anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCC/C=C\\C/C=C\\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\\C/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (6Z,9Z)-octadecadienoyl respectively. It has a role as a mouse metabolite. It derives from a (6Z,9Z)-octadecadienoic acid.
The molecule COc1cccc2CC(OC(=O)c12)c1ccc(O)cc1 COc1cccc2CC(OC(=O)c12)c1ccc(O)cc1 is scorzotomentosin, (rac)-. It has the role of metabolite . It is also related to or classified as 2-benzopyran .
The molecule CS(=O)(=O)CC[C@@H](C(=O)O)N is an L-methionine derivative in which the sulfur has been oxidised to the corresponding sulfone. It has a role as an animal metabolite. It is a L-methionine derivative, a non-proteinogenic L-alpha-amino acid and a methionine sulfone. It is a tautomer of a methionine sulfone zwitterion.
The molecule [H]C(C1=CC=C(O1)[N+]([O-])=O)=C1C(=O)NN(C1=O)C1=CC=C(C=C1)C(=O)OCC [H]C(C1=CC=C(O1)[N+]([O-])=O)=C1C(=O)NN(C1=O)C1=CC=C(C=C1)C(=O)OCC is an ethyl ester resulting from the formal condensation of the carboxy group of 4-{4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoic acid with ethanol. It is an irreversible and cell-permeable inhibitor of ubiquitin-activating enzyme E1. It has the role of EC 6.2.1.45 (E1 ubiquitin-activating enzyme) inhibitor . It has the role of antineoplastic agent . It is also related to or classified as ethyl ester  . It is also related to or classified as furans , C-nitro compound , benzoate ester , pyrazolidines .
The molecule CCCC(=O)[O-].[Na+] is an organic sodium salt resulting from the replacement of the proton from the carboxy group of butyric acid by a sodium ion. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor. It contains a butyrate.
The molecule CC(=O)c1ccc(O)cc1 CC(=O)c1ccc(O)cc1 is A monohydroxyacetophenone carrying a hydroxy substituent at position 4'. It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of fungal metabolite . It is also related to or classified as monohydroxyacetophenone .
The molecule CCCCCCCC/C=C\\CCCCCCCCOCC(=O)COP(=O)([O-])[O-] is a 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleylglycerone 3-phosphate; major species at pH 7.3. It is a conjugate base of a 1-oleylglycerone 3-phosphate.
The molecule CC(=C)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(=C)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 methacrylic acid. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is coenzyme A . Its functional parent is methacrylic acid . It is a conjugate acid of methacrylyl-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule CC1=C(SC=[N+]1CC2=C[NH+]=C(N=C2N)C)CCO.O.O.[Cl-].[Cl-] is a hydrate that is the dihydrate form of thiamine hydrochloride. It has a role as a B vitamin. It contains a thiamine hydrochloride.
The molecule C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC[C@H](CN)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@H](C)NC(=O)C4(CC5=CC=CC=C5C4)NC(=O)CN)O is a fifteen-membered glycopeptide comprising glycyl, 2-aminoindane-2-formyl, alanyl, glycyl, phenylalanyl, (5R)-5-(beta-D-galactopyranosyloxy)lysyl, glycyl. alpha-glutamyl, glutaminyl, glycyl, prolyl, lysyl, glycyl, alpha-glutamyl and threonine residues coupled in sequence.
The molecule Oc1cccc2\C(OC(=O)c12)=C\c1ccc(O)c(O)c1 Oc1cccc2\C(OC(=O)c12)=C\c1ccc(O)c(O)c1 is an isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a 3,4-dihydroxybenzylidene group at position 3. It has been isolated from the roots of  Scorzonera judaica. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as catechols  . It is also related to or classified as gamma-lactone  . It is also related to or classified as isobenzofuranone .
The molecule COC(=O)[C@H](CC1=CC=CC=C1)N is an alpha-amino acid ester that is the methyl ester of L-phenylalanine. It is an alpha-amino acid ester and a L-phenylalanine derivative.
