1.0 2019-10-16 14:36:19 UTC 2019-10-16 14:36:19 UTC FDB093743 O-Coumaric acid glucuronide C15H16O9 340.284 340.079432095 6-{2-[(1Z)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 6-{2-[(1Z)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid [H]C(=C([H])C1=CC=CC=C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O InChI=1S/C15H16O9/c16-9(17)6-5-7-3-1-2-4-8(7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-5- KRKMNGLGYXJMBZ-WAYWQWQTSA-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 Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cinnamic acids Coumaric acids Dicarboxylic acids and derivatives Hexoses Hydrocarbon derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Pyrans Secondary alcohols Styrenes 1-o-glucuronide Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Coumaric acid Coumaric acid or derivatives Dicarboxylic acid or derivatives Glucuronic acid or derivatives Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Secondary alcohol Styrene logp -0.26 ALOGPS logs -1.75 ALOGPS solubility 6.10e+00 g/l ALOGPS logp -0.12 ChemAxon pka_strongest_acidic 3.01 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-{2-[(1Z)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 340.284 ChemAxon mono_mass 340.079432095 ChemAxon smiles [H]C(=C([H])C1=CC=CC=C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O ChemAxon formula C15H16O9 ChemAxon inchi InChI=1S/C15H16O9/c16-9(17)6-5-7-3-1-2-4-8(7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-5- ChemAxon inchikey KRKMNGLGYXJMBZ-WAYWQWQTSA-N ChemAxon polar_surface_area 153.75 ChemAxon refractivity 77.05 ChemAxon polarizability 31.64 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 131315 Specdb::CMs 139049 Specdb::MsMs 2350132 Specdb::MsMs 2350133 Specdb::MsMs 2350134 Specdb::MsMs 2588098 Specdb::MsMs 2588099 Specdb::MsMs 2588100 Specdb::NmrOneD 75332 Specdb::NmrOneD 75333 Specdb::NmrOneD 75334 Specdb::NmrOneD 75335 Specdb::NmrOneD 75336 Specdb::NmrOneD 75337 Specdb::NmrOneD 75338 Specdb::NmrOneD 75339 Specdb::NmrOneD 75340 Specdb::NmrOneD 75341 Specdb::NmrOneD 75342 Specdb::NmrOneD 75343 Specdb::NmrOneD 75344 Specdb::NmrOneD 75345 Specdb::NmrOneD 75346 Specdb::NmrOneD 75347 Specdb::NmrOneD 75348 Specdb::NmrOneD 75349 Specdb::NmrOneD 75350 Specdb::NmrOneD 75351 FOBI:030386