1.0 2010-04-08 22:14:58 UTC 2019-11-26 03:18:48 UTC FDB020350 2-O-Caffeoylhydroxycitric acid Constituent of Spondias mombin (yellow mombin) and Zea mays (sweet corn). 2-O-Caffeoylhydroxycitric acid is found in many foods, some of which are cereals and cereal products, fats and oils, corn, and fruits. 2-O-Caffeoylhydroxycitric acid C15H14O11 370.2651 370.05361129 1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2-hydroxypropane-1,2,3-tricarboxylic acid 1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2-hydroxypropane-1,2,3-tricarboxylic acid 62345-87-3 OC(=O)CC(O)(C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O InChI=1S/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+ OUWOVSUGDPWIBY-DUXPYHPUSA-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 1-hydroxy-4-unsubstituted benzenoids Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Catechols Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Monosaccharides Organic oxides Styrenes Tertiary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alpha,beta-unsaturated carboxylic ester Alpha-hydroxy acid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid ester Catechol Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxy acid Hydroxycinnamic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene Tertiary alcohol Tetracarboxylic acid or derivatives logp 1.45 ALOGPS logs -2.48 ALOGPS solubility 1.21e+00 g/l ALOGPS melting_point Mp 158° dec. logp 0.39 ChemAxon pka_strongest_acidic 2.87 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2-hydroxypropane-1,2,3-tricarboxylic acid ChemAxon average_mass 370.2651 ChemAxon mono_mass 370.05361129 ChemAxon smiles OC(=O)CC(O)(C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O ChemAxon formula C15H14O11 ChemAxon inchi InChI=1S/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+ ChemAxon inchikey OUWOVSUGDPWIBY-DUXPYHPUSA-N ChemAxon polar_surface_area 198.89 ChemAxon refractivity 80.49 ChemAxon polarizability 32.65 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25447 Specdb::CMs 46842 Specdb::CMs 153585 Specdb::MsMs 322381 Specdb::MsMs 322382 Specdb::MsMs 322383 Specdb::MsMs 370273 Specdb::MsMs 370274 Specdb::MsMs 370275 Specdb::MsMs 2841183 Specdb::MsMs 2841184 Specdb::MsMs 2841185 Specdb::MsMs 2863857 Specdb::MsMs 2863858 Specdb::MsMs 2863859 HMDB40572 #<Reference:0x000055ce31edfee0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Corn Type 1 specific Zea mays 4577 Fats and oils Unknown generic Fruits Unknown generic