The molecule CN[C@]1(CCCCC1=O)C2=CC=CC=C2Cl is the R- (less active) enantiomer of ketamine. It has a role as an intravenous anaesthetic, an analgesic and a NMDA receptor antagonist. It is an enantiomer of an esketamine.
The molecule CC1(C)[C@]2([C@](CC([C@@]1(C2)[H])=O)(CO)[H])[H] CC1(C)[C@]2([C@](CC([C@@]1(C2)[H])=O)(CO)[H])[H] is A cyclic monoterpene ketone that is bicyclo[3.1.1]heptan-2-one which is substituted at positions 4, 6, and 6 by hydroxymethyl, methyl, and methyl groups (the 1R,4S,5R stereoisomer). It has been found in Japanese Paeoniae Radix, which has been used in various Chinese medicinal preparations as an anodyne, sedative, antispasmodic, and astringent. It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as cyclic monoterpene ketone , monoterpenoid , carbobicyclic compound .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C=C(\\C)/CC/C=C(\\C)/CCC1C(O1)(C)C)/C)/C)C is a squalene triterpenoid obtained by formal epoxidation across the 2,3 C=C bond of squalene. It is an epoxide and a squalene triterpenoid. It derives from a hydride of a squalene.
The molecule C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3[O-])[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O is the conjugate base of isovitexin 2''-O-beta-D-glucoside arising from selective deprotonation of 6-hydroxy group; major species at pH 7.3. It is a conjugate base of an isovitexin 2''-O-beta-D-glucoside.
The molecule COC1=CC2=C(C=C1)OC[C@H]([C@@H]2OS(=O)(=O)[O-])C3=C(C(=CC(=C3)/C=C/C(=O)O)OC)O is an organosulfonate oxoanion that is the conjugate base of torvanol A hydrogen sulfate. It is a conjugate base of a torvanol A hydrogen sulfate.
The molecule OC[C@H]1O[C@@H](Oc2ccc(cc2)C2Cc3cccc(O)c3C(=O)O2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2ccc(cc2)C2Cc3cccc(O)c3C(=O)O2)[C@H](O)[C@@H](O)[C@@H]1O is A member of the class of dihydroisocoumarins that is hydrangenol attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is hydrangenol . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as phenols  . It is also related to or classified as monosaccharide derivative , dihydroisocoumarins .
The molecule C([C@@H](C(=O)[O-])[NH3+])[Se] is zwitterionic form of L-selenocysteine having a anionic carboxy group and a cationic amino group; major species at pH 7.3. It is a tautomer of a L-selenocysteine.
The molecule C[C@@]1(C[C@]2([C@H](CC(=O)O2)OO1)C)CCCCCC/C=C/C=C/C3=CC=CC=C3 is an organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata. It has a role as a metabolite. It is a gamma-lactone and an organic heterobicyclic compound.
The molecule CC(C)CC(C(=O)NC/C=C/C=C\\C=C\\C(=C\\C=C/C=C(/C)\\C(CC(=O)N/C(=C\\C=C\\C=C\\C(C)C(=O)O)/C)O)\\C)O is a polyene antibiotic obtained from Bacillus subtilis 168 that is active against a broad spectrum of bacteria. It is notoriously unstable. It has a role as an antimicrobial agent, an antibacterial agent and a bacterial metabolite. It is an enamine, a secondary alcohol, a polyketide, a polyene antibiotic and a monocarboxylic acid amide.
The molecule [Fe] [Fe] is an iron group element atom that has atomic number 26. It has the role of micronutrient . It has the role of Escherichia coli metabolite . It is also related to or classified as iron group element atom .
The molecule COc1cc(ccc1O)[C@H]1O[C@@H](O)[C@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1 COc1cc(ccc1O)[C@H]1O[C@@H](O)[C@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1 is A lignan that is pinoresinol substituted by a hydroxy group at position 4. It has been isolated from the roots of Scorzonera judaica. It has the role of plant metabolite . Its functional parent is pinoresinol . It is also related to or classified as guaiacols  . It is also related to or classified as lignan  . It is also related to or classified as furofuran .
