anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(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 CC(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 an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lactic acid. Its functional parent is rac-lactic acid . It is a conjugate acid of lactoyl-CoA(4-) . It is also related to or classified as hydroxyacyl-CoA .
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)CC4CC4 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)CC4CC4 is N-[(3S,9S,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]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN(C)C(=O)NC1=CC=C(C=C1)Cl is a member of the class of phhenylureas that is urea in which one of the nitrogens is substituted by a p-chlorophenyl group while the other is substituted by two methyl groups. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a member of monochlorobenzenes and a member of phenylureas.
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O is a D-mannose 1-phosphate with an alpha-configuration at the anomeric position. It is a D-mannose 1-phosphate and an alpha-D-hexose 1-phosphate. It derives from an alpha-D-mannose. It is a conjugate acid of an alpha-D-mannose 1-phosphate(2-).
The molecule C([C@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-] is tetraanion of D-ribulose 1,5-bisphosphate arising from deprotonation of all four phosphate OH groups; major species at pH 7.3. It is a conjugate base of a D-ribulose 1,5-bisphosphate.
The molecule [2H]O[2H] [2H]O[2H] is dideuterium oxide. It has the role of NMR solvent . It has the role of NMR chemical shift reference compound . It is also related to or classified as water  . It is also related to or classified as deuterated compound .
The molecule C(O)([C@@H](N)CCCCNC(C(O)(C)C)=O)=O C(O)([C@@H](N)CCCCNC(C(O)(C)C)=O)=O is an N(6)-acyl-L-lysine that has 2-hydroxyisobutanoyl as the N(6)-acyl group. It is also related to or classified as N(6)-acyl-L-lysine  .
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)NC3CCCCC3 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)NC3CCCCC3 is 3-cyclohexyl-1-[[(3S,9S,10R)-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-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[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O)CO)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H](C=C(O4)C(=O)O)O)O)O)O is a tetrasaccharide consisting of beta-D-Delta(4)-glucopyranuronic acid, beta-D-glucopyranosyl, alpha-L-rhamnopyranosyl and beta-D-glucopyranosyl residues, joined in sequence by (1->4), (1->4) and (1->3)-glycosidic bonds, respectively. It is a conjugate acid of a beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp(1-).
The molecule [Cl-].[Cl-].[NH3+]CC[NH2+]c1cccc2ccccc12 [Cl-].[Cl-].[NH3+]CC[NH2+]c1cccc2ccccc12 is an ethylenediamine dihydrochloride compound having an N-(1-naphthyl) substituent. It is also related to or classified as hydrochloride .
The molecule COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)OC is an N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a (4-phenoxyphenyl)aminocarbonyl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a 6,7-dimethoxyquinazolin-4-yl group. It is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a N-arylpiperazine, a N-carbamoylpiperazine, an aromatic ether, a member of phenylureas, a member of quinazolines and a tertiary amino compound.
The molecule N#CC#N N#CC#N is A dinitrile that is ethane substituted by two cyano groups. It is also related to or classified as pseudohalogen  . It is also related to or classified as dinitrile  .
The molecule O1[C@]([C@H](NC(=O)C)[C@@H](O)C[C@@]1(C(O)=O)OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](O)[C@H]2O)([C@H](O)[C@H](O)CO)[H] O1[C@]([C@H](NC(=O)C)[C@@H](O)C[C@@]1(C(O)=O)OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](O)[C@H]2O)([C@H](O)[C@H](O)CO)[H] is an amino disaccharide composed of N-acetylneuraminic acid and 2-(acetylamino)-2-deoxy-D-galactopyranose residues joined by an (alpha-2->6) glycosidic bond. It is also related to or classified as acetamides , amino disaccharide , monocarboxylic acid , neuraminic acids .
The molecule C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2] is a magnesium salt composed of magnesium and citrate ions in a 3:2 ratio. It has a role as a laxative. It contains a citrate(3-).
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO O1[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO is A D-lyxofuranose which has alpha-configuration at the anomeric centre. It is also related to or classified as D-lyxofuranose  .
The molecule C(C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CN)CN=C(N)N is a polypeptide composed of dipeptide Gly-Arg units joined via peptide linkages. It derives from a glycine and a L-arginine.
The molecule OC(=O)c1cc(O)c2ccccc2n1 OC(=O)c1cc(O)c2ccccc2n1 is A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. It has the role of nicotinic antagonist . It has the role of NMDA receptor antagonist . It has the role of neuroprotective agent . It has the role of G-protein-coupled receptor agonist . It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is a conjugate acid of kynurenate . It is also related to or classified as quinolinemonocarboxylic acid , monohydroxyquinoline .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)[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)NS(=O)(=O)C3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F is N-[(3R,9S,10S)-12-[(2S)-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]-3,5-dimethyl-4-isoxazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[C@H]1CC[C@@H](CC1=O)C(O)=O O[C@H]1CC[C@@H](CC1=O)C(O)=O is (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid. Its functional parent is cyclohexanecarboxylic acid . It is a conjugate acid of (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as 4-oxo monocarboxylic acid , 5-hydroxy monocarboxylic acid .
