1.0 2010-04-08 22:12:07 UTC 2025-11-19 01:01:48 UTC FDB015902 1-Methyl 2-galloylgalactarate Constituent of the fruit of emblic (Phyllanthus emblica). 1-Methyl 2-galloylgalactarate is found in fruits. 1-Methyl 2-galloylgalactarate C14H16O12 376.2696 376.064175976 2,3,4-trihydroxy-6-methoxy-6-oxo-5-(3,4,5-trihydroxybenzoyloxy)hexanoic acid 2,3,4-trihydroxy-6-methoxy-6-oxo-5-(3,4,5-trihydroxybenzoyloxy)hexanoic acid COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O)C(O)=O InChI=1S/C14H16O12/c1-25-14(24)11(9(19)8(18)10(20)12(21)22)26-13(23)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-20H,1H3,(H,21,22) XDMSDABSDRMKOO-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 acids Fatty acid esters Galloyl esters Hydrocarbon derivatives Methyl esters 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 Fatty acid ester Fatty acyl Gallic acid or derivatives Galloyl ester Glucuronic acid or derivatives Hydrocarbon derivative Hydroxy acid M-hydroxybenzoic acid ester Methyl 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 0.43 ALOGPS logs -1.78 ALOGPS solubility 6.18e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 2.84 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2,3,4-trihydroxy-6-methoxy-6-oxo-5-(3,4,5-trihydroxybenzoyloxy)hexanoic acid ChemAxon average_mass 376.2696 ChemAxon mono_mass 376.064175976 ChemAxon smiles COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O)C(O)=O ChemAxon formula C14H16O12 ChemAxon inchi InChI=1S/C14H16O12/c1-25-14(24)11(9(19)8(18)10(20)12(21)22)26-13(23)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-20H,1H3,(H,21,22) ChemAxon inchikey XDMSDABSDRMKOO-UHFFFAOYSA-N ChemAxon polar_surface_area 211.28 ChemAxon refractivity 78.67 ChemAxon polarizability 33.39 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15429 Specdb::CMs 45136 Specdb::CMs 171353 Specdb::MsMs 49296 Specdb::MsMs 49297 Specdb::MsMs 49298 Specdb::MsMs 126948 Specdb::MsMs 126949 Specdb::MsMs 126950 Specdb::MsMs 2264137 Specdb::MsMs 2264138 Specdb::MsMs 2264139 Specdb::MsMs 3074916 Specdb::MsMs 3074917 Specdb::MsMs 3074918 Specdb::NmrOneD 137470 Specdb::NmrOneD 137471 Specdb::NmrOneD 137472 Specdb::NmrOneD 137473 Specdb::NmrOneD 137474 Specdb::NmrOneD 137475 Specdb::NmrOneD 137476 Specdb::NmrOneD 137477 Specdb::NmrOneD 137478 Specdb::NmrOneD 137479 Specdb::NmrOneD 137480 Specdb::NmrOneD 137481 Specdb::NmrOneD 137482 Specdb::NmrOneD 137483 Specdb::NmrOneD 137484 Specdb::NmrOneD 137485 Specdb::NmrOneD 137486 Specdb::NmrOneD 137487 Specdb::NmrOneD 137488 Specdb::NmrOneD 137489 HMDB36933 #<Reference:0x000055ce32dca9c8> Fruits Unknown generic