1.0 2012-01-20 01:22:46 UTC 2025-11-19 03:00:10 UTC FDB030006 Vanilloylglycine A polyphenol metabolite detected in biological fluids [PhenolExplorer] C10H11NO5 225.198 225.063722467 2-{[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}acetic acid {[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}acetic acid COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O InChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14) LOODYTDRRBLQNH-UHFFFAOYSA-N belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. Hippuric acids Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzoyl derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Secondary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Alpha-amino acid or derivatives Anisole Aromatic homomonocyclic compound Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Ether Hippuric acid Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Secondary carboxylic acid amide logp 0.74 ALOGPS logs -2.46 ALOGPS solubility 7.73e-01 g/l ALOGPS logp 0.75 ChemAxon pka_strongest_acidic 3.22 ChemAxon pka_strongest_basic 1.37 ChemAxon iupac 2-{[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}acetic acid ChemAxon average_mass 225.198 ChemAxon mono_mass 225.063722467 ChemAxon smiles COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O ChemAxon formula C10H11NO5 ChemAxon inchi InChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14) ChemAxon inchikey LOODYTDRRBLQNH-UHFFFAOYSA-N ChemAxon polar_surface_area 99.35 ChemAxon refractivity 55.08 ChemAxon polarizability 21.53 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5903 Specdb::CMs 48012 Specdb::CMs 133782 Specdb::CMs 141516 Specdb::MsMs 241063 Specdb::MsMs 241064 Specdb::MsMs 241065 Specdb::MsMs 243118 Specdb::MsMs 243119 Specdb::MsMs 243120 Specdb::MsMs 3224317 Specdb::MsMs 3224318 Specdb::MsMs 3224319 Specdb::MsMs 3224320 Specdb::MsMs 3224321 Specdb::MsMs 3224322 HMDB0060026