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It is functionally related to a dihydroxyacetone. | 1-palmitoylglycerone 3-phosphate is a 1-acylglycerone 3-phosphate. | 0 |
(R)-pantothenate is a pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group. | It is a conjugate base of a (R)-pantothenic acid. | 0 |
It has a role as a human metabolite and a mouse metabolite. | It is functionally related to a 3alpha-hydroxy-5beta-androstan-17-one. | 0 |
It is a beta-amino acid, an amino dicarboxylic acid and a gamma-amino acid. | It is functionally related to an adipic acid. | 0 |
It has a role as a flavouring agent, a fragrance, an odorant receptor agonist, a plant metabolite, an EC 3.5.5.1 (nitrilase) inhibitor and an EC 3.1.1.3 (triacylglycerol lipase) inhibitor. | Benzaldehyde is an arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes. | 0 |
It is an imidazopyrimidine and a nitroso compound. | 3-nitroso-2-phenylimidazo[1,2-a]pyrimidine is a member of the class of imidazopyrimidines that is imidazo[1,2-a]pyrimidine substituted at positions 2 and 3 by phenyl and nitroso groups respectively. | 0 |
It is a lignan, a member of benzodioxoles and a furofuran. | It has a role as an antineoplastic agent, a neuroprotective agent and a plant metabolite. | 0 |
It is functionally related to a thymine. | 6-(1,3-dihydroxyisobutyl)thymine is a pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 1,3-dihydroxyisobutyl group. | 0 |
Zonisamide is a 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position. | It has a role as an anticonvulsant, an antioxidant, a central nervous system drug, a protective agent and a T-type calcium channel blocker. | 0 |
Cyclohexane is an alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. | It is a cycloalkane and a volatile organic compound. | 0 |
Dimethyl 3,4-dihydroxyfuran-2,5-dicarboxylate is a carboxylic ester. | It is functionally related to a 2-furoic acid. | 0 |
It has a role as a xenobiotic, an environmental contaminant, a psychotropic drug and a serotonergic agonist. | 1-benzylpiperazine is a tertiary amino compound that is piperazine substituted by a benzyl group at position 1. | 0 |
It is functionally related to a hexaethylene glycol. | Hexaethylene glycol monomethyl ether is a hydroxypolyether. | 0 |
10-deacetyl-2-debenzoylbaccatin III is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. | It is functionally related to a baccatin III. | 0 |
It is functionally related to a 4-hydroxy-N,N-dimethylbenzenesulfonamide. | Famphur is an organic thiophosphate and an organothiophosphate insecticide. | 0 |
2',6'-dihydroxy-4'-methoxydihydrochalcone is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 2' and 6' and a methoxy group at position 4' respectively. | It is a member of dihydrochalcones, a polyphenol and a monomethoxybenzene. | 0 |
Delavirdine mesylate is the monomethanesulfonic acid salt of delavirdine, a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. | It contains a delavirdine. | 0 |
It contains a dTMP 3'-end residue, a dTMP 5'-end residue and a thymidine 5'-monophosphate residue. | D(pT)3 is a single-stranded DNA oligonucleotide composed of three deoxythymidylic acid residues connected by 3'->5' phosphodiester linkages and terminated by a 5'-phosphate. | 0 |
It is a conjugate acid of a 4-fluorobenzoate. | It has a role as a bacterial xenobiotic metabolite. | 0 |
It has a role as a plant metabolite and a bacterial metabolite. | It derives from a hydride of a hopane. | 0 |
Oxamide is a dicarboxylic acid diamide of oxalic acid. | It is functionally related to an oxalic acid. | 0 |
Salicyl alcohol is a hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. | It is functionally related to a phenol and a benzyl alcohol. | 0 |
It has a role as an EC 1.14.14.14 (aromatase) inhibitor, an antineoplastic agent, an environmental contaminant and a xenobiotic. | Exemestane is a 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. | 0 |
N-acetyl-D-hexosamine is any N-acetylhexosamine in which the hexosamine has D-configuration. | The structure provided is an illustrative example of the pyranose form of an N-acetyl-D-hexosamine. | 0 |