The molecule COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)[O-])O is a flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group. It is a conjugate base of a hesperetin.
The molecule [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O is A potassium salt that is the dipotassium salt of dichromic acid. It has the role of sensitiser . It has the role of allergen . It has the role of oxidising agent . It is also related to or classified as potassium salt .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@H]([C@@H]([C@H](O[C@@H]5O[C@H]6[C@H]([C@@H]([C@H](OC6O)CO)O)O)CO)O)O)CO)O)O)CO)O)O)CO)O)O)O)O)O)O is a linear hexasaccharide consisting of D-mannosyl residues connected by two beta- and three alpha-1,2-linkages, obtained from Candida albicans cell-wall D-mannan.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\\CCCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 11Z-octadecenoyl respectively. It has a role as a mouse metabolite. It derives from a cis-vaccenic acid and a hexadecanoic acid.
The molecule ClC1=CC=2C(=NC(C=3SC=C(N3)C=4N(C(=C(SC)C(C4OC)=O)C(=O)NCCOC(=O)C)C)=CC2)C=C1 ClC1=CC=2C(=NC(C=3SC=C(N3)C=4N(C(=C(SC)C(C4OC)=O)C(=O)NCCOC(=O)C)C)=CC2)C=C1 is Lodopyridone B.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .
The molecule CCCCCCNC(O)=O CCCCCCNC(O)=O is an amino acid consisting of carbamic acid having an N-hexyl substituent. Its functional parent is carbamic acid . It is also related to or classified as amino acid .
The molecule N[C@H](COP(O)(O)=O)C(O)=O N[C@H](COP(O)(O)=O)C(O)=O is the D-enantiomer of O-phosphoserine. It is a conjugate acid of O-phosphonatooxy-D-serine(2-) . It is also related to or classified as O-phosphoserine  .
The molecule CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O is 1,4-bis(2-ethylhexyl) sulfosuccinate. It is also related to or classified as organosulfonic acid  . It is also related to or classified as diester  .
The molecule C[C@H](CC[C@@H](C(=C)C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2[C@H](C[C@@H]5[C@]3(C4)CC[C@@H]([C@@]5(C)C(=O)O)O)OC(=O)C)C)C is a pentacyclic triterpenoid that is 9beta,19-cyclolanost-25-en-28-oic acid substituted by an acetyloxy group at position 7 and hydroxy groups at positions 3 and 24. It has been isolated from the leaves of Combretum quadrangulare. It has a role as a metabolite and a plant metabolite. It is an acetate ester, a hydroxy monocarboxylic acid and a pentacyclic triterpenoid. It derives from a hydride of a cycloartane.
The molecule O=C1N[C@@H](C(=O)N[C@H]1CC2=CC=C(O)C=C2)CC=3C4=C(C=CC=C4)NC3 O=C1N[C@@H](C(=O)N[C@H]1CC2=CC=C(O)C=C2)CC=3C4=C(C=CC=C4)NC3 is Trans-cyclo-(D-tryptophanyl-L-tyrosyl). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(CCCl)CO is a primary alcohol that is butan-1-ol substituted by a chloro group at position 4. It has a role as a metabolite. It is a primary alcohol and an organochlorine compound. It derives from a butan-1-ol.
The molecule C[C@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C C[C@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C is LSM-38832. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule N[C@@H](CCCNC(N)=N)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N N[C@@H](CCCNC(N)=N)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N is A purine ribonucleoside 5'-monophosphate that is adenosine 5'-monophosphate in which one of the hydroxy groups of the phosphate has been condensed with the carboxylic acid group of L-arginine. Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as L-arginine ester  . It is also related to or classified as purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate .
The molecule C1C2(CN1C(=O)C3=CN=CC=C3)[C@@H]([C@H](N2CC4=CC=C(C=C4)Cl)CO)C5=CC=CC=C5 C1C2(CN1C(=O)C3=CN=CC=C3)[C@@H]([C@H](N2CC4=CC=C(C=C4)Cl)CO)C5=CC=CC=C5 is [(2S,3R)-1-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(3-pyridinyl)methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=CC=C(C(=C1)C(=O)[O-])NP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O is dianion of N-adenylylanthranilic acid arising from deprotonation of the carboxy and phosphoramidate OH groups; major species at pH 7.3. It is a hydroxy monocarboxylic acid anion and an organic phosphoramidate anion. It is a conjugate base of a N-adenylylanthranilic acid.