The molecule Oc1cc2cc([nH]c2cc1O)C([O-])=O Oc1cc2cc([nH]c2cc1O)C([O-])=O is 5,6-dihydroxyindole-2-carboxylate. It has the role of human metabolite . It is a conjugate acid of 5,6-dioxidoindole-2-carboxylate . It is also related to or classified as dihydroxyindole , indolecarboxylate .
The molecule CC(C(=O)[O-])O.[Na+] is an organic sodium salt having lactate as the counterion. It has a role as a food preservative and a food acidity regulator. It is an organic sodium salt and a lactate salt. It contains a lactate.
The molecule CCO[C@@H](CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)C(=O)O is a monocarboxylic acid that is (2S)-2-ethoxy-3-(p-ethoxyphenyl)propanoic acid in which one of the methyl hydrogens of the p-ethoxy substituent has been replaced by the nitrogen of 2-methyl-5-[4-(methylthio)phenyl]-1H-pyrrole. An agonist at the subtypes alpha and gamma of the peroxisome proliferator-activated receptor (PPAR) with predominant PPARalpha activity, it is used in the treatment of type 2 diabetes. It has a role as a PPARgamma agonist, a hypoglycemic agent and a PPARalpha agonist. It is a member of pyrroles, a monocarboxylic acid, a methyl sulfide and an aromatic ether.
The molecule C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\\C)OC)(NC(=O)O2)O is an organic heterotetracyclic compound and 19-membered macrocyclic lactam antibiotic originally isolated from the Ethiopian shrub Maytenus serrata but also found in other Maytenus species. It exhibits cytotoxicity against many tumour cell lines. It has a role as a plant metabolite, an antimicrobial agent, an antineoplastic agent, a tubulin modulator and an antimitotic. It is an epoxide, a carbamate ester, an organochlorine compound, an alpha-amino acid ester, an organic heterotetracyclic compound and a maytansinoid.
The molecule FC(F)(F)S(=O)(=O)Oc1ccc2nc(Oc3ccccc3)ccc2c1 FC(F)(F)S(=O)(=O)Oc1ccc2nc(Oc3ccccc3)ccc2c1 is A member of the class of quinolines that is 2,6-dihydroxyquinoline in which the hydroxy group at position 2 has been converted to the corresponding phenyl ether while that at position 6 has been converted to the corresponding triflate ester.  It is also related to or classified as triflate ester  . It is also related to or classified as quinolines .
The molecule Cc1c[nH]cn1 Cc1c[nH]cn1 is imidazole substituted at position 4 by a methyl group. It has the role of carcinogenic agent . It has the role of reaction intermediate . It is also related to or classified as imidazoles .
The molecule C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C is a cholestanoid that is 7-dehydrocholesterol carrying an additional hydroxy substituent at position 24 (24S-stereoisomer). It has a role as a human metabolite. It is a cholestanoid, a 3beta-hydroxy-Delta(5)-steroid, a 24-hydroxy steroid and a C27-steroid. It derives from a cholesta-5,7-dien-3beta-ol.
The molecule CCN(CC)C1=CC=C(C=C1)C=O is a member of the class of benzaldehydes carrying a diethylamino substituent at position 4. It has a role as an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It is a member of benzaldehydes, a tertiary amino compound and an aromatic amine.
The molecule O[C@H]([C@H]1OC(=O)c2c1cccc2O)c1ccc(O)cc1 O[C@H]([C@H]1OC(=O)c2c1cccc2O)c1ccc(O)cc1 is an isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a (S)-hydroxy(4-hydroxyphenyl)methyl group at position 3. It has been isolated from the roots of Scorzonera judaica. It has the role of plant metabolite . It is also related to or classified as phenols  . 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 isobenzofuranone .
The molecule C(CCN)C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)N is a dipeptide obtained by formal condensation of the carboxy group of L-lysine with the amino group of D-glutamic acid. It is a constituent of bacterial peptidoglycan type A4alpha. It derives from a L-lysine and a D-glutamic acid.
