1.02019-10-15 19:48:39 UTC2019-10-15 19:48:39 UTCFDB0935922-Aminophenol glucuronideC12H15NO7285.252285.084851827(2S,3S,4S,5R,6S)-6-(2-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6S)-6-(2-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid[H][C@@]1(OC2=CC=CC=C2N)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OInChI=1S/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1ZVFVTBSWJWONEI-GOVZDWNOSA-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 glycosidesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAromatic heteromonocyclic compoundsAcetalsAmino acidsAniline and substituted anilinesBeta hydroxy acids and derivativesCarbonyl compoundsCarboxylic acidsHexosesHydrocarbon derivativesMonocarboxylic acids and derivativesO-glucuronidesO-glycosyl compoundsOrganic oxidesOrganopnictogen compoundsOxacyclic compoundsOxanesPhenol ethersPhenoxy compoundsPolyolsPrimary aminesPyransSecondary alcohols1-o-glucuronideAcetalAlcoholAmineAmino acidAmino acid or derivativesAniline or substituted anilinesAromatic heteromonocyclic compoundBenzenoidBeta-hydroxy acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeGlucuronic acid or derivativesHexose monosaccharideHydrocarbon derivativeHydroxy acidMonocarboxylic acid or derivativesMonocyclic benzene moietyMonosaccharideO-glucuronideO-glycosyl compoundOrganic nitrogen compoundOrganic oxideOrganoheterocyclic compoundOrganonitrogen compoundOrganopnictogen compoundOxacycleOxanePhenol etherPhenolic glycosidePhenoxy compoundPolyolPrimary aminePyranSecondary alcohollogp-1.03logs-0.93solubility3.35e+01 g/llogp-2.2pka_strongest_acidic2.85pka_strongest_basic4.59iupac(2S,3S,4S,5R,6S)-6-(2-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidaverage_mass285.252mono_mass285.084851827smiles[H][C@@]1(OC2=CC=CC=C2N)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OformulaC12H15NO7inchiInChI=1S/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1inchikeyZVFVTBSWJWONEI-GOVZDWNOSA-Npolar_surface_area142.47refractivity64.75polarizability26.48rotatable_bond_count3acceptor_count8donor_count5physiological_charge-1formal_charge0FOBI:030672