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 2,3-diacyl-sn-glycerol in which both acyl groups are specified as linoleoyl. It is a 2,3-diacyl-sn-glycerol and a dilinoleoylglycerol. It derives from a linoleic acid. It is an enantiomer of a 1,2-dilinoleoyl-sn-glycerol.
The molecule COC(=O)CC(O)c1c(C)c2=CC3=[N+]4C(=Cc5c(C=C)c(C)c6C=C7C(C)=C(CCC(O)=O)C8=[N+]7[Mg--]4(n56)n2c1=C8)C(C)=C3C=C COC(=O)CC(O)c1c(C)c2=CC3=[N+]4C(=Cc5c(C=C)c(C)c6C=C7C(C)=C(CCC(O)=O)C8=[N+]7[Mg--]4(n56)n2c1=C8)C(C)=C3C=C is magnesium 13(1)-hydroxyprotoporphyrin 13-monomethyl ester. Its functional parent is magnesium protoporphyrin 13-monomethyl ester . It is a conjugate acid of magnesium 13(1)-hydroxyprotoporphyrin 13-monomethyl ester(1-) .  It is also related to or classified as methyl ester  . It is also related to or classified as magnesium porphyrin , dicarboxylic acid monoester .
The molecule CC(C)(O)CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O CC(C)(O)CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O is A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and  a 3-hydroxy-3-methylbutyl group at position 8. Its functional parent is kievitone . It is also related to or classified as tertiary alcohol  . It is also related to or classified as hydroxyisoflavanone .
The molecule CC(C)C(N)CC(O)=O CC(C)C(N)CC(O)=O is A beta-amino acid that is pentanoic acid substituted at positions 3 and 4 by amino and methyl groups respectively. It has the role of human metabolite . It is also related to or classified as beta-amino acid .
The molecule O=C(O)C1=C(NC[C@@H](O)COC2=CC=C(C(C3=CC=C(OC[C@H](O)CNC4=C(C(=O)O)C=CC=C4)C=C3)(C)C)C=C2)C=CC=C1 O=C(O)C1=C(NC[C@@H](O)COC2=CC=C(C(C3=CC=C(OC[C@H](O)CNC4=C(C(=O)O)C=CC=C4)C=C3)(C)C)C=C2)C=CC=C1 is (9R, 22R)-bisphenol A bis (9, 22-hydroxy-10, 23-anthranilicacid-propyl). It is also related to or classified as diarylmethane .
The molecule C[C@H]([C@@H]1C2=C(C(=O)C[C@]1(C)O)C(=C3C(=C2)C=CC=C3O)O)OC(=O)C is a member of the class of anthracenes that is 3,8,9-trihydroxy-3-methyl-3,4-dihydroanthracen-1(2H)-one which is substituted at position 4 by a 1-acetoxyetyl group and in which the acetoxy-bearing carbon has R configuration while the remaining two chiral centres have S configuration. A putative precursor in the biosynthesis of julichrome Q6-6. The corresponding 8-glucuronide has been isolated from a soil-derived strain of Streptomyces sp. It has a role as a fungal metabolite. It is a member of anthracenes, a carbotricyclic compound, an acetate ester, a tertiary alcohol, a member of phenols, a cyclic ketone and a polyketide.
The molecule CC(=C)[C@H](CCC(=O)C)CC(=O)O is an optically active form of 3-isopropenyl-6-oxoheptanoic acid having (3R)-configuration. It derives from a (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one. It is a conjugate acid of a (3R)-3-isopropenyl-6-oxoheptanoate. It is an enantiomer of a (3S)-3-isopropenyl-6-oxoheptanoic acid.
The molecule O=C1NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@H](C3)C O=C1NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@H](C3)C is Aristeromycin M. It is also related to or classified as nucleobase-containing molecular entity , carbohydrate derivative .
The molecule [H]C(=C([H])c1ccccc1)C(=O)c1ccccc1 [H]C(=C([H])c1ccccc1)C(=O)c1ccccc1 is A member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. It has the role of plant metabolite . It is also related to or classified as chalcones  . It is also related to or classified as styrenes .
The molecule C(CCCCCCCCCCO)CCCCC(O)=O C(CCCCCCCCCCO)CCCCC(O)=O is an omega-hydroxy-long-chain fatty acid that is hexadecanoic acid (also known as palmitic acid) which is substituted at position 16 by a hydroxy group. It is a key monomer of cutin in the plant cuticle. It has the role of plant metabolite . It is a conjugate acid of 16-hydroxyhexadecanoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxypalmitic acid .