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O is an amino trisaccharide that is 2-acetamido-2-deoxy-alpha-D-galactopyranose in which the hydroxy groups at positions 3 and 6 have been converted into the corresponding beta-D-galactopyranosyl derivatives. It is a member of acetamides and an amino trisaccharide. It derives from a beta-D-Gal-(1->3)-alpha-D-GalNAc.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O is a linear amino trisaccharide consisting of a chain of beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-D-galactosamine residues linked sequentially (1->4) and (1->3). It has a role as an epitope. It is an amino trisaccharide, a glucosamine oligosaccharide and a galactosamine oligosaccharide.
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=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 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxohexacosanoic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a very long-chain fatty acyl-CoA and a 3-oxo-fatty acyl-CoA. It derives from a hexacosanoyl-CoA and a 3-oxohexacosanoic acid. It is a conjugate acid of a 3-oxohexacosanoyl-CoA(4-).
The molecule COC[C@@H]1[C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)OC4=C5COC(=O)C5=C(C6=CC(=C(C=C64)OC)OC)C7=CC8=C(C=C7)OCO8)CO)OC)OC is a member of the class of cleistanthins that is cleistanthin C in which the hydroxy group at position 4 of the 2,3-di-O-methyl-beta-D-xylopyranosyl moiety has been converted to the corresponding 2,3,5-tri-O-methyl-D-xylofuranoside. It is a member of cleistanthins and a trisaccharide derivative. It derives from a cleistanthin C.
The molecule O[C@@H]([C@H]1OC(=O)c2c1cccc2O)c1ccc(O)cc1 O[C@@H]([C@H]1OC(=O)c2c1cccc2O)c1ccc(O)cc1 is an isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a (R)-hydroxy(4-hydroxyphenyl)methyl group at position 3. It has been isolated from the roots of Scorzonera judaica. It has the role of plant metabolite . It is also related to or classified as phenols  . 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 isobenzofuranone .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=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 very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of hexacosanoic (cerotic) acid.. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a hexacosanoic acid. It is a conjugate acid of a hexacosanoyl-CoA(4-).
The molecule O1[C@@]2([C@]3(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@@]([C@@](C3)([C@H](O)C2)[H])(C1=O)COC(=O)C5=CC=CC=C5)C O1[C@@]2([C@]3(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@@]([C@@](C3)([C@H](O)C2)[H])(C1=O)COC(=O)C5=CC=CC=C5)C is A monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora. It has the role of neuroprotective agent . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  . 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 bridged compound , benzoate ester , monoterpene glycoside .
The molecule C1[C@@H]2CC([C@H]1[C@@]([C@@H]2C3=CC=CC=C3)(C(=O)C4=CC=CC=C4)N)OC(=O)CCC(=O)O is a dicarboxylic acid monoester that is succinic acid monoesterified with 6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-ol It is a primary amino compound, a dicarboxylic acid monoester, an aromatic ketone and a hemisuccinate. It derives from a succinic acid. It derives from a hydride of a norbornane.
The molecule CCCCCCCCCC[C@H]([C@H]1CC[C@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O)O is a polyketide isolated from the bark of Asimina triloba. It has been shown to exhibit cytotoxicity in the NCI human tumor cell line screen. It has a role as a plant metabolite and an antineoplastic agent. It is a polyketide, a butenolide and a triol.
The molecule CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It has the role of algal metabolite . Its functional parent is adenosine . It is also related to or classified as thioadenosine .
The molecule [N-]=[N+]=[N-].[Na+] is the sodium salt of hydrogen azide (hydrazoic acid). It has a role as a mutagen, an antibacterial agent and an explosive. It contains an azide anion.
The molecule C(CCC(=O)[O-])CC(=O)[O-] is a dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of adipic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of an adipate(1-).
