anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1C[NH+]([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@H]1O)C is an ammonium ion obtained by the protonation of the tertiary amino group of the fumigaclavine B; major species pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a fumigaclavine B.
The molecule [H]C(=O)c1c(OC)cc(oc1=O)[C@@H]1[C@H](C)C=C[C@]2([H])CCCC[C@@]12[H] [H]C(=O)c1c(OC)cc(oc1=O)[C@@H]1[C@H](C)C=C[C@]2([H])CCCC[C@@]12[H] is solanapyrone D.  It is also related to or classified as solanapyrone  . It is also related to or classified as octahydronaphthalenes , pyrancarbaldehyde .
The molecule [H+].COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1 [H+].COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1 is A singly-charged organic cation obtained by protonation of 4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide. It is a conjugate acid of 4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule [H]C(=O)c1c(NCCO)cc(oc1=O)[C@@H]1[C@@H](C)C=C[C@@]2([H])CCCC[C@@]12[H] [H]C(=O)c1c(NCCO)cc(oc1=O)[C@@H]1[C@@H](C)C=C[C@@]2([H])CCCC[C@@]12[H] is solanapyrone C.  It is also related to or classified as solanapyrone  . It is also related to or classified as octahydronaphthalenes , pyrancarbaldehyde .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)O is an icosadienoic acid with double bonds at positions 11 and 14 (both Z). It has a role as a metabolite. It is a conjugate acid of an (11Z,14Z)-icosadienoate. It derives from a hydride of an icosanoic acid.
The molecule O(C=1C=C(CCC(=NO)C)C=CC1O)C O(C=1C=C(CCC(=NO)C)C=CC1O)C is 4-(4-hydroxy-3-methoxyphenyl)butan-2-one oxime. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule OC(CC(CC)O)=O OC(CC(CC)O)=O is A short-chain fatty acid that is valeric acid in which one of the methylene hydrogens at position 3 has been replaced by a hydroxy group. Its functional parent is valeric acid . It is also related to or classified as short-chain fatty acid  . It is also related to or classified as 3-hydroxy fatty acid  . It is also related to or classified as ketone body .
The molecule CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C is A 3-oxo-Delta(4) steroid that is gon-4-en-3-one that carries ethyl, hydroxy, and ethynyl groups at positions 13, 17 and 17, respectively.  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as 17-hydroxy steroid .
The molecule CN1CCC2=C(C1)C1=C(CC3=C2C=CC=C3)C=CC=C1 CN1CCC2=C(C1)C1=C(CC3=C2C=CC=C3)C=CC=C1 is A tetracyclic antidepressant that is 2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine carrying a methyl group at position 2. Its maleate salt is used for the treatment of depression in Japan. It has the role of alpha-adrenergic antagonist . It has the role of serotonergic antagonist . It is also related to or classified as tetracyclic antidepressant , tertiary amino compound .
The molecule C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)[O-])[NH3+] is zwitterionic form of L-dopaquinone arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a L-dopaquinone.
The molecule C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O is a myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 5-position. It has a role as a metabolite. It is a myricetin O-glucuronide, a pentahydroxyflavone, a member of flavonols and a monosaccharide derivative.
The molecule C[n+]1ccc(cc1)-c1ccccc1 C[n+]1ccc(cc1)-c1ccccc1 is A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position. It has the role of herbicide . It has the role of neurotoxin . It has the role of apoptosis inducer . It has the role of human xenobiotic metabolite . It is also related to or classified as pyridinium ion .
The molecule S(OCC1OC(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C(O)C(O)C1O)(O)(=O)=O S(OCC1OC(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C(O)C(O)C1O)(O)(=O)=O is 1-O-Caffeoyl-(b-D-glucose 6-O-sulfate). Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .
The molecule CC(=C)C1CCC(=CC1)C(=O)[O-] is the monocarboxylic acid anion formed by loss of a proton from the carboxy group of perillic acid; principal microspecies at pH 7.3. It is a conjugate base of a perillic acid.
