1.0 2010-04-08 22:14:58 UTC 2019-11-26 03:18:48 UTC FDB020349 2-O-Feruloylhydroxycitric acid Constituent of Zea mays (sweet corn). 2-O-Feruloylhydroxycitric acid is found in cereals and cereal products, fats and oils, and corn. 2-O-Feruloylhydroxycitric acid C16H16O11 384.2916 384.069261354 2-hydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid 2-hydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid 62345-86-2 COC1=C(O)C=CC(\C=C\C(=O)OC(C(O)=O)C(O)(CC(O)=O)C(O)=O)=C1 InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+ QAEWENIBBUMYIB-HWKANZROSA-N belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Tetracarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Alpha hydroxy acids and derivatives Anisoles Carbonyl compounds Carboxylic acids Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monosaccharides Organic oxides Phenoxy compounds Styrenes Tertiary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Alpha-hydroxy acid Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxy acid Hydroxycinnamic acid or derivatives Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene Tertiary alcohol Tetracarboxylic acid or derivatives logp 0.97 ALOGPS logs -2.71 ALOGPS solubility 7.53e-01 g/l ALOGPS melting_point Mp 154° dec. logp 0.53 ChemAxon pka_strongest_acidic 2.86 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 2-hydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid ChemAxon average_mass 384.2916 ChemAxon mono_mass 384.069261354 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(=O)OC(C(O)=O)C(O)(CC(O)=O)C(O)=O)=C1 ChemAxon formula C16H16O11 ChemAxon inchi InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+ ChemAxon inchikey QAEWENIBBUMYIB-HWKANZROSA-N ChemAxon polar_surface_area 187.89 ChemAxon refractivity 84.97 ChemAxon polarizability 34.65 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17865 Specdb::CMs 46841 Specdb::CMs 137208 Specdb::CMs 144942 Specdb::MsMs 305560 Specdb::MsMs 305561 Specdb::MsMs 305562 Specdb::MsMs 348994 Specdb::MsMs 348995 Specdb::MsMs 348996 Specdb::MsMs 2400039 Specdb::MsMs 2400040 Specdb::MsMs 2400041 Specdb::MsMs 2538698 Specdb::MsMs 2538699 Specdb::MsMs 2538700 HMDB40571 #<Reference:0x000055ce2dcda978> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Corn Type 1 specific Zea mays 4577 Fats and oils Unknown generic