The molecule OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc(cc3)C3Cc4cccc(O)c4C(=O)O3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc(cc3)C3Cc4cccc(O)c4C(=O)O3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O is A member of the class of dihydroisocoumarins that is hydrangenol attached to a  beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is hydrangenol . It is also related to or classified as phenols  . It is also related to or classified as disaccharide derivative , dihydroisocoumarins .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(O)C=3OC(C(=O)C3C=C2)=CC4=CC(O)=C(O)C=C4)COC(=O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(O)C=3OC(C(=O)C3C=C2)=CC4=CC(O)=C(O)C=C4)COC(=O)C is Maritimetin 6-(6''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as aurones  .
The molecule OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1 OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1 is A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3', 4', 5 and 7. It is thought to play an important role in the human body as an antioxidant, a free radical scavenger, an anti-inflammatory agent and an immune system modulator as well as being active against several cancers. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of radical scavenger . It has the role of immunomodulator . It has the role of vascular endothelial growth factor receptor antagonist . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of EC 2.3.1.85 (fatty acid synthase) inhibitor . It has the role of nephroprotective agent . It has the role of plant metabolite . It has the role of c-Jun N-terminal kinase inhibitor . It is a conjugate acid of luteolin-7-olate . It is also related to or classified as 3'-hydroxyflavonoid  . It is also related to or classified as tetrahydroxyflavone  .
The molecule C1=CC=C(C=C1)C(=O)N[C@H](CCCN=C(N)N)C(=O)O is a member of the class of N-benzoyl-D-arginines that is D-arginine in which one of the hydrogens of attached to the alpha-amino group has been replaced by a benzoyl group. It is a member of benzamides and a member of N-benzoyl-D-arginines. It is an enantiomer of a N-benzoyl-L-arginine. It is a tautomer of a N-benzoyl-D-arginine zwitterion.
The molecule CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)N[C@@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC is a glycopeptide that is vancomycin lacking the vancoaminyl residue. It has a role as an antimicrobial agent and a bacterial metabolite. It is a monosaccharide derivative, a cyclic ether, a heterodetic cyclic peptide, a polyphenol, an organochlorine compound and a glycopeptide. It derives from a vancomycin aglycone. It is a tautomer of a devancoaminyl vancomycin zwitterion.
The molecule O1[C@@]2([H])[C@]3([C@]4(O[C@@]5(O[C@@H]([C@@H](O)[C@H](O)[C@]5(O[C@@]14C)[H])CO)[H])C[C@]3(C(C2)=O)[H])COC(C=6C=CC=CC6)=O O1[C@@]2([H])[C@]3([C@]4(O[C@@]5(O[C@@H]([C@@H](O)[C@H](O)[C@]5(O[C@@]14C)[H])CO)[H])C[C@]3(C(C2)=O)[H])COC(C=6C=CC=CC6)=O is an organic heteropentacyclic compound with formula C23H26O10, isolated from several species of Paeoniae. It has the role of plant metabolite . It is also related to or classified as bridged compound , benzoate ester , organic heteropentacyclic compound , cyclic ketone , cyclic ketal .
The molecule C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-] is a pentacarboxylic acid anion. It is a conjugate base of a pentetate(2-). It is a conjugate acid of a pentetate(4-).
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 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 is A beta-D-Galp-(1->2)-D-Glcp in which the carbon bearing the anomeric hydroxy group has beta configuration. Its functional parent is beta-D-glucose . Its functional parent is beta-D-galactose . It is also related to or classified as beta-D-Galp-(1->2)-D-Glcp  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[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[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O is an amino oligosaccharide that is a tetradecasaccharide derivative in which two N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl branched pentasaccharide units are linked (1->3) and (1->6) to the mannose residue of a beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-[alpha-L-fucosyl-(1->6)]-N-acetyl-D-glucosamine branched tetrasaccharide. It is an amino oligosaccharide, a galactosamine oligosaccharide and a glucosamine oligosaccharide.
The molecule C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC(=C4)O is a hydroxychrysene that is chrysene in which the hydrogen at position 2 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene. It has a role as a xenobiotic metabolite and a xenoestrogen.