anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/C[C@H](C=C)O [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/C[C@H](C=C)O is (Z)-progoitrin(1-). It is also related to or classified as (Z)-glucosinolate(1-)  . It is also related to or classified as progoitrin(1-)  .
The molecule C(CC(=O)O)C(CO)C(=O)O is the 2-hydroxymethyl derivative of glutaric acid. It derives from a glutaric acid. It is a conjugate acid of a 2-hydroxymethylglutarate.
The molecule O1C(C(O)C(O)C(O)C1CO)C2=C(OC3OC(C(O)C(O)C3O)CO)C=C4OC(=CC(=O)C4=C2O)C5=CC=C(OC6OC(C(O)C(O)C6O)CO)C=C5 O1C(C(O)C(O)C(O)C1CO)C2=C(OC3OC(C(O)C(O)C3O)CO)C=C4OC(=CC(=O)C4=C2O)C5=CC=C(OC6OC(C(O)C(O)C6O)CO)C=C5 is Isovitexin 4',7-diglucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OCCCN=C=S OCCCN=C=S is an isothiocyanate that is 1-isothiocyanatopropane substituted by a hydroxy group at position 3. It has the role of Arabidopsis thaliana metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as isothiocyanate  .
The molecule O[C]=[N-] O[C]=[N-] is hydroxidonitridocarbonate(.1-). It is a conjugate acid of nitridooxidocarbonate(.2-) . It is also related to or classified as organic radical anion .
The molecule [O-]C([C@H](CCCC(NC(N)=[NH2+])O)[NH3+])=O [O-]C([C@H](CCCC(NC(N)=[NH2+])O)[NH3+])=O is major microspecies at pH 7.3. Its functional parent is L-homoarginine(1+) .  It is also related to or classified as guanidinium ion  . It is also related to or classified as homoarginine .
The molecule CC/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\C=C\\[C@H](C/C=C\\CCC(=O)O)OO)OO is a docosanoid that is (4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 17S-positions. It has a role as a human xenobiotic metabolite. It is a docosanoid, a hydroperoxy fatty acid, a lipid hydroperoxide and a long-chain fatty acid. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of a (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O)O)O)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O is an amino trisaccharide consisting of beta-D-glucopyranuronic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose and beta-D-glucopyranuronic acid residues joined in sequence by (1->4) glycosidic bonds. It is a glucosamine oligosaccharide, an amino trisaccharide and a member of acetamides.
The molecule OC(CCC1=CC(OC)=C(O)C=C1)C OC(CCC1=CC(OC)=C(O)C=C1)C is 4-(3-hydroxybutyl)-2-methoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule COC1=CC=CC(=C1)NC(=O)N2C[C@H]3[C@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CCCCC5 COC1=CC=CC(=C1)NC(=O)N2C[C@H]3[C@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CCCCC5 is (6R,7R,8S)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C(CCCCCCCCCCCCCC(O)=O)CC/C=C\CCCCC O=C(CCCCCCCCCCCCCC(O)=O)CC/C=C\CCCCC is 15-oxo-18Z-tetracosenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule O1C(C(O)C(C=2C=3OC(C(O)CC3C(O)=CC2O)C4=CC(O)=C(O)C=C4)C=5C1=CC(O)=CC5O)C6=CC=C(O)C=C6 O1C(C(O)C(C=2C=3OC(C(O)CC3C(O)=CC2O)C4=CC(O)=C(O)C=C4)C=5C1=CC(O)=CC5O)C6=CC=C(O)C=C6 is 2-(3,4-dihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol. It is also related to or classified as catechin  . It is also related to or classified as ring assembly .
The molecule C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)N)Cl)Br is an indolyl carbohydrate that is the beta-D-galactosaminide of 3-hydroxy-1H-indole in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is an organochlorine compound, an organobromine compound, an indolyl carbohydrate, a D-galactosaminide and a monosaccharide derivative. It derives from an indoxyl.
The molecule O=C1OC2(C(=O)N1CC(=O)N(CC3=CC=C(F)C=C3)C(C)C(F)(F)F)C4=CC=C(C=C4CC2)NC(=O)NC O=C1OC2(C(=O)N1CC(=O)N(CC3=CC=C(F)C=C3)C(C)C(F)(F)F)C4=CC=C(C=C4CC2)NC(=O)NC is a-485 is a potent and selective catalytic inhibitor of p300/CBP with IC50s of 9.8 nM and 2.6 nM for p300 and CBP histone acetyltransferase (HAT), respectively. It is also related to or classified as organic molecular entity .
