1.0 2010-04-08 22:12:07 UTC 2025-11-19 01:01:49 UTC FDB015903 6-Methyl 2-galloylgalactarate Constituent of the fruit of emblic (Phyllanthus emblica). 6-Methyl 2-galloylgalactarate is found in fruits. 6-Methyl 2-galloylgalactarate C14H16O12 376.2696 376.064175976 3,4,5-trihydroxy-6-methoxy-6-oxo-2-(3,4,5-trihydroxybenzoyloxy)hexanoic acid 3,4,5-trihydroxy-6-methoxy-6-oxo-2-(3,4,5-trihydroxybenzoyloxy)hexanoic acid COC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O InChI=1S/C14H16O12/c1-25-14(24)10(20)8(18)9(19)11(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) UVUGMMKTRWZGRA-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 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 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 0.49 ALOGPS logs -1.75 ALOGPS solubility 6.62e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 2.75 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4,5-trihydroxy-6-methoxy-6-oxo-2-(3,4,5-trihydroxybenzoyloxy)hexanoic acid ChemAxon average_mass 376.2696 ChemAxon mono_mass 376.064175976 ChemAxon smiles COC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O ChemAxon formula C14H16O12 ChemAxon inchi InChI=1S/C14H16O12/c1-25-14(24)10(20)8(18)9(19)11(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 UVUGMMKTRWZGRA-UHFFFAOYSA-N ChemAxon polar_surface_area 211.28 ChemAxon refractivity 78.67 ChemAxon polarizability 33.42 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 76191 Specdb::MsMs 76192 Specdb::MsMs 76193 Specdb::MsMs 135966 Specdb::MsMs 135967 Specdb::MsMs 135968 Specdb::MsMs 2284306 Specdb::MsMs 2284307 Specdb::MsMs 2284308 Specdb::MsMs 3081624 Specdb::MsMs 3081625 Specdb::MsMs 3081626 Specdb::CMs 9387 Specdb::CMs 45137 Specdb::CMs 173717 Specdb::NmrOneD 137490 Specdb::NmrOneD 137491 Specdb::NmrOneD 137492 Specdb::NmrOneD 137493 Specdb::NmrOneD 137494 Specdb::NmrOneD 137495 Specdb::NmrOneD 137496 Specdb::NmrOneD 137497 Specdb::NmrOneD 137498 Specdb::NmrOneD 137499 Specdb::NmrOneD 137500 Specdb::NmrOneD 137501 Specdb::NmrOneD 137502 Specdb::NmrOneD 137503 Specdb::NmrOneD 137504 Specdb::NmrOneD 137505 Specdb::NmrOneD 137506 Specdb::NmrOneD 137507 Specdb::NmrOneD 137508 Specdb::NmrOneD 137509 HMDB36934 #<Reference:0x000055ce307ad3a8> Fruits Unknown generic