1.0 2010-04-08 22:12:07 UTC 2025-11-19 01:01:47 UTC FDB015901 2-Galloylgalactaric acid Constituent of the fruit of emblic (Phyllanthus emblica). 2-Galloylgalactaric acid is found in fruits. 2-Galloylgalactaric acid 2-O-Galloylgalactaric acid 2-O-Galloylmucic acid C13H14O12 362.2431 362.048525912 2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acid 2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acid OC(C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C(O)C(O)=O InChI=1S/C13H14O12/c14-4-1-3(2-5(15)6(4)16)13(24)25-10(12(22)23)8(18)7(17)9(19)11(20)21/h1-2,7-10,14-19H,(H,20,21)(H,22,23) KJWXZHRHCSMFSY-UHFFFAOYSA-N belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Glucuronic acid derivatives Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha hydroxy acids and derivatives Benzoyl derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Galloyl esters Hydrocarbon derivatives Monosaccharides Organic oxides Polyols Pyrogallols and derivatives Secondary alcohols Tricarboxylic acids and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alpha-hydroxy acid Aromatic homomonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Gallic acid or derivatives Galloyl ester Glucuronic acid or derivatives Hydrocarbon derivative Hydroxy acid M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide Organic oxide P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Secondary alcohol Tricarboxylic acid or derivatives logp 0.48 ALOGPS logs -1.65 ALOGPS solubility 8.09e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 2.4 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acid ChemAxon average_mass 362.2431 ChemAxon mono_mass 362.048525912 ChemAxon smiles OC(C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C(O)C(O)=O ChemAxon formula C13H14O12 ChemAxon inchi InChI=1S/C13H14O12/c14-4-1-3(2-5(15)6(4)16)13(24)25-10(12(22)23)8(18)7(17)9(19)11(20)21/h1-2,7-10,14-19H,(H,20,21)(H,22,23) ChemAxon inchikey KJWXZHRHCSMFSY-UHFFFAOYSA-N ChemAxon polar_surface_area 222.28 ChemAxon refractivity 73.9 ChemAxon polarizability 30.75 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20618 Specdb::CMs 45135 Specdb::CMs 172087 Specdb::MsMs 87330 Specdb::MsMs 87331 Specdb::MsMs 87332 Specdb::MsMs 149811 Specdb::MsMs 149812 Specdb::MsMs 149813 Specdb::MsMs 2757600 Specdb::MsMs 2757601 Specdb::MsMs 2757602 Specdb::MsMs 2947917 Specdb::MsMs 2947918 Specdb::MsMs 2947919 Specdb::NmrOneD 137450 Specdb::NmrOneD 137451 Specdb::NmrOneD 137452 Specdb::NmrOneD 137453 Specdb::NmrOneD 137454 Specdb::NmrOneD 137455 Specdb::NmrOneD 137456 Specdb::NmrOneD 137457 Specdb::NmrOneD 137458 Specdb::NmrOneD 137459 Specdb::NmrOneD 137460 Specdb::NmrOneD 137461 Specdb::NmrOneD 137462 Specdb::NmrOneD 137463 Specdb::NmrOneD 137464 Specdb::NmrOneD 137465 Specdb::NmrOneD 137466 Specdb::NmrOneD 137467 Specdb::NmrOneD 137468 Specdb::NmrOneD 137469 HMDB36932 #<Reference:0x000055ce32aecee0> Fruits Unknown generic