anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#38. It derives from an oscr#38. It is a conjugate acid of an oscr#38-CoA(4-).
The molecule [H][C@@]12CC[C@H](C)[C@@]11[C@H](O)C[C@H](C)C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@@]21[H] [H][C@@]12CC[C@H](C)[C@@]11[C@H](O)C[C@H](C)C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@@]21[H] is A sesterterpenoid natural product found in the fungus Fusarium heterosporum. It exhibits significant antiinflammatory activity in the PMA-induced mouse ear edema model. It has the role of anti-inflammatory agent . It has the role of marine metabolite . It has the role of fungal metabolite .   It is also related to or classified as pentol  . It is also related to or classified as sesterterpenoid , carbopolycyclic compound .
The molecule C1=2C(C=CC=C1)=NC(=CC2)/C=C/C=3C(=CC=CC3)O C1=2C(C=CC=C1)=NC(=CC2)/C=C/C=3C(=CC=CC3)O is A styrylquinoline that is trans-2-styrylquinoline in which the the phenyl group has been substituted at position 2 by a hydroxy group. It is an anti-angiogenic compound that exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonising cysteinyl leukotriene receptor 1. The major species at pH 7.3. It has the role of angiogenesis inhibitor . Its functional parent is trans-2-styrylquinoline .  It is also related to or classified as phenols  . It is also related to or classified as styrylquinoline .
The molecule O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC=2C3=C4C(OC2C5=CC(O)=C(O)C=C5)=CC(=[OH+])C=C4OC(=C3)C(O)=O)COC(=O)CC(O)=O O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC=2C3=C4C(OC2C5=CC(O)=C(O)C=C5)=CC(=[OH+])C=C4OC(=C3)C(O)=O)COC(=O)CC(O)=O is 5-Carboxypyranocyanidin 3-O-(6''-O-malonyl-beta-glucopyranoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is an amino oligosaccharide that is a tridecasaccharide derivative in which two pentasaccharide branches, each formed from alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannose, are linked (1->3) and (1->6) to the mannose residue of a trisaccharide chain consisting of mannose and two N-acetylglucosamine residues all linked beta(1->4) with a beta-configuration of the anomeric carbon of the N-acetylglucosamine residue at the reducing end. It has the role of epitope . It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)OP(=O)(O1)[O-])[O-] is a cyclic pyrimidine dinucleotide that consists of CMP and UMP units cyclised via 3',5'-linkages, major species at pH 7.3.
The molecule C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2 is the parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9. It has a role as an insecticide.
The molecule CCN1OCC(NC(=O)C2=C(C)C=C(C=C2)C2=NOC(C2)(C2=CC(Cl)=C(F)C(Cl)=C2)C(F)(F)F)C1=O CCN1OCC(NC(=O)C2=C(C)C=C(C=C2)C2=NOC(C2)(C2=CC(Cl)=C(F)C(Cl)=C2)C(F)(F)F)C1=O is A diastereoisomeric mixture containing containing 80-100% of the (4R,5S)-isomer and 0-20% of (4R,5R)-,(4S,5R)-, and (4S,5S)-isomers. It is a broad-spectrum insecticide and acaricide developed by Syngenta Crop Protection that is active against several pest species including lepidopteran, hemipteran, and dipteran pest species. It has the role of acaricide . It has the role of insecticide . It has the role of agrochemical . It has the role of GABA-gated chloride channel antagonist . It is also related to or classified as diastereoisomeric mixture .
The molecule COc1ccc(O)c2c1oc1cc(O)ccc1c2=O COc1ccc(O)c2c1oc1cc(O)ccc1c2=O is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 6 and a methoxy group at position 4. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as polyphenol , aromatic ether , xanthones .
The molecule CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC is a vinca alkaloid with a norvinblastine skeleton. It has a role as an antineoplastic agent and a photosensitizing agent. It is a vinca alkaloid, an organic heteropentacyclic compound, an organic heterotetracyclic compound, a methyl ester, an acetate ester and a ring assembly.
The molecule C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)C[C@H]1O C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)C[C@H]1O is A trisaccharide comprised of alpha-D-abequose and alpha-D-talose residues linked (1->3) and (1->2), respectively, to alpha-D-mannose. It is also related to or classified as trisaccharide .
The molecule CCOCCOCCO CCOCCOCCO is A primary alcohol that is ethanol substituted by a 2-ethoxyethoxy group at position 2. It has the role of protic solvent . Its functional parent is diethylene glycol . It is also related to or classified as primary alcohol  .   It is also related to or classified as hydroxypolyether  . It is also related to or classified as glycol ether , diether .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCC(=O)O)O)O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It derives from a 9-hydroxynonanoic acid. It is a conjugate acid of an oscr#10(1-).
