphenyls and an organosulfinic acid.
|
2'-hydroxybiphenyl-2-sulfinic acid is an organosulfinic acid that is benzenesulfinic acid in which the hydrogen at position 2 has been replaced by a 2-hydroxyphenyl group.
| 0 |
Aurasperone C is a dimeric naphtho-gamma-pyrone with formula C31H28O12, originally isolated from Aspergillus niger It has a role as an Aspergillus metabolite and a marine metabolite.
|
It is an aromatic ether, an aromatic ketone, a biaryl, a cyclic hemiketal, a cyclic ketone, a naphtho-gamma-pyrone and a polyphenol.
| 0 |
It is a diterpene alkaloid, an ortho ester, an epoxide and a tertiary alpha-hydroxy ketone.
|
Daphnetoxin is a daphnane-type orthoester diterpene with potential cholesterol-lowering activity, found exclusively in plants of the family Thymelaeaceae.
| 0 |
It is a natural product found in oolong tea.
|
Theasinensin A is a biflavonoid that is obtained by coupling of two molecules of (-)-epigallocatechin 3-gallate resulting in a bond between positions C-2 of the hydroxyphenyl ring.
| 0 |
It has a role as a metabolite.
|
Streptidine is an amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups.
| 0 |
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile is a tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.
|
It is a tertiary amino compound, an aromatic ether, a polyether and a nitrile.
| 0 |
It has a role as a rodenticide.
|
Ethanethiol is an alkanethiol that is ethane substituted by a thiol group at position 1.
| 0 |
It is a thiazolidinemonocarboxylic acid and a thioproline.
|
It has a role as a metabolite and a geroprotector.
| 0 |
It is functionally related to a mitomycin C.
|
It has a role as an antineoplastic agent.
| 0 |
It is a secondary alcohol and an acetate ester.
|
3-hydroxynonyl acetate is an acetate ester resulting from the formal condensation of the carboxy group of acetic acid with 1-hydroxy group of nonane-1,3-diol.
| 0 |
It has a role as a fluorochrome and an anthelminthic drug.
|
Pibenzimol is a bibenzimidazole and a N-methylpiperazine.
| 0 |
Erythromycin ethylsuccinate is a erythromycin derivative that is erythromycin A in which the hydroxy group at position 3R is substituted by a (4-ethoxy-4-oxobutanoyl)oxy group.
|
It is a succinate ester, a cyclic ketone, an erythromycin derivative and an ethyl ester.
| 0 |
MCPA-thioethyl is an aromatic ether.
|
It has a role as a phenoxy herbicide.
| 0 |
It has a role as a human metabolite.
|
It is a conjugate acid of a 5-oxoprolinate.
| 0 |
It has a role as a xenoestrogen.
|
It is functionally related to a 17beta-estradiol.
| 0 |
It is a delta-lactone, a cyclic terpene ketone, an enone, a member of furans, a limonoid, a tetracyclic triterpenoid, an acetate ester and a tertiary alcohol.
|
Nimolicinol is a limonoid found in Azadirachta indica.
| 0 |
It has a role as an immunosuppressive agent and an antimicrobial agent.
|
Thiamphenicol is a sulfone and a monocarboxylic acid amide.
| 0 |
It is a member of azobenzenes and a tertiary amino compound.
|
It has a role as a carcinogenic agent.
| 0 |
It contains a hypochlorite.
|
It has a role as a bleaching agent.
| 0 |
A selective post-emergence herbicide.
|
It is a conjugate acid of a 4-(2,4-dichlorophenoxy)butanoate.
| 0 |
Tidiacic is an organooxygen compound and an organonitrogen compound.
|
It is functionally related to an alpha-amino acid.
| 0 |
It has a role as a chromogenic compound.
|
4-nitrophenyl N-acetyl-alpha-D-glucosaminide is an N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.
| 0 |
4-tolyl isocyanate is an isocyanate comprising a benzene core with isocyanato and methyl substituents para to each other.
|
It has a role as a hapten and an allergen.
| 0 |
(+)-rolipram is the (S)-enantiomer of rolipram.
|
It is an enantiomer of a (-)-rolipram.
| 0 |
It has a role as an Escherichia coli metabolite and a mouse metabolite.
|
It is a conjugate acid of an adenosine 3',5'-bismonophosphate(4-).