The molecule C1CCC=2N(C1)C(=O)N(N2)C3=CC(=C(C=C3Cl)Cl)OCC#C C1CCC=2N(C1)C(=O)N(N2)C3=CC(=C(C=C3Cl)Cl)OCC#C is A triazolopyridine that is 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one which is substituted at position 2 by a 2,4-dichloro-5-(prop-2-yn-1-yloxy)phenyl group. A protoporphyrinogen oxidase inhibitor, it is used as a herbicide to control weeds in fruit crops such as pineapple, citrus, melons, and grapes. Not approved for use within the European Union. It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as triazolopyridine .
The molecule C1=CC=C2C(=C1)C(=CC(=C2N)O)S(=O)(=O)O is a naphthalenesulfonic acid and an aminonaphthalene. It has a role as a mutagen. It derives from a 2-naphthol.
The molecule CC(C)=CCC\C(C)=C\COc1cc(O)c2c(c1)oc1ccc(O)cc1c2=O CC(C)=CCC\C(C)=C\COc1cc(O)c2c(c1)oc1ccc(O)cc1c2=O is A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7, an oxo group at position 9 and a geranyloxy group at position 3. It has been isolated from the stems of Cratoxylum cochinchinense. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , xanthones .
The molecule C1(=CC=C[N+](=C1)C)OC(N(CCCCCCN(C(OC=2C=[N+](C=CC2)C)=O)C)C)=O C1(=CC=C[N+](=C1)C)OC(N(CCCCCCN(C(OC=2C=[N+](C=CC2)C)=O)C)C)=O is A carbamate ester resulting from the formal condensation of both carboxy groups of hexane-1,6-diylbis(methylcarbamic acid) with the hydroxy group of 3-hydroxy-1-methylpyridinium. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of muscarinic agonist . It is also related to or classified as carbamate ester , pyridinium ion .
The molecule CCCNC(=O)NC[C@@H]1[C@H]([C@@H](N1C(=O)C)CO)C2=CC=C(C=C2)C3=CCCCC3 CCCNC(=O)NC[C@@H]1[C@H]([C@@H](N1C(=O)C)CO)C2=CC=C(C=C2)C3=CCCCC3 is 1-[[(2S,3R,4R)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O is A glycosylgalactose comprising two alpha-D-galactose units joined via a (1->3)-linkage. It has the role of epitope . It is also related to or classified as alpha-D-galactosyl-(1->3)-D-galactose  . It is also related to or classified as glycosylgalactose .
The molecule CCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-] is a fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-stearoyltaurine; major species at pH 7.3. It is a conjugate base of a N-stearoyltaurine.
The molecule NC(=[NH2+])NC(O)CC[C@H]([NH3+])C([O-])=O NC(=[NH2+])NC(O)CC[C@H]([NH3+])C([O-])=O is A guanidinium ion resulting from the protonation of both the primary amino and guanidino groups and deprotonation of the carboxy group of 5-hydroxy-L-arginine; Major microspecies at pH 7.3. Its functional parent is L-argininium(1+) . It is a conjugate acid of 5-hydroxy-L-arginine .  It is also related to or classified as guanidinium ion  . It is also related to or classified as alpha-amino-acid cation .
The molecule C[C@@H]1[C@@H]2CC3=C(C=C(O)C=C3)[C@@]1(C)CCN2CC=C C[C@@H]1[C@@H]2CC3=C(C=C(O)C=C3)[C@@]1(C)CCN2CC=C is the (+)-stereoisomer of SKF-10,047. It has the role of sigma-1 receptor agonist . It has the role of neuroprotective agent . It is also related to or classified as SKF-10,047  .
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(=C2)C(O)=CC(=O)C3)C4=CC(O)=C(O)C=C4)COC(=[OH+])/C=C/C5=CC=C(O)C=C5 O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(=C2)C(O)=CC(=O)C3)C4=CC(O)=C(O)C=C4)COC(=[OH+])/C=C/C5=CC=C(O)C=C5 is Cyanidin 3-(6-p-coumaroylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoid  .