The molecule COc1c(O)cc2c(oc3c(CC=C(C)C)c(O)cc(O)c3c2=O)c1CC=C(C)C COc1c(O)cc2c(oc3c(CC=C(C)C)c(O)cc(O)c3c2=O)c1CC=C(C)C is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7, isoprenyl groups at positions 4 and 5 and a methoxy group at position 6. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as polyphenol , aromatic ether , xanthones .
The molecule C1=CC2=C(C=C1O)NC=C2C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br is an aromatic ketone that is imidazole that is substituted at positions 2 and 5 by (6-hydroxy-1H-indol-3-yl)carbonyl and 6-bromo-1H-indol-3-yl groups respectively. Isolated from Mediterranean shallow-water sponges Topsentia genetrix, and from Caribbean deep-sea sponges of the Halichondriidae family, it has antitumour and antiviral properties. Toxic to fish. It has a role as an antiviral agent, an antineoplastic agent and a marine metabolite. It is a member of imidazoles, an indole alkaloid, a member of hydroxyindoles, a bromoindole and an aromatic ketone.
The molecule O1[C@@H](OC=2C=3OC(=C(O)C(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)C(OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C1 O1[C@@H](OC=2C=3OC(=C(O)C(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)C(OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C1 is Herbacetin 8-(2'',3'',4''-triacetylxyloside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC(=C3)C#N)[C@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC(=C3)C#N)[C@H](C)CO)C is 3-[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 is A 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has S-configuration at the chiral centre. It has the role of teratogenic agent . It is also related to or classified as 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione  .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\\CCCCCCCC)COC(=O)CCCCCCC/C=C\\CCCCCCCC)O)O is a cardiolipin derivative in which all four of the phosphatidyl acyl groups are specified as oleoyl. It has a role as an antigen. It is a conjugate acid of a tetraoleoyl cardiolipin(2-).
The molecule OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C=O OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C=O is d-Talose in its acyclic form. It is also related to or classified as D-talose  .
The molecule COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)[C@@H]5CC(=O)C6=C(C=C(C=C6O5)O)O)OC is a biflavonoid that is 2,3-dihydroamentoflavone in which the hydroxy groups at positions 4' and 4'' have been replac ed by methoxy groups. It has been isolated from the leaves of Podocarpus macrophyllus var macrophyllus. It has a role as a plant metabolite. It is a biflavonoid, a hydroxyflavone, a hydroxyflavanone, a methoxyflavanone and a methoxyflavone. It derives from an amentoflavone.
The molecule CC(C)=CCc1c(O)c(O)c(O)c2oc3cc4OC(Cc4c(O)c3c(=O)c12)C(C)=C CC(C)=CCc1c(O)c(O)c(O)c2oc3cc4OC(Cc4c(O)c3c(=O)c12)C(C)=C is an organic heterotetracyclic compound that is 2,3-dihydro-5H-furo[3,2-b]xanthen-5-one substituted by hydroxy groups at positions 4, 7, 8 and 9, an isoprenyl group at position 6 and a prop-1-en-2-yl group at position 2. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as polyphenol , cyclic ether , organic heterotetracyclic compound , cyclic ketone .
The molecule C1[C@@H]2[C@H]([C@@H](N2C(=O)CN1C(=O)CC3=CC=NC=C3)CO)C4=CC=C(C=C4)Br C1[C@@H]2[C@H]([C@@H](N2C(=O)CN1C(=O)CC3=CC=NC=C3)CO)C4=CC=C(C=C4)Br is (6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-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@H](/C=C/C=C\\CC(/C=C/C=C/C=C\\C(CCCC(=O)O)O)O)O is a member of the class of resolvins that is (6Z,8E,10E,14Z,16E)-icosapentaenoic acid carrying three hydroxy substituents at positions 5, 12, and 18R. It is a resolvin, a nonclassic icosanoid, a triol and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a (6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosapentaenoate.
The molecule CC(C(=O)C)C(=O)OCC1=CC=CC=C1 is a benzyl ester obtained by the formal condensation of the carboxy group of 2-methylacetoacetic acid with the hydroxy group of benzyl alcohol. It is a fatty acid ester, a beta-ketoester, a methyl ketone and a benzyl ester. It derives from a 2-methylacetoacetic acid.
The molecule CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N is a dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-isoleucine. It is a dipeptide, a primary carboxamide, a secondary carboxamide, a primary amino compound and a carboxylic acid. It derives from a L-asparagine and a L-isoleucine.
