anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C([O-])[C@H](NC(=O)C)CCC(=O)[O-] O=C([O-])[C@H](NC(=O)C)CCC(=O)[O-] is an N-acyl-D-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-D-glutamic acid. Major microspecies at pH 7.3. Its functional parent is D-glutamate(1-) . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as N-acetyl-D-amino acid anion  .
The molecule CC(C)C1=C(C=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)O)O is a tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is a cyclic terpene ketone, a tricyclic diterpenoid and a member of phenols.
The molecule [H]S([H])([H])[H] [H]S([H])([H])[H] is tetrahydridosulfur. It is also related to or classified as sulfur hydride , mononuclear parent hydride .
The molecule O1C(/C(/[C@H]2[C@@H]1C3=C(C2)C=CC=C3)=C/O)=O O1C(/C(/[C@H]2[C@@H]1C3=C(C2)C=CC=C3)=C/O)=O is (-)-2'-epi-GR24 ABC-rings.  It is also related to or classified as enol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as indenofuran .
The molecule CC(CC1=CC=CC=C1)N is a primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.
The molecule [H]C12CCC3([H])C4([H])CCC(C(=O)C)C4(C)CC(O)C3([H])C2(C)CCC(O)C1 [H]C12CCC3([H])C4([H])CCC(C(=O)C)C4(C)CC(O)C3([H])C2(C)CCC(O)C1 is A C21-steroid that is 5alpha-pregnane substituted by an alpha-hydroxy group at position 3, a beta-hydroxy group at position 11 and an oxo group at position 20. It is a metabolite of progesterone. It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as 3alpha-hydroxy steroid  .  It is also related to or classified as C21-steroid  . It is also related to or classified as 20-oxo steroid .
The molecule O1C(/C(/[C@H]2[C@@H]1C3=C(C2)C=CC=C3)=C/O[C@@H]4OC(C(=C4)C)=O)=O O1C(/C(/[C@H]2[C@@H]1C3=C(C2)C=CC=C3)=C/O[C@@H]4OC(C(=C4)C)=O)=O is (-)-2'-epi-GR24. It is also related to or classified as (3E)-3-{[(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy]methylidene}-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one  . It is also related to or classified as indenofuran , strigolactone .
The molecule C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C is a cholestanoid that is cholestanol substituted by a hydroxy group at position 24S. It is a 3beta-hydroxy steroid, a cholestanoid and a 24-hydroxy steroid. It derives from a (5alpha)-cholestan-3beta-ol.
The molecule O=[N+]([O-])/C(=C(/C=C/C=C/C=C(/[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)\C)\C)/C O=[N+]([O-])/C(=C(/C=C/C=C/C=C(/[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)\C)\C)/C is Lajollamycin C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@@]12OC(=O)\C(=C\O)[C@]1([H])[C@@H](O)C1=C2C(C)(C)CCC1 [H][C@@]12OC(=O)\C(=C\O)[C@]1([H])[C@@H](O)C1=C2C(C)(C)CCC1 is an indenofuran that is (3aS,8bR)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan substituted by oxo, hydroxymethylidene, hydroxy, methyl, and methyl groups at positions 2, 3, 4, 8, and 8, respectively.  It is also related to or classified as enol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as indenofuran .
The molecule [H]C(CCCCCCCCC)=CC(O)=O [H]C(CCCCCCCCC)=CC(O)=O is A dodecenoic acid having its double bond at position 2. It is also related to or classified as dodecenoic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule CC(=CCC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)OC)O[C@@]4(CC[C@H](C([C@H]4C3)(C)C)O)C)O)C is a stilbenoid isolated from Macaranga alnifolia and has been shown to exhibit cytotoxic activity. It has a role as a metabolite. It is a cyclic ether, an organic heterotricyclic compound, a member of resorcinols and a stilbenoid.
The molecule C(CCCCCCCC)CCCCCCCC(C(O)=O)=O C(CCCCCCCC)CCCCCCCC(C(O)=O)=O is A 2-oxo monocarboxylic acid that is octadecanoic acid (stearic acid) in which the hydrogens at position 2 have been replaced by an oxo group. Its functional parent is octadecanoic acid . It is a conjugate acid of 2-oxooctadecanoate . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule OC(=O)c1ccc(Cl)cc1Cl OC(=O)c1ccc(Cl)cc1Cl is A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups. It has the role of bacterial metabolite . Its functional parent is benzoic acid . It is a conjugate acid of 2,4-dichlorobenzoate .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as chlorobenzoic acid .
The molecule C1=CC=C2C(=C1)C3=CC=CC=C3O2 is a mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. It has a role as a xenobiotic. It is a member of dibenzofurans, a polycyclic heteroarene and a mancude organic heterotricyclic parent.
The molecule C1[C@]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3[NH3+])O)O)C(O)C)[NH3+])[NH3+])O)[NH2+]C)(C)O C1[C@]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3[NH3+])O)O)C(O)C)[NH3+])[NH3+])O)[NH2+]C)(C)O is major microspecies at pH 7.3. Its functional parent is gentamicin X2 cation (4+) . It is a conjugate acid of geneticin . It is also related to or classified as 2-deoxystreptamine cation  .
The molecule CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(C[C@H](CC3(C)C)O)C)O is a meroterpenoid that is ferruginol which has been substituted by an alpha-hydroxy group at position 6. It has a role as a plant metabolite. It is an abietane diterpenoid, a carbotricyclic compound and a meroterpenoid. It derives from a ferruginol.
The molecule COC1=CC=CC=C1CN2[C@@H]([C@H](C23CN(C3)C(=O)C4=NC=CN=C4)C5=CC=CC=C5)CO COC1=CC=CC=C1CN2[C@@H]([C@H](C23CN(C3)C(=O)C4=NC=CN=C4)C5=CC=CC=C5)CO is [(2S,3R)-2-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(2-pyrazinyl)methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1[C@]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3[NH3+])O)O)CO)[NH3+])[NH3+])O)[NH2+]C)(C)O C1[C@]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3[NH3+])O)O)CO)[NH3+])[NH3+])O)[NH2+]C)(C)O is major microspecies at pH 7.3. It is a conjugate acid of Gentamicin X2 . It is also related to or classified as 2-deoxystreptamine cation  .
The molecule C(CC(C(=O)[O-])N)CC(C(=O)[O-])N is a dicarboxylic acid dianion that is the conjugate base of 2,6-diaminopimelic acid. It has a role as an Escherichia coli metabolite. It derives from a pimelate(2-). It is a conjugate base of a 2,6-diaminopimelic acid.
The molecule [O-][N+](=O)O[Pb]O[N+]([O-])=O [O-][N+](=O)O[Pb]O[N+]([O-])=O is lead nitrate. It is also related to or classified as lead coordination entity , inorganic nitrate salt .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[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)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4CC4 is N-[(3R,9S,10R)-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]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12OC(=O)\C(=C\O[C@@H]3OC(=O)C(C)=C3)[C@]1([H])[C@@H](O)C1=C2C(C)(C)CCC1 [H][C@@]12OC(=O)\C(=C\O[C@@H]3OC(=O)C(C)=C3)[C@]1([H])[C@@H](O)C1=C2C(C)(C)CCC1 is orobanchol. It has the role of plant metabolite . Its functional parent is orobanchol ABC-rings .  It is also related to or classified as secondary alcohol  . It is also related to or classified as indenofuran , strigolactone .
The molecule C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N)O is a dipeptide composed of L-phenylalanine and L-threonine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-phenylalanine and a L-threonine.
The molecule O=[Bi](c1ccccc1)(c1ccccc1)c1ccccc1 O=[Bi](c1ccccc1)(c1ccccc1)c1ccccc1 is triphenylbismuthane oxide. It is also related to or classified as acyclic heterone , organobismuth compound .
The molecule COC1=CC=CC=C1NC(=O)N2CCCCN3[C@H](C2)[C@H]([C@@H]3CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N COC1=CC=CC=C1NC(=O)N2CCCCN3[C@H](C2)[C@H]([C@@H]3CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N is (8S,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule CC1=CC(O)OC1=O CC1=CC(O)OC1=O is A butenolide that is furan-2(5H)-one substituted by a methyl group at position 3 and a hydroxy group at position 4. It has the role of anti-HIV agent . It has the role of plant metabolite . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as butenolide  .
The molecule C1C=CC2=CC=CC=C21 is an ortho-fused bicyclic arene comprising of benzene and cyclopentene rings. It is an ortho-fused bicyclic arene and an indene.
The molecule COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1 is A dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5, 3' and 4' respectively. It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as dimethoxyflavone , trihydroxyflavone .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N is an acyl-CoA(4-) that is the tetraanion of anthraniloyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as acyl-CoA(4-)  .
The molecule C(CCN)CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O is an alpha-D-glucoside that is the 5-aminopentyl glycoside of a tetrasaccharide consisting of alpha-D-galactosyl, beta-D-glucuronosyl, beta-D-glucosyl and alpha-D-glucosyl residues linked sequentially (1->4). It is an alpha-D-glucoside and a tetrasaccharide derivative.
The molecule C=1C(=C(C(=CC1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N)C(C[C@H](C(=O)O)N)=O C=1C(=C(C(=CC1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N)C(C[C@H](C(=O)O)N)=O is primary molecular ultraviolet filter of the human eye lens. It is also related to or classified as organic molecular entity .
The molecule C1=CC(=C(C=C1/C=C/C2=CC(=O)C3(O2)C(=CC4=CC(=C(C=C34)O)O)C5=CC6=C(C7=CC(=C(C=C7C(=O)O6)O)O)C(=O)O5)O)O is an organic heterotricyclic compound isolated from the fruiting bodies of the fungus Phellinus igniarius. It has a role as a fungal metabolite. It is an organic heterotricyclic compound, a polyphenol, an oxaspiro compound and a delta-lactone.
The molecule C[C@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 C[C@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is pentaanion of (R)-methylmalonyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It has the role of human metabolite . It is also related to or classified as acyl-CoA oxoanion .
The molecule OC1C(Oc2ccccc2C1=O)c1ccccc1 OC1C(Oc2ccccc2C1=O)c1ccccc1 is the simplest member of the class of dihydroflavonols that is flavanone with a  hydroxy substituent at the 3-position. It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as dihydroflavonols  .
The molecule [H]C(CC(O)=O)=CCCCCCCCC [H]C(CC(O)=O)=CCCCCCCCC is A dodecenoic acid having its double bond at position 3. It is also related to or classified as dodecenoic acid .
The molecule COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC=C(C=C5)F COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC=C(C=C5)F is (6R,7R,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O is the pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid. It has a role as an antineoplastic agent and a metabolite. It is a conjugate acid of a (6S)-5-formyltetrahydrofolate(2-).
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\C=C\c1ccc2OCOc2c1 CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\C=C\c1ccc2OCOc2c1 is an acyl-CoA(4-) species arising from deprotonation of the phosphate and diphosphate OH groups of (E,E)-piperonyl-CoA; major species at pH 7.3.  It is also related to or classified as acyl-CoA(4-)  . It is also related to or classified as benzodioxoles .
The molecule OCCCCCCCCCCCCCCCC=O OCCCCCCCCCCCCCCCC=O is hydroxyhexadecanal.  It is also related to or classified as long-chain fatty aldehyde  . It is also related to or classified as long-chain primary fatty alcohol  . It is also related to or classified as hydroxy fatty aldehyde .
The molecule CCCCCCCCCCCCCCCC(C(C(C(CO)N)O)O)O is a tetrol that is 2-aminoicosane with the four hydroxy substituents located at position 1, 3, 4 and 5. It has a role as a plant metabolite. It is an amino alcohol and a tetrol. It derives from a hydride of an icosane.
The molecule OCCCCCCCCCCCCCCCCO OCCCCCCCCCCCCCCCCO is A diol that is hexadecane substituted by hydroxy groups at positions 1 and 16. It has the role of plant metabolite . It is also related to or classified as diol  . It is also related to or classified as long-chain primary fatty alcohol  .
The molecule [Tl]#[Tl] [Tl]#[Tl] is an elemental thallium that consists of two thallium atoms joined via a triple bond. It is also related to or classified as elemental thallium .
The molecule C1[C@@H]2CN(C=[N+]2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O is the 5,10-methenyl derivative of tetrahydrofolic acid arising from enzymatic cyclisation of 5-formyltetrahydrofolic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It derives from a (6R)-5,10-methylenetetrahydrofolic acid. It is a conjugate acid of a (6R)-5,10-methenyltetrahydrofolate.
The molecule O=C1C([O-])=C(C(=O)C(=C1C2=CC=C(C=C2)O)O)C3=CC=CC=C3 O=C1C([O-])=C(C(=O)C(=C1C2=CC=C(C=C2)O)O)C3=CC=CC=C3 is major microspecies at pH 7.3. It is also related to or classified as benzoquinones , p-quinones .
The molecule NCCCN[13CH2][13CH2][13CH2][13CH2]N NCCCN[13CH2][13CH2][13CH2][13CH2]N is A spermidine in which four carbon atoms have been replaced by the (13)C isotope.  It is also related to or classified as spermidine  . It is also related to or classified as (13)C-modified compound .
The molecule OP(=S)([O-])[O-] is a phosphorus oxoanion obtained by selective deprotonation of two of the three phosphate OH groups of thiophosphoric acid. It is a phosphorus oxoanion and a divalent inorganic anion. It is a conjugate base of a phosphorothioic O,O,O-acid.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CC3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CC3 is N-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c1ccccc1.COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC [O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c1ccccc1.COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium besylate. Commercial preparations of atracurium are mixtures of 10 stereoisomers, of which cisatracurium generally constitutes about 15%. Cisatracurium besylate is about 3 times more potent than the mixture of atracurium isomers as a neuromuscular blocking agent, and is used as a muscle relaxant for endotracheal intubation, to aid controlled ventilation, and in general anaesthesia. It has the role of nicotinic antagonist . It has the role of muscle relaxant . It is also related to or classified as atracurium besylate  . It is also related to or classified as quaternary ammonium salt , organosulfonate salt .
The molecule C=1C(=CC(=C(C1)NC(CC([O-])=O)=O)O)OC C=1C(=CC(=C(C1)NC(CC([O-])=O)=O)O)OC is major microspecies at pH 7.3. Its functional parent is malonamate . It is also related to or classified as monocarboxylic acid anion  .
The molecule C=C1C[C@@H]1C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N is a 5-L-glutamyl amino acid resulting from the formal condensation of the amino group of (2S,4R)-hypoglycin A with the gamma-carboxy group of L-glutamic acid. It has a role as a phytotoxin and a plant metabolite. It is a 5-L-glutamyl amino acid, a member of cyclopropanes and an olefinic compound. It derives from a (2S,4R)-hypoglycin A.
The molecule C1(C2=CC=CC=C2)=CC=C(C=C1)NO C1(C2=CC=CC=C2)=CC=C(C=C1)NO is A N-substituted amine that is 4-aminobiphenyl substituted by a hydroxy group at the nitrogen atom. It has the role of carcinogenic agent . It has the role of human xenobiotic metabolite . Its functional parent is biphenyl-4-amine . It is also related to or classified as aminobiphenyl , N-substituted amine .
The molecule [H]C12CC(=O)CCC1(C)C3([H])C(O)CC4(C)C(C(=O)C)CCC4([H])C3([H])CC2 [H]C12CC(=O)CCC1(C)C3([H])C(O)CC4(C)C(C(=O)C)CCC4([H])C3([H])CC2 is A C21-steroid hormone that is 5alpha-pregnane substituted by oxo groups at positions 3 and 20 and a beta-hydroxy group at position 11. It is a metabolite of progesterone. It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as 11beta-hydroxy steroid  .  It is also related to or classified as C21-steroid  . It is also related to or classified as 20-oxo steroid .