The molecule [H][C@]12CS[C@@H](CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C3N=CN=C4N)[C@@]1([H])NC(=O)N2 [H][C@]12CS[C@@H](CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C3N=CN=C4N)[C@@]1([H])NC(=O)N2 is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of biotin. Its functional parent is biotin . It is a conjugate acid of biotinyl-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule C1C/C(=N\\O)/C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO is a member of the class of pyrazoles that is 1-(2-hydroxyethyl)pyrazole carrying additional 4-pyridyl and 1-(hydroxyimino)indan-5-yl substituents at positions 3 and 4 respectively. It has a role as a B-Raf inhibitor and an antineoplastic agent. It is a member of pyrazoles, a member of pyridines, a member of indanes, a ketoxime and a primary alcohol.
The molecule O=[S+] O=[S+] is oxidosulfur(.1+). It is also related to or classified as inorganic radical cation , sulfur oxide .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(O)C(O)=C3C(OC(=C(O)C3=O)C4=CC(O)=C(OC)C=C4)=C2)COC(=O)/C=C/C5=CC(O)=C(O)C=C5 O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(O)C(O)=C3C(OC(=C(O)C3=O)C4=CC(O)=C(OC)C=C4)=C2)COC(=O)/C=C/C5=CC(O)=C(O)C=C5 is Quercetagetin 4'-methyl ether 7-(6-(E)-caffeylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12CC[C@@H](C)C1=CC(C)(C)C[C@H]1C[C@@]21C [H][C@@]12CC[C@@H](C)C1=CC(C)(C)C[C@H]1C[C@@]21C is african-1-ene. It has the role of animal metabolite . It has the role of marine metabolite . It has the role of plant metabolite . It has the role of fungal metabolite . It is also related to or classified as sesquiterpene  . It is also related to or classified as carbotricyclic compound .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O)[NH3+])[NH3+])CO)O)O is an organic cation obtained by protonation of the two free amino groups of 2'-N-acetylparomamine; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 2'-N-acetylparomamine.
The molecule [C-] [C-] is carbide(1-).  It is also related to or classified as monoatomic monoanion  . It is also related to or classified as monoatomic carbon .
The molecule C1=CC2=C(C=CC=C2N)C(=C1)N is a naphthalenediamine compound having amino substituents in the 1- and 5-positions. It has a role as a carcinogenic agent.
The molecule [S+] [S+] is sulfur(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as monoatomic sulfur .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4 is N-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-fluorobenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][N+]([H])[H] [H][N+]([H])[H] is trihydridonitrogen(.1+). It is also related to or classified as nitrogen hydride , inorganic radical cation .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)OP(=O)(O)OCCCN)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@@H](CO)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC is a lipid A derivative in which an alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->3)-L-alpha-D-Hep-(1->3)-[beta-D-Glc-(1->4)]-L-alpha-D-Hep6PEtn branched decasaccharide is linked (1->5) to a lipid A component containing four C14 and two C16 fatty acyl chains. Reported as a proposed lipooligosaccharide outer core structure of Campylobacter jejuni strains (CO016 and GC105) isolated from patients with Guillain-Barre syndrome (GBS) who had anti-GM1b antibodies, but neither anti-GM1 nor anti-GD1a antibodies (PMID:25867522).
The molecule CN(C)CCc1c[nH]c2cccc(OP(O)(O)=O)c12 CN(C)CCc1c[nH]c2cccc(OP(O)(O)=O)c12 is A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional phosphoryloxy substituent at position 4. The major hallucinogenic alkaloid isolated from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms"). It has the role of hallucinogen . It has the role of serotonergic agonist . It has the role of prodrug . It has the role of fungal metabolite . Its functional parent is psilocin . It is a conjugate acid of psilocybin(1-) . It is also related to or classified as organic phosphate , tryptamine alkaloid , tertiary amino compound .
The molecule CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@]([C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)O)(COC(=O)C)O)OC(=O)C)OC(=O)C)C)OC(=O)C4=CC=CC=C4)O is a taxane diterpenoid isolated from Taxus sumatrana and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a taxane diterpenoid, a carbotricyclic compound, an acetate ester, a benzoate ester, a secondary alcohol and a tertiary alcohol.