The molecule O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 is A 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has R-configuration at the chiral centre. It has the role of sedative . It is also related to or classified as 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione  .
The molecule CO[C@@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](C)[C@H](O)C[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O CO[C@@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](C)[C@H](O)C[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O is A tetrasaccharide derivative comprised of abequose, mannose and two glucose residues in linear sequence, connected by alpha-linkages (1->3), (1->3) and (1->4), respectively, and with beta-configuration at the anomeric centre. It is also related to or classified as tetrasaccharide derivative .
The molecule NC1(CCCC1)C(O)=O NC1(CCCC1)C(O)=O is A non-proteinogenic alpha-amino acid that is cyclopentane substituted at position 1 by amino and carboxy groups. It has the role of EC 2.5.1.6 (methionine adenosyltransferase) inhibitor . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule C/C=C\\C=C(\\C(=O)O)/O is a monocarboxylic acid that is (2Z,4E)-hexa-2,4-dienoic acid in which the hydrogen at position 2 is replaced by a hydroxy group. It is an enol and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a (2Z,4Z)-2-hydroxyhexa-2,4-dienoate.
The molecule COc1cc(OC)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C COc1cc(OC)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3, methoxy groups at positions 5 and 7 and two isoprenyl groups at positions 2 and 8 respectively. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as polyphenol , aromatic ether , xanthones .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[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)NC3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4CC4 is 1-[(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]-3-(3,5-dimethyl-4-isoxazolyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=CC(=C(C(=C1)O)C(=O)CCC2=CC=C(C=C2)O)O is a member of the class of dihydrochalcones that is the 4'-methyl ether derivative of phloretin. It has a role as a plant metabolite. It derives from a phloretin.
The molecule C([C@@H]([C@H](C(=O)[C@@H](C(=O)O)O)O)O)OP(=O)(O)O is a ketoaldonic acid derivative that is the 6-(dihydrogen phosphate) derivative of 3-dehydro-L-gulonic acid. It has a role as an Escherichia coli metabolite. It derives from a 3-dehydro-L-gulonic acid. It is a conjugate acid of a 3-dehydro-L-gulonate 6-phosphate.
The molecule C1=CC=C(C=C1)CCC(=NO)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O is a desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-phenylpropanethioamide with beta-D-glucopyranose. It has a role as an Arabidopsis thaliana metabolite.
The molecule CC(C)(CCC(O)=O)C(O)=O CC(C)(CCC(O)=O)C(O)=O is an alpha,omega-dicarboxylic acid that is pentanedioic acid with two methyl groups substituted at position C-2. It has the role of metabolite . It is also related to or classified as alpha,omega-dicarboxylic acid .
The molecule CN(C)C(=S)S is a member of the class of dithiocarbamic acids that is dimethylcarbamic acid in which both of the oxygens are replaced by sulfur. It is a conjugate acid of a dimethyldithiocarbamate.
The molecule O1[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@H]([C@H]2O)O)[C@H](N)[C@@H](O)[C@@H]([C@H]1CO)O O1[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@H]([C@H]2O)O)[C@H](N)[C@@H](O)[C@@H]([C@H]1CO)O is X-14847. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule CC(C)=CCc1c(O)cc2oc3c(O)cc(O)c(CC=C(C)C)c3c(=O)c2c1O CC(C)=CCc1c(O)cc2oc3c(O)cc(O)c(CC=C(C)C)c3c(=O)c2c1O is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 5 and 7 and two isoprenyl groups at positions 2 and 8 respectively. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as polyphenol , xanthones .
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC(CC=C4)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxycyclohexa-1,5-diene-1-carboxylic acid. It derives from a cyclohexa-1,5-diene-1-carbonyl-CoA. It is a conjugate acid of a 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4-).
The molecule CCCCS([O-])(=O)=O CCCCS([O-])(=O)=O is an alkanesulfonate in which the alkyl group directly linked to the sulfonate functionality is butyl. It is also related to or classified as 1,1-diunsubstituted alkanesulfonate  .
The molecule C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)C[C@H]1O C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)C[C@H]1O is A branched pentasaccharide comprised of an alpha-D-glucosyl-(1->4)-beta-D-glucosyl-(1->4)-alpha-D-mannosyl-(1->2)-alpha-D-mannose tetrasaccharide chain, on to the non-reducing mannosyl residue of which is attached an abequosyl residue via a (1->3) linkage. It is also related to or classified as pentasaccharide .
The molecule CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC(=O)O[C@@]4(CC3)C)C)C is an acetate ester, a gamma-lactone, a cyclic terpene ketone, an enone, a limonoid and an organic heterotetracyclic compound. It has a role as a plant metabolite.