It is a L-cysteine thioether and a non-proteinogenic L-alpha-amino acid. | It is a conjugate acid of a S-carboxylatomethyl-L-cysteine(1-). | 0 |
It has a role as a radioopaque medium and a non-polar solvent. | It derives from a hydride of a hexane. | 0 |
It is functionally related to a gamma-aminobutyric acid. | It is a primary amino compound, an amino acid ester and a methyl ester. | 0 |
It is a 3-oxo-Delta(4) steroid, an 11-oxo steroid, a 20-oxo steroid and a fluorinated steroid. | 9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione is a fluorinated steroid that is pregn-4-ene substituted by a fluoro group at position 2, a methyl group at position 2 and oxo groups at positions 3, 11 and 20. | 0 |
It has a role as a human metabolite. | Acrylate is a monocarboxylic acid anion. | 0 |
It is functionally related to a pyruvic acid. | 3-fluoropyruvic acid is a pyruvic acid derivative having a 3-fluoro substituent. | 0 |
2,5-dichlorohydroquinone is a dichlorohydroquinone that is hydroquinone substituted by chloro groups at positions 2 and 5 respectively. | It has a role as a bacterial xenobiotic metabolite. | 0 |
(+)-camphene is a camphene (2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) that has R configuration at position 1 and S configuration at position 4. | It is an enantiomer of a (-)-camphene. | 0 |
It is a perchlorometallate anion and an iridium coordination entity. | Hexachloroiridate(2-) is a perchlorometallate anion having six chlorines and rhodium(IV) as the metal component. | 0 |
Sucrose is a glycosyl glycoside formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose. | It has a role as an osmolyte, a sweetening agent, a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. | 0 |
It is a conjugate base of a tert-butylammonium. | Tert-butylamine is a primary aliphatic amine that is ethylamine substituted by two methyl groups at position 1. | 0 |
Sennoside B is a member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. | It is a member of sennosides and an oxo dicarboxylic acid. | 0 |
Meso-tartrate(2-) is a 2,3-dihydroxybutanedioate. | It is a conjugate base of a meso-tartrate(1-). | 0 |
4-chloro-m-cresol is a hydroxytoluene that is 3-methylphenol which is substituted by a chlorine at position 4. | It is a hydroxytoluene and a member of monochlorobenzenes. | 0 |
It has a role as an antifungal agrochemical. | Captafol is a dicarboximide that captan in which the trichloromethyl group is replaced by a 1,1,2,2-tetrachloroethyl group. | 0 |
It is a methylbenzene, a 1,3-thiazine and a secondary amino compound. | Xylazine is a methyl benzene that is 1,3-dimethylbenzene which is substituted by a 5,6-dihydro-4H-1,3-thiazin-2-ylnitrilo group at position 2. | 0 |
Potassium tetracyanonickelate(2-) is a potassium salt. | It contains a tetracyanonickelate(2-). | 0 |
It has a role as a chelator. | It is a polyamino carboxylic acid and a tetracarboxylic acid. | 0 |
It is a conjugate base of a benzoic acid. | Benzoate is the simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1. | 0 |
Kanamycin C is a member of kanamycins. | It is a conjugate base of a kanamycin C(4+). | 0 |
It is functionally related to a bolandiol. | Bolandiol dipropionate is a steroid ester resulting from the formal condensation of the carboxy group of propanoic acid with the 3beta and 17beta hydroxy groups of bolandiol. | 0 |
2alpha-Methyl-5alpha-androstane-3beta,17beta-diol is a 3-hydroxy steroid. | It has a role as an androgen. | 0 |
It is functionally related to a dicarbonic acid. | Tert-butoxycarbonyl anhydride is an acyclic carboxylic anhydride. | 0 |
A sterol demethylation inhibitor, it is used as a fungicide for the control of powdery mildew, scab and other diseases on a variety of crops. | It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. | 0 |
It has a role as an anti-estrogen and a human xenobiotic metabolite. | It is functionally related to a propan-2-ol. | 0 |
Ethoxide is an organic anion that is the conjugate base of ethanol. | It is a conjugate base of an ethanol. | 0 |