The molecule O1C2(O)[C@]3([C@]4([C@@]([C@]5(C(=CC4OC3=O)C[C@](CC5)(C)C=C)[H])(CC2)C1)[H])C O1C2(O)[C@]3([C@]4([C@@]([C@]5(C(=CC4OC3=O)C[C@](CC5)(C)C=C)[H])(CC2)C1)[H])C is Momilactone B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(C)(C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C)O CC(C)(C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C)O is 4-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [O-]C(=O)CCl [O-]C(=O)CCl is A haloacetate(1-) resulting from the deprotonation of the carboxy group of chloroacetic acid. Its functional parent is acetate . It is also related to or classified as haloacetate(1-)  .
The molecule N[C@@H](Cc1c[n-]cn1)C([O-])=O N[C@@H](Cc1c[n-]cn1)C([O-])=O is the L-enantiomer of histidinate(2-). It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as histidinate(2-)  .
The molecule OP(=O)(OC=1C2=C(C=CC1)NC=C2CCNC)O OP(=O)(OC=1C2=C(C=CC1)NC=C2CCNC)O is A tryptamine alkaloid that is N-methyltryptamine carrying an additional phosphoryloxy substituent at position 4. It has the role of hallucinogen . It has the role of fungal metabolite . Its functional parent is tryptamine . It is a conjugate acid of baeocystin(1-) . It is also related to or classified as organic phosphate , tryptamine alkaloid , secondary amino compound .
The molecule CCCC(C)C1(C(=O)NC(=S)NC1=O)CC is a barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. It has a role as an anticonvulsant, a sedative, an environmental contaminant, a xenobiotic, a drug allergen and an intravenous anaesthetic. It derives from a 2-thiobarbituric acid. It is a conjugate acid of a thiopental(1-).
The molecule CCC1=C(NC(=C1C)CC2C(=C(C(=O)N2)C)C=C)CC3=C(C4=C(N3)/C(=C\\5/[C@H]([C@@H]([C@H](N5)C(=O)[O-])C)CCC(=O)[O-])/CC4=O)C is a dicarboxylic acid dianion that results from the removal of a proton from each of the carboxylic acid groups of dinoflagellate luciferin. It is a conjugate base of a dinoflagellate luciferin(1-).
The molecule CC(C)(C)CCN[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC is a dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage. It has a role as an environmental contaminant, a xenobiotic and a sweetening agent.
The molecule O=C(NC1=C(CC)C=CC=C1CC)C O=C(NC1=C(CC)C=CC=C1CC)C is N-Acetyl-2,6-diethylaniline. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule OP(=O)(OC=1C2=C(C=CC1)NC=C2CCN)O OP(=O)(OC=1C2=C(C=CC1)NC=C2CCN)O is A tryptamine alkaloid that is tryptamine carrying an additional phosphoryloxy substituent at position 4. It has the role of hallucinogen . It has the role of fungal metabolite . Its functional parent is tryptamine . It is a conjugate acid of norbaeocystin(1-) . It is also related to or classified as organic phosphate , tryptamine alkaloid , primary amino compound .
The molecule CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C[C@@H]([C@@H]6O)OC)CO)O5)C)CO is a withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 19 and 27, a methoxy group at position 3 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia. It has a role as a metabolite and a plant metabolite. It is a delta-lactone, a 27-hydroxy steroid, a 4-hydroxy steroid, a 19-hydroxy steroid, an ergostanoid, a primary alcohol, a secondary alcohol, a withanolide and an epoxy steroid.
The molecule FC1=C(C2CCC(NC(=O)N3CCC(N4C5=C(NC4=O)N=CC=C5)CC3)C(=O)N(C2)CC(F)(F)F)C=CC=C1F FC1=C(C2CCC(NC(=O)N3CCC(N4C5=C(NC4=O)N=CC=C5)CC3)C(=O)N(C2)CC(F)(F)F)C=CC=C1F is N-[6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 is A 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of econazole. It is also related to or classified as 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole  .
The molecule C([C@H](C1CS1)O)C#N C([C@H](C1CS1)O)C#N is (3R)-3-hydroxy-3-(thiiran-2-yl)propanenitrile. It is also related to or classified as epithionitrile  . It is also related to or classified as thiirane  .