The molecule CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c12 CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c12 is A member of the class of xanthones that is 9H-xanthen-9-one substituted by a geranyl group at position 8, hydroxy groups at positions 1, 3, 5 and 7 and an isoprenyl group at position 2. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as polyphenol , xanthones .
The molecule CCCN[C@H]1CCC2=C(C1)SC(=N2)N.Cl.Cl is a hydrochloride that is the anhydrous dihydrochloride salt of pramipexole. It has a role as a dopamine agonist and an antiparkinson drug. It contains a pramipexole(2+).
The molecule C(CCCCCCC)C(=CC=O)[H] C(CCCCCCC)C(=CC=O)[H] is an undecenal in which the C=C bond is located at the 2-3 position.   It is also related to or classified as n-alk-2-enal  . It is also related to or classified as undecenal , volatile organic compound .
The molecule CCCCC/C=C\\C=C\\C(C/C=C\\CCCCCCC(=O)[O-])OO is a hydroperoxyicosatrienoate that is the conjugate base of (8Z,12E,14Z)-11-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroperoxyicosatrienoate and a long-chain fatty acid anion. It derives from an all-cis-icosa-8,11,14-trienoate. It is a conjugate base of an (8Z,12E,14Z)-11-hydroperoxyicosatrienoic acid.
The molecule OC(=O)CNC(=O)Cc1ccccn1 OC(=O)CNC(=O)Cc1ccccn1 is an N-acylglycine in which the acyl group is specified as  2-pyridylacetyl. It has the role of metabolite . It is also related to or classified as N-acylglycine  . It is also related to or classified as pyridines .
The molecule C[C@H](CCC=C(C)C)CCO is a citronellol that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7 (the 3R-enantiomer). It is an enantiomer of a (S)-(-)-citronellol.
The molecule S1(=O)(=O)C(\C=C/2\[C@]3([C@@]([C@](CC3)([C@@H](CO)C)[H])(CCC2)C)[H])C4=C(C1)CC[C@H](O)C4 S1(=O)(=O)C(\C=C/2\[C@]3([C@@]([C@](CC3)([C@@H](CO)C)[H])(CCC2)C)[H])C4=C(C1)CC[C@H](O)C4 is (6RS)-22-hydroxy-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct. It is also related to or classified as organosulfur heterocyclic compound .
The molecule [H][C@]12C\C(C)=C\[C@@H](O)C\C(C)=C\CC\C(C)=C\C[C@]1([H])C(=C)C(=O)O2 [H][C@]12C\C(C)=C\[C@@H](O)C\C(C)=C\CC\C(C)=C\C[C@]1([H])C(=C)C(=O)O2 is A cembrane diterpenoid isolated from the soft coral Lobophytum crassum and shown to have anti-inflammatory and antineoplastic activity. It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . It has the role of coral metabolite . 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 cembrane diterpenoid .
The molecule CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C=C(\\C)/C(=O)[O-])/C)/C)C is a monocarboxylic acid anion that is the conjugate base of 4,4'-diaponeurosporenoic acid, obtained by deprotonation of the carboxy group. Major structure at pH 7.3. It is a conjugate base of a 4,4'-diaponeurosporenoic acid.
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4 is 1-[[(3R,9S,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CNC1=CC=CC=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C3N=C(NC4=O)N)COP(=O)(O)OP(=O)(O)O is a purine ribonucleoside 5'-diphosphate that is GDP substituted at the 3' position by an N-methylanthraniloyl group. It has a role as a fluorescent probe. It derives from a GDP and a N-methylanthranilic acid.
The molecule Cc1ccccc1C(=O)NCC(O)=O Cc1ccccc1C(=O)NCC(O)=O is an N-acylglycine that is the ortho-methyl derivative of hippuric acid. It has the role of metabolite . It is also related to or classified as N-acylglycine  .
The molecule CC1=CC(=CC2=C1C3C4=C(C5=C(C=C4CC(O3)(O2)C)C(C6=C(C5=O)C(=CC(=C6)O)O)(C)C)O)O is an organic heterohexacyclic compound that is 6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one substituted by hydroxy groups at positions 3, 11, 13 and 15, methyl groups at positions 1 and 4 and geminal methyl groups at position 9 respectively. It is isolated from the fermentation broth of Streptomyces violaceusniger and exhibits moderate antibacterial activity. It has a role as a metabolite, an antimicrobial agent and an antibacterial agent. It is an organic heterohexacyclic compound, a polyphenol, a bridged compound, an oxacycle and a cyclic ketone.