1.0 2019-10-16 14:39:34 UTC 2025-11-19 03:06:46 UTC FDB093750 Pyrogallol 2-glucuronide C12H14O9 302.2342 302.063782046 (2S,3S,4S,5R,6S)-6-(2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,3S,4S,5R,6S)-6-(2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [H][C@@]1(OC2=C(O)C=CC=C2O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C12H14O9/c13-4-2-1-3-5(14)9(4)20-12-8(17)6(15)7(16)10(21-12)11(18)19/h1-3,6-8,10,12-17H,(H,18,19)/t6-,7-,8+,10-,12+/m0/s1 SOHXEAWMMVSJFL-COGRHJPHSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Pyrans Resorcinols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Resorcinol Secondary alcohol logp -0.22 ALOGPS logs -0.94 ALOGPS solubility 3.47e+01 g/l ALOGPS logp -0.89 ChemAxon pka_strongest_acidic 2.98 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6S)-6-(2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 302.2342 ChemAxon mono_mass 302.063782046 ChemAxon smiles [H][C@@]1(OC2=C(O)C=CC=C2O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C12H14O9 ChemAxon inchi InChI=1S/C12H14O9/c13-4-2-1-3-5(14)9(4)20-12-8(17)6(15)7(16)10(21-12)11(18)19/h1-3,6-8,10,12-17H,(H,18,19)/t6-,7-,8+,10-,12+/m0/s1 ChemAxon inchikey SOHXEAWMMVSJFL-COGRHJPHSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 64.01 ChemAxon polarizability 26.45 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 33885 Specdb::CMs 48005 Specdb::CMs 134775 Specdb::CMs 142509 Specdb::CMs 147051 Specdb::CMs 147054 Specdb::CMs 279573 Specdb::NmrOneD 55562 Specdb::NmrOneD 55563 Specdb::NmrOneD 55564 Specdb::NmrOneD 55565 Specdb::NmrOneD 55566 Specdb::NmrOneD 55567 Specdb::NmrOneD 55568 Specdb::NmrOneD 55569 Specdb::NmrOneD 55570 Specdb::NmrOneD 55571 Specdb::NmrOneD 55572 Specdb::NmrOneD 55573 Specdb::NmrOneD 55574 Specdb::NmrOneD 55575 Specdb::NmrOneD 55576 Specdb::NmrOneD 55577 Specdb::NmrOneD 55578 Specdb::NmrOneD 55579 Specdb::NmrOneD 55580 Specdb::NmrOneD 55581 Specdb::MsMs 888142 Specdb::MsMs 888143 Specdb::MsMs 888144 Specdb::MsMs 929818 Specdb::MsMs 929819 Specdb::MsMs 929820 Specdb::MsMs 3224278 Specdb::MsMs 3224279 Specdb::MsMs 3224280 Specdb::MsMs 3224281 Specdb::MsMs 3224282 Specdb::MsMs 3224283 HMDB0060017 FOBI:030434