The molecule COc1cc(\C=C\CCCC\C=C\C=C\C)oc(=O)c1CO COc1cc(\C=C\CCCC\C=C\C=C\C)oc(=O)c1CO is A prosolanapyrone that is prosolanapyrone I in which one of the hydrogens of the methyl substituent at position 3 of the pyrone ring is substituted by a hydroxy group. It is also related to or classified as primary alcohol  . It is also related to or classified as prosolanapyrone .
The molecule CC(=CCC1=C(C=CC(=C1)C2=CC(=C3C4=CC(=C(C=C4OC3=C2OC)OC)O)OC)O)C is a member of the class of dibenzofurans that is 3,6,9-trimethoxydibenzo[b,d]furan-2-ol substituted by a 4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl substituent at position 3. It has been isolated from Aspergillus taichungensis. It has a role as an Aspergillus metabolite and an antineoplastic agent. It is an aromatic ether, a member of dibenzofurans and a member of phenols.
The molecule C1[C@@]2([C@@]([C@@]3(C([C@@H]1O)=CC(CC3)=O)C)([C@H](C[C@@]4([C@@](CC[C@@]24[H])(O)C(CO)=O)C)O)[H])[H] C1[C@@]2([C@@]([C@@]3(C([C@@H]1O)=CC(CC3)=O)C)([C@H](C[C@@]4([C@@](CC[C@@]24[H])(O)C(CO)=O)C)O)[H])[H] is A C21-steroid that is cortisol bearing an additional hydroxy substituent at the 6beta-position. In humans, it is produced as a metabolite of cortisol by cytochrome p450-3A4 (CYP3A4, an important enzyme involved in the metabolism of a variety of exogenous and endogenous compounds) and can be used to detect moderate and potent CYP3A4 inhibition in vivo. It has the role of probe . It has the role of mammalian metabolite . It has the role of human metabolite . Its functional parent is cortisol . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .   It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as C21-steroid  . It is also related to or classified as 17alpha-hydroxy steroid , 21-hydroxy steroid , 6beta-hydroxy steroid , 20-oxo steroid .
The molecule Cl.OCCNCCCOC1=C(Cl)C(Cl)=CC=C1 Cl.OCCNCCCOC1=C(Cl)C(Cl)=CC=C1 is 2,3-DCPE hydrochloride is a selectively induces apoptosis and downregulates Bcl-XL protein expression in various human cancer cells versus normal cells in vitro. It is also related to or classified as organic molecular entity .
The molecule S(NC(C=C(C)C)=O)(=O)(=O)C1=CC=C(C=C1)N S(NC(C=C(C)C)=O)(=O)(=O)C1=CC=C(C=C1)N is sulfadicramide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule C[N+](C)(C)C[C@H](CC(=O)[O-])O is the (S)-enantiomer of carnitine. It is a conjugate base of a (S)-carnitinium. It is an enantiomer of a (R)-carnitine.
The molecule Cl.COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1 Cl.COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1 is A hydrochloride salt that is obtained by reaction of 4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide with one equivalent of hydrogen chloride. Highly potent selective 5-HT1A receptor full agonist (pKi values are 9.0, 6.6, 7.5, 6.6 and < 6.0 for 5-HT1A, 5-HT1B, 5-HT1C, 5-HT2 and 5-HT3 receptors respectively). Possibly binds between the agonist binding site and the G protein interaction switch site, affecting the activation mechanism, and may display positive cooperativity. Anxiolytic following central administration in vivo. It has the role of anxiolytic drug . It has the role of serotonergic agonist . It is also related to or classified as hydrochloride .
The molecule S1C(NC(C1)C(O)=O)C(C)(C)C S1C(NC(C1)C(O)=O)C(C)(C)C is 2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(C[C@H](CC)O)=O OC(C[C@H](CC)O)=O is A 3-hydroxypentanoic acid in which the chiral centre at position 3 has S-configuration. It is a conjugate acid of (S)-3-hydroxypentanoate . It is also related to or classified as 3-hydroxypentanoic acid  .
The molecule C(=C/C(NCC)=O)\C1=CC(Br)=CC=C1 C(=C/C(NCC)=O)\C1=CC(Br)=CC=C1 is cinromide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O is a member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. It has a role as an antiprotozoal drug, a fluorescent probe, a calcium ionophore and an antibacterial drug. It is a member of monochlorobenzenes, a tertiary amino compound, a tertiary alcohol, a monocarboxylic acid amide, a tertiary alpha-hydroxy ketone and a member of tetracyclines. It is a conjugate acid of a chlortetracycline(1-).
The molecule NNC(N)=N NNC(N)=N is A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide. It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It is also related to or classified as guanidines , one-carbon compound .
The molecule CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O is A benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as its hydrochloride salt) as a prodrug for the angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of prodrug . Its functional parent is benazeprilat . It is also related to or classified as ethyl ester  . It is also related to or classified as lactam  . It is also related to or classified as benzazepine  . It is also related to or classified as dicarboxylic acid monoester .
The molecule FCCCCCN1N=C(C(=O)NC23CC4CC(C2)CC(C3)C4)C=5C1=CC=CC5 FCCCCCN1N=C(C(=O)NC23CC4CC(C2)CC(C3)C4)C=5C1=CC=CC5 is AKB48 N-(5-Fluoropentyl) analog. It is also related to or classified as indazoles , aromatic amide .
The molecule COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 is A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist. It has the role of alpha-adrenergic antagonist . It is also related to or classified as aromatic ether , secondary amino compound , benzodioxine .
The molecule CNC1=CC(=O)C2=NNC=C2C1=O CNC1=CC(=O)C2=NNC=C2C1=O is A member of the class of indazoles that is 4,7-dihydro-2H-indazole substituted by oxo groups at positions 4 and 7, and a methylamino group at position 5. It is produced by Streptomyces albus J1074 mutant strain. It has the role of radical scavenger . It has the role of bacterial metabolite . It is also related to or classified as indazoles , cyclic ketone , secondary amino compound .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)N)O)CO)CO)N)O)O)O is an amino trisaccharide comprising of three 2-amino-2-deoxy-D-glucopyranose units joined by beta-(1->4) linkages. It has a role as a marine metabolite and a eukaryotic metabolite.
The molecule [H][C@]12CCCC[C@@]1([H])[C@@H]([C@@H](C)C=C2)c1cc(OC)c(CO)c(=O)o1 [H][C@]12CCCC[C@@]1([H])[C@@H]([C@@H](C)C=C2)c1cc(OC)c(CO)c(=O)o1 is solanapyrone B.  It is also related to or classified as solanapyrone  . It is also related to or classified as octahydronaphthalenes .
The molecule C1[C@@]2([C@@]([C@@]3(C([C@@H]1O)=CC(CC3)=O)C)(C(C[C@@]4([C@@](CC[C@@]24[H])(O)C(CO)=O)C)=O)[H])[H] C1[C@@]2([C@@]([C@@]3(C([C@@H]1O)=CC(CC3)=O)C)(C(C[C@@]4([C@@](CC[C@@]24[H])(O)C(CO)=O)C)=O)[H])[H] is A  C21-steroid that is cortisone bearing an additional hydroxy substituent at the 6beta-position. It is produced as a metabolite of cortisol by cytochrome p450-3A4 (CYP3A4, an important enzyme involved in the metabolism of a variety of exogenous and endogenous compounds) and can be used to detect moderate and potent CYP3A4 inhibition in vivo. It has the role of probe . It has the role of human metabolite . Its functional parent is cortisone . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .     It is also related to or classified as 11-oxo steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as C21-steroid  . It is also related to or classified as 17alpha-hydroxy steroid , 21-hydroxy steroid , 6beta-hydroxy steroid , 20-oxo steroid .
The molecule O=C1C(I)=CNC(N1)=S O=C1C(I)=CNC(N1)=S is iodothiouracil. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .
The molecule COC1=CC(=CC2=C1O[C@@H]([C@H]2C(=O)[O-])C3=CC(=C(C=C3)O)OC)/C=C/C(=O)[O-] is a dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (+)-DCA-CC; major species at pH 7.3. It is a conjugate base of a (+)-DCA-CC. It is an enantiomer of a (-)-DCA-CC(2-).
