1.0 2019-10-16 14:35:28 UTC 2019-10-16 14:35:28 UTC FDB093736 N-(2-Hydroxyphenyl)acetamide glucuronide C13H15NO9 329.261 329.074681067 (2S,4S,6S)-6-[2-(carboxyamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,4S,6S)-6-[2-(carboxyamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [H][C@@]1(OC2=CC=CC=C2NC(O)=O)O[C@]([H])(C(O)=O)C([H])(O)[C@]([H])(O)C1([H])O InChI=1S/C13H15NO9/c15-7-8(16)10(11(18)19)23-12(9(7)17)22-6-4-2-1-3-5(6)14-13(20)21/h1-4,7-10,12,14-17H,(H,18,19)(H,20,21)/t7-,8?,9?,10-,12+/m0/s1 PRQFWBNVZNICDN-JUSQZNFGSA-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 Carbamic acids Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Phenylcarbamic acids Polyols Pyrans Secondary alcohols 1-o-glucuronide Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbamic acid Carbamic acid derivative Carbonic acid derivative 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 nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Phenylcarbamic acid Polyol Pyran Secondary alcohol logp -0.53 ALOGPS logs -1.17 ALOGPS solubility 2.21e+01 g/l ALOGPS logp -0.57 ChemAxon pka_strongest_acidic 2.39 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac (2S,4S,6S)-6-[2-(carboxyamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 329.261 ChemAxon mono_mass 329.074681067 ChemAxon smiles [H][C@@]1(OC2=CC=CC=C2NC(O)=O)O[C@]([H])(C(O)=O)C([H])(O)[C@]([H])(O)C1([H])O ChemAxon formula C13H15NO9 ChemAxon inchi InChI=1S/C13H15NO9/c15-7-8(16)10(11(18)19)23-12(9(7)17)22-6-4-2-1-3-5(6)14-13(20)21/h1-4,7-10,12,14-17H,(H,18,19)(H,20,21)/t7-,8?,9?,10-,12+/m0/s1 ChemAxon inchikey PRQFWBNVZNICDN-JUSQZNFGSA-N ChemAxon polar_surface_area 165.78 ChemAxon refractivity 71.77 ChemAxon polarizability 29.68 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 2296406 Specdb::MsMs 2296407 Specdb::MsMs 2296408 Specdb::MsMs 2641858 Specdb::MsMs 2641859 Specdb::MsMs 2641860 Specdb::CMs 131408 Specdb::CMs 139142 Specdb::CMs 147651 Specdb::CMs 147653 Specdb::CMs 147655 Specdb::CMs 147657 Specdb::CMs 147659 Specdb::CMs 147661 Specdb::CMs 147663 Specdb::CMs 147665 Specdb::CMs 147666 Specdb::CMs 279629 Specdb::NmrOneD 75272 Specdb::NmrOneD 75273 Specdb::NmrOneD 75274 Specdb::NmrOneD 75275 Specdb::NmrOneD 75276 Specdb::NmrOneD 75277 Specdb::NmrOneD 75278 Specdb::NmrOneD 75279 Specdb::NmrOneD 75280 Specdb::NmrOneD 75281 Specdb::NmrOneD 75282 Specdb::NmrOneD 75283 Specdb::NmrOneD 75284 Specdb::NmrOneD 75285 Specdb::NmrOneD 75286 Specdb::NmrOneD 75287 Specdb::NmrOneD 75288 Specdb::NmrOneD 75289 Specdb::NmrOneD 75290 Specdb::NmrOneD 75291 FOBI:030620