| 0 |
An antibiotic isolated from Erwinia uredovora.
|
It has a role as an anticonvulsant, an EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor and an anti-HIV agent.
| 0 |
It is functionally related to a 5-methyl-2-hexanone.
|
5-methylhexan-2-one oxime is a ketoxime derived from 5-methylhexan-2-one.
| 0 |
2,3-dimethylmalic acid is a 2-hydroxydicarboxylic acid that is malic acid substituted by methyl groups at positions 2 and 3.
|
It is functionally related to a malic acid.
| 0 |
Indoxyl is a member of the class of hydroxyindoles that is 1H-indole substituted by a hydroxy group at position 3.
|
It is a member of hydroxyindoles and a heteroaryl hydroxy compound.
| 0 |
It is functionally related to a malonic acid.
|
Isoprothiolane is a malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group.
| 0 |
Bisantrene is a hydrazone resulting from the formal condensation of both of the aldehyde groups of anthracene-9,10-dicarbaldehyde with 2-hydrazinyl-4,5-dihydro-1H-imidazole.
|
It has a role as an antineoplastic agent.
| 0 |
Alosetron is a pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position.
|
It is a pyridoindole and a member of imidazoles.
| 0 |
3-hydroxylauric acid is a medium-chain fatty acid that is the 3-hydroxylated derivative of lauric acid; associated with fatty acid metabolic disorders.
|
It is a conjugate acid of a 3-hydroxylaurate.
| 0 |
It has a role as a prodrug, an anticonvulsant, an anxiolytic drug and a GABA modulator.
|
Dipotassium clorazepate is the compound of monopotassium clorazepate with potassium hydroxide.
| 0 |
It is a naphthoisochromene, an aromatic ether, a member of phenols, an olefinic compound, a C-glycosyl compound, a tertiary amine and an acetate ester.
|
Ravidomycin is a C-glycosylated naphthoisochromene derivative obtained from Streptomyces ravidus; exhibits antibiotic and anticancer properties.
| 0 |
It is a manganese molecular entity and a metal oxide.
|
Manganese dioxide is a manganese molecular entity with formula MnO2.
| 0 |
It is functionally related to a L-2,4-diaminobutyric acid and an oxalic acid.
|
It is an alpha,omega-dicarboxylic acid and a monocarboxylic acid amide.
| 0 |
Perfluoroheptane is a fluorocarbon.
|
It derives from a hydride of a heptane.
| 0 |
Sirius scarlet GG (acid form) is an arenesulfonic acid that is 2-methoxybenzenesulfonic acid substituted at position 5 by a (4-amino-5-methoxy-2-methylphenyl)diazenyl group.
|
The sodium salt is the histological dye 'Sirius scarlet GG'.
| 0 |
It is functionally related to a trichloroacetic acid and an ethylene glycol.
|
TCA-ethadyl is a diester.
| 0 |
Trifluoro-L-methionine is an L-alpha-amino acid, methionine, with the S-methyl group trifluoro-substituted.
|
It is an organofluorine compound, a non-proteinogenic L-alpha-amino acid and a L-methionine derivative.
| 0 |
It has a role as a blood substitute.
|
It derives from a hydride of an isoquinoline.
| 0 |
It has a role as an antibacterial agent.
|
Alexidine is an amphipathic bisbiguanide with a structure consisting of two (2-ethylhexyl)guanide units linked by a hexamethylene bridge.
| 0 |
4-nitroaniline is a nitroaniline carrying a nitro group at position 4.
|
It has a role as a bacterial xenobiotic metabolite.
| 0 |
It is functionally related to a biphenyl-4-ol.
|
It is a member of hydroxybiphenyls and a dichlorobenzene.
| 0 |
It is a long-chain fatty acid and a straight-chain saturated fatty acid.
|
It has a role as a mammalian metabolite, a Daphnia magna metabolite and an algal metabolite.
| 0 |
It is a methionine derivative, a sulfone and a non-proteinogenic alpha-amino acid.
|
Methionine sulfone is a methionine derivative in which the sulfur has been oxidised to the corresponding sulfone.
| 0 |
Oryzalin is a sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group.
|
It has a role as a herbicide, an agrochemical and an antimitotic.
| 0 |
Isonicotinamide is a pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid.
|
It is functionally related to an isonicotinic acid.
| 0 |
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