The molecule [H][C@]12[C@@H](O)CCN1C[C@H](O)[C@@H](O)[C@@H]2O [H][C@]12[C@@H](O)CCN1C[C@H](O)[C@@H](O)[C@@H]2O is A tetrahydroxyindolizidine alkaloid that consists of octahydroindolizine having four hydroxy substituents located at positions 1, 6, 7 and 8 (the 1S,6S,7R,8R,8aR-diastereomer). It has the role of metabolite . It has the role of EC 3.2.1.* (glycosidase) inhibitor . It has the role of anti-HIV-1 agent . It has the role of anti-inflammatory agent . It is also related to or classified as indolizidine alkaloid .
The molecule COc1cccc(OC)c1OCC[NH2+]CC1COc2ccccc2O1 COc1cccc(OC)c1OCC[NH2+]CC1COc2ccccc2O1 is an organic cation obtained by protonation of the secondary amino function of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine. It is a conjugate acid of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule OC(=O)C1NCCS1 OC(=O)C1NCCS1 is A thiazolidinemonocarboxylic acid that is 1,3-thiazolidine substituted by a carboxy group at position 2. It is also related to or classified as thiazolidinemonocarboxylic acid .
The molecule O(C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)CC O(C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)CC is gamma-Linolenic acid ethyl ester. It is also related to or classified as long-chain fatty acid ethyl ester  .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O is an N-acylsphingosine that has omega-hydroxytriacontanoyl as the acyl group. A bioactive sphingolipid found in the stratum corneum layer of mammalian epidermis. It is a N-acylsphingosine and an omega-hydroxy-ultra-long chain fatty acylceramide. It derives from an omega-hydroxytriacontanoic acid.
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C[C@H](CC)O)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C[C@H](CC)O)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O is A 3-hydroxy fatty acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxypentanoic acid. Its functional parent is (S)-3-hydroxypentanoic acid . It is a conjugate acid of (S)-3-hydroxypentanoyl-CoA(4-) . It is also related to or classified as 3-hydroxy fatty acyl-CoA  . It is also related to or classified as 3-hydroxypentanoyl-CoA(4-)  . It is also related to or classified as short-chain fatty acyl-CoA .
The molecule C(=S)(C1=CC(OC)=C(C=C1)O)N2CCOCC2 C(=S)(C1=CC(OC)=C(C=C1)O)N2CCOCC2 is vanitiolide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC(=O)[O-])O is an acyl-CoA oxoanion that is the pentaanion of hexadecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is a conjugate base of a hexadecanedioyl-CoA.
The molecule [K+].[O-]Br(=O)=O [K+].[O-]Br(=O)=O is potassium bromate. It has the role of flour treatment agent . It is also related to or classified as bromate salt , potassium salt .
The molecule C[C@H](O)[C@@H]([NH3+])C(O)=O C[C@H](O)[C@@H]([NH3+])C(O)=O is the D-enantiomer of threoninium. It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of D-threonine . It is also related to or classified as threoninium  .
The molecule CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O is an oxylipin that is the (5S,6S)-epoxy-(15S)-hydroxy derivative of 7E,9E,11Z,13E-icosa-7,9,11,13-tetraenoic acid. It has the role of metabolite . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as polyunsaturated fatty acid , oxylipin .
The molecule C1=C2C(=C(C=C(C1=O)O)[O-])C(=O)OC2=O is conjugate base of stipitatonic acid arising from selective deprotonation of the 4-hydroxy group; major species at pH 7.3. It is a conjugate base of a stipitatonic acid.
The molecule [C@@H]1(C(C(OC1)=O)C(CCCCC(C)C)=O)COP(O)(=O)O [C@@H]1(C(C(OC1)=O)C(CCCCC(C)C)=O)COP(O)(=O)O is A butan-4-olide that is (5-oxooxolan-3-yl)methyl phosphate carrying an additional 6-methylheptanoyl substituent at position 4. It has the role of bacterial metabolite . It is a conjugate acid of [(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2-) . It is also related to or classified as butan-4-olide , monoalkyl phosphate , beta-ketoester .
The molecule N[C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H](O)[C@@H]1O N[C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H](O)[C@@H]1O is A UDP-amino sugar having alpha-D-galactosamine as the amino-sugar component. It is a conjugate acid of UDP-alpha-D-galactosamine(1-) . It is also related to or classified as UDP-amino sugar .
The molecule COC1=C(C2=C(C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC is the (S)-enantiomer of canadine. It has a role as a plant metabolite. It derives from a (S)-nandinine. It is an enantiomer of a (R)-canadine.
