1.0 2010-04-08 22:12:18 UTC 2025-11-19 01:45:21 UTC FDB016206 3-Galloyl-1,4-galactarolactone Constituent of the fruit of emblic (Phyllanthus emblica). 3-Galloyl-1,4-galactarolactone is found in fruits. 3-Galloyl-1,4-galactarolactone 3-O-Galloyl-1,4-galactarolactone C13H12O11 344.2278 344.037961226 2-hydroxy-2-[4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid hydroxy[4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid OC(C1OC(=O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)23-10-8(18)13(22)24-9(10)7(17)11(19)20/h1-2,7-10,14-18H,(H,19,20) AKRXKEBXBSHTKE-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 0.52 ALOGPS logs -1.61 ALOGPS solubility 8.43e+00 g/l ALOGPS logp -0.84 ChemAxon pka_strongest_acidic 2.52 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-hydroxy-2-[4-hydroxy-5-oxo-3-(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(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O ChemAxon formula C13H12O11 ChemAxon inchi InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)23-10-8(18)13(22)24-9(10)7(17)11(19)20/h1-2,7-10,14-18H,(H,19,20) ChemAxon inchikey AKRXKEBXBSHTKE-UHFFFAOYSA-N ChemAxon polar_surface_area 191.05 ChemAxon refractivity 70.41 ChemAxon polarizability 29.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21369 Specdb::CMs 45262 Specdb::CMs 162589 Specdb::NmrOneD 139470 Specdb::NmrOneD 139471 Specdb::NmrOneD 139472 Specdb::NmrOneD 139473 Specdb::NmrOneD 139474 Specdb::NmrOneD 139475 Specdb::NmrOneD 139476 Specdb::NmrOneD 139477 Specdb::NmrOneD 139478 Specdb::NmrOneD 139479 Specdb::NmrOneD 139480 Specdb::NmrOneD 139481 Specdb::NmrOneD 139482 Specdb::NmrOneD 139483 Specdb::NmrOneD 139484 Specdb::NmrOneD 139485 Specdb::NmrOneD 139486 Specdb::NmrOneD 139487 Specdb::NmrOneD 139488 Specdb::NmrOneD 139489 Specdb::MsMs 101751 Specdb::MsMs 101752 Specdb::MsMs 101753 Specdb::MsMs 167430 Specdb::MsMs 167431 Specdb::MsMs 167432 Specdb::MsMs 2667100 Specdb::MsMs 2667101 Specdb::MsMs 2667102 Specdb::MsMs 3011702 Specdb::MsMs 3011703 Specdb::MsMs 3011704 HMDB37201 #<Reference:0x000055ce31f74158> Fruits Unknown generic