1.0 2010-04-08 22:12:18 UTC 2025-11-19 01:45:21 UTC FDB016204 2-Galloyl-1,4-galactarolactone Constituent of the fruit of emblic (Phyllanthus emblica). 2-Galloyl-1,4-galactarolactone is found in fruits. 2-Galloyl-1,4-galactarolactone 2-O-Galloyl-1,4-galactarolactone C13H12O11 344.2278 344.037961226 2-hydroxy-2-[3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid hydroxy[3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid OC(C1OC(=O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O)C(O)=O InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10-7(17)9(23-13(10)22)8(18)11(19)20/h1-2,7-10,14-18H,(H,19,20) GGQABIPBZKETPQ-UHFFFAOYSA-N belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Galloyl esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha hydroxy acids and derivatives Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyrogallols and derivatives Secondary alcohols Tetrahydrofurans 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 heteromonocyclic compound Benzenetriol Benzoate ester Benzoyl Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Galloyl ester Gamma butyrolactone Hydrocarbon derivative Hydroxy acid Lactone M-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Secondary alcohol Tetrahydrofuran Tricarboxylic acid or derivatives logp 0.48 ALOGPS logs -1.63 ALOGPS solubility 7.98e+00 g/l ALOGPS logp -0.84 ChemAxon pka_strongest_acidic 2.68 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-hydroxy-2-[3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid ChemAxon average_mass 344.2278 ChemAxon mono_mass 344.037961226 ChemAxon smiles OC(C1OC(=O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O)C(O)=O ChemAxon formula C13H12O11 ChemAxon inchi InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10-7(17)9(23-13(10)22)8(18)11(19)20/h1-2,7-10,14-18H,(H,19,20) ChemAxon inchikey GGQABIPBZKETPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 191.05 ChemAxon refractivity 70.41 ChemAxon polarizability 29.44 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108510 Specdb::MsMs 108511 Specdb::MsMs 108512 Specdb::MsMs 175749 Specdb::MsMs 175750 Specdb::MsMs 175751 Specdb::MsMs 2304405 Specdb::MsMs 2304406 Specdb::MsMs 2304407 Specdb::MsMs 3061928 Specdb::MsMs 3061929 Specdb::MsMs 3061930 Specdb::NmrOneD 139430 Specdb::NmrOneD 139431 Specdb::NmrOneD 139432 Specdb::NmrOneD 139433 Specdb::NmrOneD 139434 Specdb::NmrOneD 139435 Specdb::NmrOneD 139436 Specdb::NmrOneD 139437 Specdb::NmrOneD 139438 Specdb::NmrOneD 139439 Specdb::NmrOneD 139440 Specdb::NmrOneD 139441 Specdb::NmrOneD 139442 Specdb::NmrOneD 139443 Specdb::NmrOneD 139444 Specdb::NmrOneD 139445 Specdb::NmrOneD 139446 Specdb::NmrOneD 139447 Specdb::NmrOneD 139448 Specdb::NmrOneD 139449 Specdb::CMs 16419 Specdb::CMs 45260 Specdb::CMs 164243 HMDB37199 #<Reference:0x000055ce32f5fce8> Fruits Unknown generic