It is the most common isomer of dinitrotoluene. | 2,4-dinitrotoluene is a dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. | 0 |
2-methylthio-1,3-benzothiazole is an organic sulfide that is the methyl thioether of 1,3-benzothiazole-2-thiol. | It is a member of benzothiazoles and a methyl sulfide. | 0 |
It has a role as an androgen. | Oranabol is a 3-hydroxy steroid. | 0 |
It has a role as a metabolite. | It is an aliphatic sulfide and a diol. | 0 |
It is functionally related to a 1,3-difluorobenzene. | 2,6-difluorobenzenesulfonamide is a sulfonamide. | 0 |
Taraxerol is a pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15. | It has a role as a metabolite. | 0 |
Also known as neopatulin, it is a mycotoxic substance produced by Aspergillus and Penicillium species. | Isopatulin is a furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 4 an 6 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. | 0 |
It is an aromatic ether, a poly(ethylene glycol) derivative and a hydroxypolyether. | A nonionic, non-denaturing detergent, it is used for solubilising membrane proteins during isolation of membrane-protein complexes. | 0 |
It is a conjugate acid of a D-glutaminate. | It has a role as a mouse metabolite. | 0 |
It is a conjugate acid of a 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate(1-). | It derives from a hydride of a 5beta-cholestane. | 0 |
It has a role as a ryanodine receptor agonist, a GABA-gated chloride channel antagonist, a GABA antagonist, an apoptosis inhibitor, an antineoplastic agent, an angiogenesis inhibitor, a purinergic receptor P2 antagonist, an EC 2.7.11.13 (protein kinase C) inhibitor, an antinematodal drug and a trypanocidal drug. | It is a conjugate acid of a suramin(6-). | 0 |
It is a member of validamycins, a secondary amino compound, a polyol and an antibiotic fungicide. | Validamycin A is a member of the class of validamycins that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which the hydroxy group at position 1 has been converted to its beta-D-glucoside and in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. | 0 |
It is functionally related to an ethynodiol. | It has a role as an estrogen receptor modulator, a contraceptive drug and a synthetic oral contraceptive. | 0 |
It has a role as a neuroprotective agent and a spin trapping reagent. | Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation. | 0 |
Benzoic anhydride is an acyclic carboxylic anhydride. | It is functionally related to a benzoic acid. | 0 |
Methyl methanesulfonate is a methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol. | It has a role as an alkylating agent, a genotoxin, a carcinogenic agent, a mutagen and an apoptosis inducer. | 0 |
Stigmatellin A is a member of the class of chromones that is isolated from Stigmatella aurantiaca Sg a15. | It is a member of chromones, a member of phenols, an aromatic ether and an olefinic compound. | 0 |
It is a conjugate acid of a (S)-versiconol(1-). | (S)-versiconol is an optically active form of versiconol having S-configuration. | 0 |
It is a conjugate base of a malvidin 3-O-beta-D-glucoside. | It is the major microspecies at pH 7.3. | 0 |
4-ethenyl-1,2-dimethylbenzene is a member of the class of styrenes that is 1,2-dimethylbenzene substituted by a vinyl group at position 4. | It has a role as a plant metabolite and a volatile oil component. | 0 |
It is a conjugate acid of a (2R)-homocitrate(3-). | It is an enantiomer of a (2S)-homocitric acid. | 0 |
It derives from a hydride of an azulene. | It has a role as a metabolite. | 0 |
It is a diester and an acetate ester. | It has a role as a metabolite. | 0 |
It has a role as a human xenobiotic metabolite. | Cyclohexanone is a cyclic ketone that consists of cyclohexane bearing a single oxo substituent. | 0 |
Acetic anhydride is an acyclic carboxylic anhydride derived from acetic acid. | It has a role as a metabolite and a reagent. | 0 |
The disodium salt is the biological stain 'acid red 29'. | 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid is a naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid carrying two additional hydroxy substituents at positions 4 and 5 as well as a phenyldiazenyl substituent at position 3. | 0 |