The molecule CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O)C is a ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy group at position 6 has been converted to the corresponding beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is a 12beta-hydroxy steroid, a 3beta-hydroxy steroid, a beta-D-glucoside, a disaccharide derivative, a ginsenoside, a tetracyclic triterpenoid, a 20-hydroxy steroid and a 3beta-hydroxy-4,4-dimethylsteroid. It derives from a hydride of a dammarane.
The molecule CC\\1(C2=CC=CC=C2N(/C1=C/C=C/C3=CC=[N+](C4=CC=CC=C34)CCCS(=O)(=O)[O-])C)C is a fluorogenic cyanine dye in which N-(3-sulfopropyl)quinolinium is linked to a 1,3,3-trimethyldihydroindole via a propan-1-yl-3-ylidene chain to form a conjugated system. It has a role as a fluorescent dye. It is a quaternary ammonium salt, a cyanine dye and a zwitterion.
The molecule C1COCCOCCOCCOCCOCCO1 C1COCCOCCOCCOCCOCCO1 is A crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms. It has the role of phase-transfer catalyst . It is also related to or classified as saturated organic heteromonocyclic parent , crown ether .
The molecule CCO is a primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. It has a role as an antiseptic drug, a polar solvent, a neurotoxin, a central nervous system depressant, a teratogenic agent, a NMDA receptor antagonist, a protein kinase C agonist, a disinfectant, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a primary alcohol, an alkyl alcohol, a volatile organic compound and a member of ethanols. It is a conjugate acid of an ethoxide.
The molecule C[N+](C)(C)[C@@H](CC1=CN=C(N1)SO)C(=O)[O-] is a L-histidine derivative that is ergothioneine in which the thiol hydrogen has been replaced by a hydroxy group. It is a SO-thioperoxol, an amino-acid betaine and a L-histidine derivative. It derives from an ergothioneine.
The molecule C=1(C=C(C(=CC1)O)CO)O C=1(C=C(C(=CC1)O)CO)O is an aromatic primary alcohol that is benzyl alcohol substituted by hydroxy groups at positions 2 and 5. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of apoptosis inhibitor . It has the role of fungal metabolite . Its functional parent is hydroquinone . Its functional parent is benzyl alcohol . It is also related to or classified as phenols  . It is also related to or classified as aromatic primary alcohol  .
The molecule O1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O)[C@H](NC(=O)C)[C@@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H](O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)[C@H]1CO O1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O)[C@H](NC(=O)C)[C@@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H](O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)[C@H]1CO is an amino pentasaccharide consisting of alpha-L-fucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose, and 2-acetamido-2-deoxy-beta-D-glucopyranose joined in sequence by (1->4), (1->3), and (1->4) glycosidic bonds and in which the hydroxy group at position 3 of the non-terminal 2-acetamido-2-deoxy-beta-D-glucopyranose moiety has been to the corresponding alpha-D-galactopyranoside.  It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as acetamides , amino pentasaccharide .
The molecule C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3O)O)O is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 5 and 6. It has a role as a plant metabolite. It is a member of xanthones and a polyphenol.
The molecule C1[C@@H]2[C@@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br C1[C@@H]2[C@@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br is (6S,7S,8S)-7-(4-bromophenyl)-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 CC(C)=CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O CC(C)=CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O is A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2' and 4' and a prenyl group at position 8. It has the role of metabolite . It has the role of phytoalexin . It has the role of antineoplastic agent . It is a conjugate acid of kievitone-7-olate . It is also related to or classified as hydroxyisoflavanone .
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-[(3R,9R,10R)-12-[(2S)-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 C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OP([O-])(=O)OP([O-])(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C([O-])=O)C([O-])=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OP([O-])(=O)OP([O-])(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C([O-])=O)C([O-])=O is the organophosphate oxoanion of overall charge -3 formed from lipid II [undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine] at pH 7.3. It is also related to or classified as organophosphonate oxoanion .
The molecule S=C1SC[C@](N1C=2C3=C(OC)C=CC=C3NC2)(O)C(=O)O S=C1SC[C@](N1C=2C3=C(OC)C=CC=C3NC2)(O)C(=O)O is 4-hydroxy-3-(4-methoxy-1H-indol-3-yl)-2-thioxothiazolidine-4-carboxylic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC[C@H](C)[C@@H](C(=O)O)[NH3+] is the L-enantiomer of isoleucinium. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a conjugate acid of a L-isoleucine. It is an enantiomer of a D-isoleucinium.
The molecule C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl is a member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively. It has a role as a disinfectant, an antiseptic drug, an antimicrobial agent, an environmental contaminant and a xenobiotic. It is a dichlorobenzene, a member of monochlorobenzenes and a member of phenylureas. It derives from a 1,3-diphenylurea.