The molecule Cl.COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Cl.COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 is A hydrochloride salt that is obtained by reaction of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine with one equivalent of hydrogen chloride. An alpha1A-adrenergic selective antagonist. It has the role of alpha-adrenergic antagonist . It is also related to or classified as hydrochloride .
The molecule O(C1=C(OC)C=C(C=C1OC)C=NNC(=O)C=2C=CC=NC2)C O(C1=C(OC)C=C(C=C1OC)C=NNC(=O)C=2C=CC=NC2)C is N'3-(3,4,5-trimethoxybenzylidene)pyridine-3-carbohydrazide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule CCCCCCCCCCCCC[C@@H](O)CC(=O)OC CCCCCCCCCCCCC[C@@H](O)CC(=O)OC is methyl (R)-3-hydroxypalmitate. Its functional parent is (R)-3-hydroxypalmitic acid . It is also related to or classified as methyl 3-hydroxypalmitate  .
The molecule C1(C)(C)CCC(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C)CO)=O C1(C)(C)CCC(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C)CO)=O is A retinoid anion that is the conjugate base of all-trans-4-oxo-18-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as retinoid anion , oxo monocarboxylic acid anion , hydroxy monocarboxylic acid anion .
The molecule CN(C)CC1=CC=C(C=C1)S(=O)(=O)N1C=CC(\C=C\C(=O)NO)=C1 CN(C)CC1=CC=C(C=C1)S(=O)(=O)N1C=CC(\C=C\C(=O)NO)=C1 is an enamide resulting from the formal condensation of the carboxy group of (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]prop-2-enoic acid with the amino group of hydroxylamine. It is an orally bioavailable inhibitor of histone deacetylases with potential antineoplastic activity. It has the role of antineoplastic agent . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of apoptosis inducer .    It is also related to or classified as sulfonamide  .  It is also related to or classified as enamide  . It is also related to or classified as benzenes , hydroxamic acid , pyrroles , tertiary amino compound .
The molecule C1(N(C(N)=NC(=N1)N)C2=CC=C(C=C2)Cl)(C)C C1(N(C(N)=NC(=N1)N)C2=CC=C(C=C2)Cl)(C)C is A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil. It has the role of antiinfective agent . It has the role of antiparasitic agent . It has the role of antiprotozoal drug . It has the role of antimalarial . It has the role of EC 1.5.1.3 (dihydrofolate reductase) inhibitor . It has the role of antifolate . It is also related to or classified as triazines .
The molecule CC1=CC(=O)C(C1(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2,3,3-trimethyl-5-oxocyclopent-3-enyl)acetic acid. It derives from a (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid and a coenzyme A.
The molecule NC1=C(O)C=CC(C([O-])=O)=C1O NC1=C(O)C=CC(C([O-])=O)=C1O is an aminobenzoate that is the conjugate base of 3-amino-2,4-dihydroxybenzoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as dihydroxybenzoate  . It is also related to or classified as aminobenzoate .
The molecule CNC1=CC(=O)C2=C(C=NC(C)=C2C)C1=O CNC1=CC(=O)C2=C(C=NC(C)=C2C)C1=O is A member of the class of isoquinolines that is 5,8-dihydroisoquinoline substituted by methyl, methyl, oxo, methylamino and oxo groups at positions 3, 4, 5, 7 and 8, respectively. It was isolated from Streptomyces Sp. strain Mei37 from North Sea coast, Germany. It has the role of antibacterial agent . It has the role of marine metabolite . It has the role of bacterial metabolite . It is also related to or classified as isoquinolines , p-quinones , secondary amino compound .
The molecule COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2C3=CC(=C(C=C3CC[NH2+]2)O)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O is the ammonium ion resulting from addition of a proton to the nitrogen of deacetylisoipecoside. It is an ammonium ion derivative and an organic anion. It is a conjugate acid of a deacetylisoipecoside.
The molecule C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 is an N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes). It has the role of dopamine uptake inhibitor . It is also related to or classified as ether  . It is also related to or classified as N-alkylpiperazine , tertiary amino compound .
The molecule [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C is dydrogesterone. It has the role of progestin .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 20-oxo steroid .