(R)-(+)-citronellol is a citronellol that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7 (the 3R-enantiomer). | It is an enantiomer of a (S)-(-)-citronellol. | 0 |
It is functionally related to a progesterone. | 12alpha-hydroxyprogesterone is a 12alpha-hydroxy steroid. | 0 |
It is a tertiary amino compound and an organobromine compound. | An antihistamine with antimicrobial properties, it is used in the control of cutaneous allergies. | 0 |
(S)-ATPA is a non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-tert-butyl-3-hydroxy-isooxazol-4-yl group. | It has a role as a metabolite. | 0 |
It has a role as a calmodulin antagonist and an apoptosis inducer. | It acts as an antagonist of calmodulin, a calcium binding messenger protein. | 0 |
It derives from a hydride of a tetrahedrane. | Tetra-tert-butyltetrahedrane is a polycyclic alkane that is tetrahedrane in which each of the hydrogens is substituted by a tert-butyl group. | 0 |
It derives from a hydride of a piperidine. | It is a member of piperidines and a member of benzenes. | 0 |
It is a conjugate base of an ammonioacetone. | It has a role as an Escherichia coli metabolite and a mouse metabolite. | 0 |
Pentamethonium is a quarternary ammonium cation that is cadaverine in which the terminal amino hydrogens are substituted methyl groups. | Its bromide and iodide salt exhibits ganglionic blocking activity and used in the treatment of hypertension. | 0 |
It is functionally related to a 2-furoic acid. | Methyl 2-Furancarboxylate is a carboxylic ester. | 0 |
It is a conjugate acid of a thiophosphate(2-). | Phosphorothioic O,O,O-acid is a phosphorothioic acid. | 0 |
It has a role as a human metabolite, a plant metabolite and a mouse metabolite. | It is an aminoalkylindole, an indole alkaloid, an aralkylamino compound and a member of tryptamines. | 0 |
It is a carboxylic ester, a member of piperidines and a tertiary amino compound. | It has a role as a muscarinic antagonist. | 0 |
It has a role as an antifungal agent, a protein synthesis inhibitor and an antineoplastic agent. | It is an epoxide and an organic heterotetracyclic compound. | 0 |
It has a role as an antioxidant, an antineoplastic agent and a plant metabolite. | It is a monomethoxyflavanone, a trihydroxyflavanone, a member of 3'-hydroxyflavanones and a member of 4'-methoxyflavanones. | 0 |
It has a role as a catalyst, a reagent and an antioxidant. | Triethylenediamine is an organic heterobicylic compound that is piperazine with an ethane-1,2-diyl group forming a bridge between N1 and N4. | 0 |
It is a conjugate base of an ibogamine(1+). | Ibogamine is a monoterpenoid indole alkaloid with formula C19H24N2. | 0 |
It has a role as a plant metabolite, an apoptosis inducer, a hypoglycemic agent, an angiogenesis inhibitor, an antineoplastic agent, an antioxidant and an anti-inflammatory agent. | Cafestol is an organic heteropentacyclic compound and furan diterpenoid with formula C20H28O3 obtained from the unsaponifiable fraction of coffee oil (a lipid fraction obtained from coffee beans by organic solvent extraction). | 0 |
It has a role as a bacterial xenobiotic metabolite. | It is a N-methyl-L-alpha-amino acid and a methyl-L-glutamic acid. | 0 |
Dimethisterone is a 3-hydroxy steroid. | It has a role as an androgen. | 0 |
2,4,4',6-tetrachlorobiphenyl is a tetrachlorobiphenyl that is 1,3,5-trichlorobenzene in which one of the hydrogens is replaced by a p-chlorophenyl group. | It is a tetrachlorobiphenyl, a trichlorobenzene and a member of monochlorobenzenes. | 0 |
Siderochelin C is an organonitrogen compound and an organooxygen compound. | It is functionally related to an alpha-amino acid. | 0 |
It has a role as an agrochemical and an insecticide. | 3,4,5-trimethylphenyl methylcarbamate is a carbamate ester that consists of 3,4,5-trimethylphenol carrying an O-(N-methylcarbamoyl) group. | 0 |
Valpromide is a fatty amide derived from valproic acid. | It is functionally related to a valproic acid. | 0 |
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