1.0 2010-04-08 22:12:33 UTC 2019-11-26 03:13:32 UTC FDB016633 1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate Trace metabolite of corn. 1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate is found in cereals and cereal products. 1-(2-Hydroxyphenylamino)-1-deoxy-b-D-gentiobioside 1,2-carbamate C19H25NO12 459.4013 459.137675269 6,7-dihydroxy-3-(2-hydroxyphenyl)-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one 6,7-dihydroxy-3-(2-hydroxyphenyl)-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one 396714-64-0 OCC1OC(OCC2OC3C(OC(=O)N3C3=CC=CC=C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C19H25NO12/c21-5-9-11(23)13(25)15(27)18(31-9)29-6-10-12(24)14(26)16-17(30-10)20(19(28)32-16)7-3-1-2-4-8(7)22/h1-4,9-18,21-27H,5-6H2 UQUJYJFBLXCVJV-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Azacyclic compounds Benzene and substituted derivatives Carbamate esters Carbonyl compounds Disaccharides Hydrocarbon derivatives Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Oxazolidinones Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbamic acid ester Carbonic acid derivative Carbonyl group Disaccharide Hydrocarbon derivative Monocyclic benzene moiety O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Oxazolidine Oxazolidinone Phenol Polyol Primary alcohol Secondary alcohol logp -1.34 ALOGPS logs -0.99 ALOGPS solubility 4.71e+01 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 8.41 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6,7-dihydroxy-3-(2-hydroxyphenyl)-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one ChemAxon average_mass 459.4013 ChemAxon mono_mass 459.137675269 ChemAxon smiles OCC1OC(OCC2OC3C(OC(=O)N3C3=CC=CC=C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C19H25NO12 ChemAxon inchi InChI=1S/C19H25NO12/c21-5-9-11(23)13(25)15(27)18(31-9)29-6-10-12(24)14(26)16-17(30-10)20(19(28)32-16)7-3-1-2-4-8(7)22/h1-4,9-18,21-27H,5-6H2 ChemAxon inchikey UQUJYJFBLXCVJV-UHFFFAOYSA-N ChemAxon polar_surface_area 198.84 ChemAxon refractivity 99.46 ChemAxon polarizability 42.64 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17664 Specdb::CMs 45454 Specdb::CMs 131307 Specdb::CMs 139041 Specdb::NmrOneD 141690 Specdb::NmrOneD 141691 Specdb::NmrOneD 141692 Specdb::NmrOneD 141693 Specdb::NmrOneD 141694 Specdb::NmrOneD 141695 Specdb::NmrOneD 141696 Specdb::NmrOneD 141697 Specdb::NmrOneD 141698 Specdb::NmrOneD 141699 Specdb::NmrOneD 141700 Specdb::NmrOneD 141701 Specdb::NmrOneD 141702 Specdb::NmrOneD 141703 Specdb::NmrOneD 141704 Specdb::NmrOneD 141705 Specdb::NmrOneD 141706 Specdb::NmrOneD 141707 Specdb::NmrOneD 141708 Specdb::NmrOneD 141709 Specdb::MsMs 99711 Specdb::MsMs 99712 Specdb::MsMs 99713 Specdb::MsMs 164895 Specdb::MsMs 164896 Specdb::MsMs 164897 Specdb::MsMs 2845076 Specdb::MsMs 2845077 Specdb::MsMs 2845078 Specdb::MsMs 2860894 Specdb::MsMs 2860895 Specdb::MsMs 2860896 HMDB37551 #<Reference:0x000055ce31eaf920> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic