anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[N+](C)(C)C[C@@H](O)CC(O)=O C[N+](C)(C)C[C@@H](O)CC(O)=O is A carnitinium that is the conjugate acid of (S)-carnitine. It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of (S)-carnitine . It is also related to or classified as carnitinium  .
The molecule COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F is a member of the class of mebendazole in which the benzoyl group is replaced by a p-fluorobenzoyl group. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. It has a role as an antinematodal drug and a teratogenic agent. It is a member of benzimidazoles, a carbamate ester, an organofluorine compound and an aromatic ketone.
The molecule COc1cc2CCN(C)[C@@H](Cc3ccc(O)cc3)c2cc1O COc1cc2CCN(C)[C@@H](Cc3ccc(O)cc3)c2cc1O is the (S)-enantiomer of N-methylcoclaurine. It has the role of mouse metabolite . It is also related to or classified as N-methylcoclaurine .
The molecule CC1=C2C[C@@H](CC[C@]2(CCC1)C)C(C)(C)O is a eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-4 and C-5. It has a role as a volatile oil component.
The molecule N=1C=NC(=C2C=C(OC)C(OC)=CC12)N3CCN(CC=4C=CC=CC4)CC3 N=1C=NC(=C2C=C(OC)C(OC)=CC12)N3CCN(CC=4C=CC=CC4)CC3 is 4-(4-benzylpiperazin-1-yl)-6,7-dimethoxyquinazoline. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule O([C@@H]1[C@@H](NC(=O)C)C(O[C@@H]([C@@H]1O)CO)O)C2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@@H](NC(=O)C)C(O[C@@H]([C@@H]1O)CO)O)C2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is an amino disaccharide that is 2-acetamido-2-deoxy-D-galactopyranose in which the hydroxy group at position 3 has been converted to the corresponding D-galactopyranoside. The stereochemistry at the anomeric position in each of the galactopyranose rings is not stated. It is also related to or classified as partially-defined glycan , acetamides , amino disaccharide , galactosamine oligosaccharide .
The molecule O=C(O)/C=C\C=C\CC(O)/C=C/C=C\CC(O)CC(O)/C=C/C=C/CCCC(O)C O=C(O)/C=C\C=C\CC(O)/C=C/C=C\CC(O)CC(O)/C=C/C=C/CCCC(O)C is Isomacrolactinic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(CO)O is a glycol that is tetracosane bearing two hydroxy substituents located at positions 1 and 2. It derives from a hydride of a tetracosane.
The molecule CC1=NNC(=O)NC1=O is a nucleobase analogue that is thymine in which the CH group at position 6 is replaced by nitrogen. It has a role as a Mycoplasma genitalium metabolite and an EC 2.6.1.40 [(R)-3-amino-2-methylpropionate--pyruvate transaminase] inhibitor. It is a cyclic ketone, a member of 1,2,4-triazines and a nucleobase analogue.
The molecule [H]C12C(=CCC(C=C)(C)C1)C3(C)CCCC(C(=O)O)(C)C3([H])CC2 [H]C12C(=CCC(C=C)(C)C1)C3(C)CCCC(C(=O)O)(C)C3([H])CC2 is (-)-acanthoic acid. It has the role of anti-inflammatory agent . It is also related to or classified as organic molecular entity .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CN(C)CC5=CC(=C(C=C5)Cl)Cl C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CN(C)CC5=CC(=C(C=C5)Cl)Cl is 1-(1,3-benzodioxol-5-yl)-3-[(3S,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]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]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCC/C=C\\CCCCCCCC(=O)OC(CO)CO is a monoacylglycerol 16:1 in which the acyl group specified at position 2 is 9Z)-hexadecenoyl. It derives from a palmitoleic acid.
The molecule Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SS[C@@H](C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)N(C4=O)C Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SS[C@@H](C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)N(C4=O)C is Adametizine A. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1=C(C=C(C(=C1O)[O-])O)C2=C(C=C3C(=CC(=O)C=C3O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)O)O is an organic anion obtained by deprotonation of the malonyl carboxy as well as the 5- and 7-hydroxy groups of delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside(1-).
The molecule O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](OC5OC(C(O)C(C5O)OC6OCC(O)C(C6O)O)C)[C@H](C3C=C2C(=O)C7=C1C=C(OC8OCC(O)C(C8O)O)C=C7O)O)C(=O)NCC(=O)O O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](OC5OC(C(O)C(C5O)OC6OCC(O)C(C6O)O)C)[C@H](C3C=C2C(=O)C7=C1C=C(OC8OCC(O)C(C8O)O)C=C7O)O)C(=O)NCC(=O)O is Pradimicin-T1. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule [H][C@@]12Cc3ccc4OCOc4c3CN1CCc1cc(OC)c(O)cc21 [H][C@@]12Cc3ccc4OCOc4c3CN1CCc1cc(OC)c(O)cc21 is (S)-cheilanthifoline. It is also related to or classified as berberine alkaloid , organic heteropentacyclic compound .
The molecule CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O is A pentapeptide composed of L-glutamic acid, L-arginine, glycine, L-methionine, and L-threonine joined in sequence by peptide linkages. It has the role of bacterial metabolite . Its functional parent is glycine . Its functional parent is L-glutamic acid . Its functional parent is L-arginine . Its functional parent is L-methionine . Its functional parent is L-threonine . It is also related to or classified as pentapeptide .
The molecule C1COC(=O)N1 is an oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2. It has a role as a metabolite. It is an oxazolidinone and a carbamate ester.
The molecule Nc1c(ncn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC(O)=O)C(O)=O Nc1c(ncn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC(O)=O)C(O)=O is A 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid with the amino group of L-aspartic acid. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . Its functional parent is succinic acid . It is a conjugate acid of SAICAR(4-) . It is also related to or classified as 1-(phosphoribosyl)imidazolecarboxamide .
The molecule C([C@H](C(=O)[O-])OP(=O)([O-])[O-])O is an organophosphate oxoanion arising from deprotonation of the phosphate OH and carboxy groups of 2-phospho-D-glyceric acid; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an organophosphate oxoanion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a 2-phospho-D-glyceric acid.
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F is 1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[N+](C)(C)C[C@H](O)CC([O-])=O C[N+](C)(C)C[C@H](O)CC([O-])=O is the (R)-enantiomer of carnitine. It has the role of water-soluble vitamin (role) . It has the role of antilipemic drug . It has the role of nutraceutical . It has the role of nootropic agent . It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as carnitine  .
The molecule CCC(=O)N1C[C@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CCC(C)C CCC(=O)N1C[C@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CCC(C)C is (6R,7S,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C(C(=O)O)N is the simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. It has a role as a nutraceutical, a hepatoprotective agent, an EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor, a NMDA receptor agonist, a micronutrient, a fundamental metabolite and a neurotransmitter. It is an alpha-amino acid, a serine family amino acid and a proteinogenic amino acid. It is a conjugate base of a glycinium. It is a conjugate acid of a glycinate. It is a tautomer of a glycine zwitterion.
The molecule CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)COC(=O)CCCCCCCC[C@H](C)CCCCCCCC is an alpha-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are (10R)-10-methyloctadecanoyl and palmitoyl (hexadecanoyl) respectively. It has a role as an antigen.
The molecule [N]=N\N=N\N=[N-] [N]=N\N=N\N=[N-] is hexanitride(.1-). It is also related to or classified as hexaatomic nitrogen , inorganic radical anion .
The molecule CCC(C)C(NC(C)=O)C(O)=O CCC(C)C(NC(C)=O)C(O)=O is an  isoleucine derivative that is the N-acetyl derivative of isoleucine. It has the role of human metabolite . It is also related to or classified as isoleucine derivative .
The molecule O=C1OCC2=C(C3=CC4=C(OCO4)C=C3)C3=C(C=CC4=C3OCO4)C=C12 O=C1OCC2=C(C3=CC4=C(OCO4)C=C3)C3=C(C=CC4=C3OCO4)C=C12 is A furonaphthodioxole that is furo[3',4':6,7]naphtho[1,2-d][1,3]dioxol-7(9H)-one substituted by a 1,3-benzodioxol-5-yl group at posiiton 10. It is a inhibitor of HBV, HCV and HSV-1 viruses. It has the role of antineoplastic agent . It has the role of anti-HBV agent . It has the role of plant metabolite . It is also related to or classified as lignan  .  It is also related to or classified as furonaphthodioxole  . It is also related to or classified as benzodioxoles .
The molecule C[C@@]\\1([C@@H](/C/2=C/C3=C(C(=C(N3)CC4=C(C(=C(N4)/C=C\\5/[C@@]([C@@H](C(=N5)/C=C1\\[NH2+]2)CCC(=O)[O-])(C)CC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-] is heptaanionic form of precorrin-2. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a precorrin-2.
The molecule C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC=O)O)C)C)C)C)O)O is a cardenolide glycoside that is gitoxin in which the 16beta-hydroxy group has been formylated. It has a role as a metabolite. It derives from a gitoxin.
The molecule C[N+](C)(C)CC(O)CC([O-])=O C[N+](C)(C)CC(O)CC([O-])=O is an amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is butyrate . It is also related to or classified as amino-acid betaine .
The molecule C[C@@H]1CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C C[C@@H]1CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C is LSM-39238. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C is N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP([O-])([O-])=O [NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP([O-])([O-])=O is conjugate base of alpha-D-glucosamine 1-phosphate. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)CN(C2=O)CC#C)C is mixture of 20% (1R)-cis- (CHEBI:39372) and 80% (1R)-trans- (CHEBI:39373) isomers. It has a role as a pyrethroid ester insecticide. It is a member of cyclopropanes and an imidazolidinone. It contains a (1R)-cis-imiprothrin and a (1R)-trans-imiprothrin. It derives from a chrysanthemic acid.
The molecule CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)[C@H](CC(C)C)O)OC)C(=O)OC2 is a dibenzodioxocine that is 5H,7H-dibenzo[b,g][1,5]dioxocin-5-one substituted by a hydroxy group at position 11, a (1S)-1-hydroxy-3-methylbutyl group at position 3 and a methoxy and a methyl group at positions 4 and 9 respectively. It is isolated from the culture broth of Penicillium asperosporum and acts as an acyl-CoA:cholesterol acyltransferase inhibitor. It has a role as an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor, an antimicrobial agent and a Penicillium metabolite. It is a member of phenols, an aromatic ether, a lactone, a secondary alcohol and a dibenzodioxocine.
The molecule CC(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 CC(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 is A pyrazolidine that is phenylbutazone in which the two methylene hydrogens at postion 3 on the butyl chain are replaced by an oxo group. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . Its functional parent is phenylbutazone . It is also related to or classified as pyrazolidines , methyl ketone .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O)NC(=O)C)CO)O)O is a linear amino trisaccharide comprising an N,9-O-diacetyl-alpha-neuraminyl residue (2->3)-linked to a beta-D-galactosyl residue, which is in turn linked (1->3) to N-acetyl-beta-D-glucosamine. It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
The molecule [H]C(=O)[C@H](C)O [H]C(=O)[C@H](C)O is (S)-lactaldehyde. It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as lactaldehyde  .
The molecule C=CC[NH+]1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O is an organic cation obtained by protonation of the tertiary amino function of N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol. It is an ammonium ion derivative and an organic cation. It is a conjugate base of a N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol.
The molecule CC1OC(C)=C(O)C1=O CC1OC(C)=C(O)C1=O is A member of the class of furans that is 2,5-dimethylfuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively. It has been found particularly in strawberries and other such fruits. It has the role of flavouring agent . It has the role of fragrance . It has the role of plant metabolite . It is a conjugate acid of 4-hydroxy-2,5-dimethylfuran-3-olate .  It is also related to or classified as enol  . It is also related to or classified as furans , cyclic ketone .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C is 1-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCN1C[C@@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)Br CCN1C[C@@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)Br is (6S,7S,8R)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a phosphatidylglycerol(1-) that is the conjugate base of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol obtained by deprotonation of the phosphate OH group; major species at pH 7.3. It is a phosphatidylglycerol(1-) and a 1,2-diacyl-sn-glycero-3-phosphoglycerol(1-). It is a conjugate base of a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol.
The molecule C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)C)=O C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)C)=O is an aldehydo-N-acyl-D-mannosamine 6-phosphate that has acetyl as the acyl group. Its functional parent is aldehydo-D-mannosamine . It is a conjugate acid of N-acetyl-D-mannosamine 6-phosphate(2-) . It is also related to or classified as aldehydo-N-acyl-D-mannosamine 6-phosphate  .
The molecule C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCC=C2C)C is a diterpenyl phosphate that is the O-diphospho derivative of (-)-kolavenol It has a role as a plant metabolite. It is a diterpenyl phosphate and a member of octahydronaphthalenes. It is a conjugate acid of a (-)-kolavenyl diphosphate(3-). It is an enantiomer of a (+)-kolavenyl diphosphate.
The molecule CCCCCCCc1cc(O)c2ccccc2[n+]1[O-] CCCCCCCc1cc(O)c2ccccc2[n+]1[O-] is an inhibitor of the mitochondrial respiratory chain at cytochrome bc1 and of photosynthetic electron flow immediately before cytochrome b559. It is also related to or classified as quinoline N-oxide , monohydroxyquinoline .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)F C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)F is 1-[[(3R,9R,10R)-16-(benzenesulfonamido)-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-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)NC(=O)[C@H](CCO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)NC(=O)[C@H](CCO)O)O)OC)O)NC(=O)[C@H](CCO)O is an amido trisaccharide fragment which mimicks the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Ogawa. It derives from an alpha-D-mannose.
The molecule CC(C)N1C(=O)CC2=C1C=CC(=C2)NC3=NC=C(C(=N3)NCC4=CC(=CC=C4)S(=O)(=O)C)C(F)(F)F is a member of the class of pyrimidines that is pyrimidine which has been substituted at positions 2, 4, and 5 by (1-isopropyl-2-oxo-2,3-dihydro-1H-indol-5-yl)amino, [3-(methylsulfonyl)benzyl]amino, and trifluoromethyl groups, respectively. It is a sulfone, a secondary amino compound, a member of pyrimidines, a member of oxindoles and a member of (trifluoromethyl)benzenes.
The molecule CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12 CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12 is A benzo[5,6]cyclohepta[1,2-b]pyridine having a 1-methylpiperidin-4-ylidene group at the 11-position. It has the role of H1-receptor antagonist . It has the role of anti-allergic agent . It is also related to or classified as tertiary amine  . It is also related to or classified as benzocycloheptapyridine .
The molecule [O-]C(=O)[C@@H]1CC(=O)NC(=O)N1 [O-]C(=O)[C@@H]1CC(=O)NC(=O)N1 is A dihydroorotate that is the conjugate base of (S)-dihydroorotic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as dihydroorotate  .
The molecule C(/C=C/CC)(=O)[H] C(/C=C/CC)(=O)[H] is A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk. It has the role of plant metabolite . It is also related to or classified as 2-pentenal  .
The molecule C[C@@H]([C@H](CC(=O)C(=O)O)O)O is a ketoaldonic acid and a hexonic acid. It derives from a L-fuconic acid. It is a conjugate acid of a 2-dehydro-3-deoxy-L-fuconate.
The molecule CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O is N-acetyl-D-mannosaminolactone. Its functional parent is 2-amino-2-deoxy-D-mannonic acid . It is also related to or classified as N-acyl-D-mannosaminolactone  .
The molecule CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO is a pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. It has a role as a metabolite, an antiviral agent, an analgesic, an anti-inflammatory agent and an antineoplastic agent. It is a pentacyclic triterpenoid and a diol. It derives from a hydride of a lupane.
The molecule O[C@@H](CC([O-])=O)C([O-])=O O[C@@H](CC([O-])=O)C([O-])=O is an optically active form of malate having (S)-configuration. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as malate(2-)  .
The molecule C[C@H](O)C([O-])=O C[C@H](O)C([O-])=O is an optically active form of lactate having (S)-configuration. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as lactate  .
The molecule C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)[O-] is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of benazolin. It is a conjugate base of a benazolin.
The molecule C1=CC=C(C=C1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] is a peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-[(2-phenylethyl)carbamothioyl]glutathione; major species at pH 7.3. It is a conjugate base of a S-[(2-phenylethyl)carbamothioyl]glutathione.
The molecule [H][C@]12CC[C@@]3([H])[C@]4(C)CCC[C@@](C)(C([O-])=O)[C@@]4([H])[C@H](C=O)[C@@]3(CC1=C)C2 [H][C@]12CC[C@@]3([H])[C@]4(C)CCC[C@@](C)(C([O-])=O)[C@@]4([H])[C@H](C=O)[C@@]3(CC1=C)C2 is conjugate base of gibberellin A12 aldehyde. It is also related to or classified as gibberellin carboxylic acid anion .
The molecule O([C@H]1[C@H](O)[C@H](O[C@H](O)[C@H]1O)CO)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O O([C@H]1[C@H](O)[C@H](O[C@H](O)[C@H]1O)CO)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O is A disaccharride consisting of beta-D-xylopyranose and alpha-D-mannopyranose joined in sequence by a (1->3) glycosidic bond. It is also related to or classified as glycoside  . It is also related to or classified as glycosylmannose .
The molecule C1[C@H]2[C@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N C1[C@H]2[C@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N is 4-[4-[(6R,7R,8S)-8-(hydroxymethyl)-2-oxo-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 CC(=CCCC(C)(C=C)O)C is a monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. It has a role as a plant metabolite, a volatile oil component, an antimicrobial agent and a fragrance. It is a tertiary alcohol and a monoterpenoid.
The molecule CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O is a cephalosporin antibiotic containing at the 7beta-position of the cephem skeleton an (R)-amino(phenyl)acetamido group. It has a role as an antimicrobial agent. It is a cephalosporin and a beta-lactam antibiotic allergen.
The molecule O([C@H]1[C@H](O)[C@H](O[C@H](O)[C@@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@H]1[C@H](O)[C@H](O[C@H](O)[C@@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A alpha-D-Glcp-(1->4)-[alpha-D-Glcp-(1->6)]-D-Glcp which has alpha- configuration at the anomeric carbon of the non-terminal glucopyranose ring. It is also related to or classified as beta-D-Glcp-(1->3)-[beta-D-Glcp-(1->6)]-D-Glcp  .