The molecule O(C1C(O)C(O)C(OC1CO)OC=2C=C3OC(=C(OC4OC(C(O)C(O)C4OC5OC(C(O)C(O)C5O)CO)CO)C(=O)C3=C(O)C2)C6=CC=C(O)C=C6)C7OC(C(O)C(O)C7O)CO O(C1C(O)C(O)C(OC1CO)OC=2C=C3OC(=C(OC4OC(C(O)C(O)C4OC5OC(C(O)C(O)C5O)CO)CO)C(=O)C3=C(O)C2)C6=CC=C(O)C=C6)C7OC(C(O)C(O)C7O)CO is Kaempferol 7-cellobioside 3-sophoroside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N is a dipeptide formed from L-valine and L-asparagine residues. It has a role as a metabolite. It derives from a L-valine and a L-asparagine.
The molecule N[C@H](CC1=CC=C(C=C1)N=[N+]=[N-])C(O)=O N[C@H](CC1=CC=C(C=C1)N=[N+]=[N-])C(O)=O is A 4-azidophenylalanine that has D-configuration. It is also related to or classified as 4-azidophenylalanine  . It is also related to or classified as D-phenylalanine derivative .
The molecule C=CC1CNC(=S)O1 C=CC1CNC(=S)O1 is A member of the class of oxazolidines that is 1,3-oxazolidine substituted by sulfanylidene and ethenyl groups at positions 2 and 5, respectively. It is also related to or classified as oxazolidines , olefinic compound .
The molecule C(=C(/C=C(/C(=O)[O-])\\[O-])\\C(=O)[O-])\\C(=O)O is tricarboxylate anion of 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid; major species at pH 7.3. It is a conjugate base of a 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid.
The molecule Cl.Cl.[H][C@@]1(NC(=O)Cc2csc(N)n2)C(=O)N2C(C(=O)OC(C)OC(=O)OC3CCCCC3)=C(CSc3nnnn3CCN(C)C)CS[C@]12[H] Cl.Cl.[H][C@@]1(NC(=O)Cc2csc(N)n2)C(=O)N2C(C(=O)OC(C)OC(=O)OC3CCCCC3)=C(CSc3nnnn3CCN(C)C)CS[C@]12[H] is the dihydrochloride salt of cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester. It is used as a prodrug for cefotiam. It has the role of antibacterial drug . It has the role of prodrug . Its functional parent is cefotiam . It is also related to or classified as hydrochloride .
The molecule CC1=CC(=C(C=C1C2=C(C(=CC(=C2)OC)O)C(=O)O)O)O is a carboxybiphenyl that is [biphenyl]-2-carboxylic acid which is substituted by a hydroxy group at positions 3, 4' and 5', methoxy group at position 5 and a methyl group at position 2'. It is a a metabolite isolated from Alternaria and several other fungal species. It has a role as an antifungal agent and a fungal metabolite. It is a polyphenol, a carboxybiphenyl, an aromatic ether, a member of hydroxybiphenyls and a member of catechols.
The molecule CCC(=O)\C=C/C CCC(=O)\C=C/C is A 4-hexen-3-one in which the double bond adopts a cis-configuration. It is also related to or classified as 4-hexen-3-one  .
The molecule CCC(=O)N1C[C@@H]2[C@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N CCC(=O)N1C[C@@H]2[C@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N is 4-[4-[(6S,7R,8S)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule O=C(NCC(O)=NCC(F)(F)F)C=1C=CC(=CC1C)C2=NOC(C=3C=C(Cl)C=C(Cl)C3)(C2)C(F)(F)F O=C(NCC(O)=NCC(F)(F)F)C=1C=CC(=CC1C)C2=NOC(C=3C=C(Cl)C=C(Cl)C3)(C2)C(F)(F)F is fluralaner. It has the role of insecticide . It has the role of GABA-gated chloride channel antagonist . It is also related to or classified as organic molecular entity .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)NC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC is a lipid A derivative that consists of a branched dodecasaccharide made up from four galactose, five glucose, one N-acetylglucosamine and two Kdo (one at the reducing end) units connected to lipid A via an alpha-(2->6)-linkage. It is a member of lipid As and a dodecanoate ester.
The molecule O=C1NC=2C(N(C3CC3)C=4N=CC=CC41)=NC=CC2C(O)=O O=C1NC=2C(N(C3CC3)C=4N=CC=CC41)=NC=CC2C(O)=O is 4-Carboxynevirapine. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule C[As]([O-])[O-] is an arsenic oxoanion obtained deprotonation of both arsenite OH groups of methylarsonous acid. It derives from an arsonite(2-). It is a conjugate base of a methylarsonous acid.