The molecule O=C(OC1C(OC2OC(C(O)C(C2O)N)CO)C(O)C(OC3OCC(OC4OC(C(O)C(C4O)O)C(O)CO)C(C3NC)O)C(C1O)OC(=O)N)N O=C(OC1C(OC2OC(C(O)C(C2O)N)CO)C(O)C(OC3OCC(OC4OC(C(O)C(C4O)O)C(O)CO)C(C3NC)O)C(C1O)OC(=O)N)N is Boholmycin. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule COC1=CC(O)=C(N)C=C1 COC1=CC(O)=C(N)C=C1 is A phenol substituted by amino and methoxy groups at positions 2 and 5, respectively.  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , substituted aniline .
The molecule CCCCCCCCCCCCCCCCCC(CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)O is an O-acylcarnitine having 3-hydroxyeicosanoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, an ammonium betaine and a carboxylic ester. It derives from a carnitine.
The molecule [La+3] [La+3] is lanthanum(3+). It has the role of cofactor .  It is also related to or classified as monoatomic trication  . It is also related to or classified as lanthanum cation , lanthanum molecular entity .
The molecule CCCCCCCCCCCC/C=C/[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C(\\C)/CCCCCCCCCCC)O)O is a glucosylceramide found in Penicillium commune. It has a role as a Penicillium metabolite. It is a beta-D-glucoside and a beta-D-glucosylceramide.
The molecule COC1=CC=C2NC(=O)OC2=C1 COC1=CC=C2NC(=O)OC2=C1 is A 2-benzoxazolinone that is substituted by a methoxy group at position 6. It has the role of antibacterial agent . It has the role of anticonvulsant . It has the role of antifungal agent . It has the role of muscle relaxant . It has the role of plant metabolite . Its functional parent is 2-benzoxazolinone . It is also related to or classified as aromatic ether , benzoxazole .
The molecule OCCN(CCO)C(CO)(CO)CO OCCN(CCO)C(CO)(CO)CO is A buffer substance useful for calibration of glass electrodes and for the preparation of the biochemical and biological buffer solutions; pKa = 6.46 at 25 degreeC. It has the role of buffer . Its functional parent is tris . It is also related to or classified as pentol  .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)[O-])O is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-hexadecanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is an organic molecular entity and a N-acyl-(2S)-hydroxyglycinate. It is a conjugate base of a N-hexadecanoyl-(2S)-hydroxyglycine.
The molecule [Cs-] [Cs-] is caeside. It is also related to or classified as monoatomic monoanion  . It is also related to or classified as caesium molecular entity .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccco1 CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccco1 is an acyl-CoA(4-) that is the tetraanion of 2-furoyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as acyl-CoA(4-)  .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F is N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1C=CC(=C(C1)NC(CC([O-])=O)=O)O C=1C=CC(=C(C1)NC(CC([O-])=O)=O)O is major microspecies at pH 7.3. Its functional parent is malonamate . It is also related to or classified as monocarboxylic acid anion  .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O is a polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (8Z,11Z,14Z)-icosatrienoyl-CoA. It is a polyunsaturated fatty acyl-CoA(4-), an (11Z)-Delta(11)-fatty acyl-CoA(4-) and a 3-substituted propionyl-CoA(4-). It is a conjugate base of an all-cis-icosa-8,11,14-trienoyl-CoA.
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1Cl CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1Cl is an acyl-CoA(4-) that is the tetraanion of 2,4-dichlorobenzoyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as acyl-CoA(4-)  .
The molecule OCC(CO)(CO)NCCCNC(CO)(CO)CO OCC(CO)(CO)NCCCNC(CO)(CO)CO is A water-soluble buffer substance used for the preparation of the biochemical and biological buffer solutions; pKa = 6.8 at 20 degreeC. It has the role of buffer . Its functional parent is tris . It is also related to or classified as hexol  .