1.0 2010-04-08 22:12:22 UTC 2019-11-26 03:13:01 UTC FDB016316 Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one Isolated from the roots of oats (Avena sativa) and corn (Zea mays). Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one is found in oat and cereals and cereal products. 1-(2-Hydroxyphenylamino)-1-deoxyglucoside 1,2-carbamate C13H15NO7 297.2607 297.084851839 6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-hexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one 6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one 396714-67-3 OCC1OC2C(OC(=O)N2C2=CC=CC=C2O)C(O)C1O InChI=1S/C13H15NO7/c15-5-8-9(17)10(18)11-12(20-8)14(13(19)21-11)6-3-1-2-4-7(6)16/h1-4,8-12,15-18H,5H2 XBYMZYWXQBJAJG-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. 1-hydroxy-4-unsubstituted benzenoids Organic compounds Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Benzene and substituted derivatives Carbamate esters Carbonyl compounds Hydrocarbon derivatives Monosaccharides Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Oxazolidinones Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic heteropolycyclic compound Azacycle Carbamic acid ester Carbonic acid derivative Carbonyl group Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Oxazolidine Oxazolidinone Primary alcohol Secondary alcohol logp -0.71 ALOGPS logs -0.60 ALOGPS solubility 7.43e+01 g/l ALOGPS melting_point Mp 125-128° logp -0.5 ChemAxon pka_strongest_acidic 8.41 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-hexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one ChemAxon average_mass 297.2607 ChemAxon mono_mass 297.084851839 ChemAxon smiles OCC1OC2C(OC(=O)N2C2=CC=CC=C2O)C(O)C1O ChemAxon formula C13H15NO7 ChemAxon inchi InChI=1S/C13H15NO7/c15-5-8-9(17)10(18)11-12(20-8)14(13(19)21-11)6-3-1-2-4-7(6)16/h1-4,8-12,15-18H,5H2 ChemAxon inchikey XBYMZYWXQBJAJG-UHFFFAOYSA-N ChemAxon polar_surface_area 119.69 ChemAxon refractivity 67.04 ChemAxon polarizability 27.7 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13930 Specdb::CMs 45300 Specdb::CMs 135375 Specdb::CMs 143109 Specdb::MsMs 75663 Specdb::MsMs 75664 Specdb::MsMs 75665 Specdb::MsMs 135345 Specdb::MsMs 135346 Specdb::MsMs 135347 Specdb::MsMs 2461528 Specdb::MsMs 2461529 Specdb::MsMs 2461530 Specdb::MsMs 2477627 Specdb::MsMs 2477628 Specdb::MsMs 2477629 Specdb::NmrOneD 139990 Specdb::NmrOneD 139991 Specdb::NmrOneD 139992 Specdb::NmrOneD 139993 Specdb::NmrOneD 139994 Specdb::NmrOneD 139995 Specdb::NmrOneD 139996 Specdb::NmrOneD 139997 Specdb::NmrOneD 139998 Specdb::NmrOneD 139999 Specdb::NmrOneD 140000 Specdb::NmrOneD 140001 Specdb::NmrOneD 140002 Specdb::NmrOneD 140003 Specdb::NmrOneD 140004 Specdb::NmrOneD 140005 Specdb::NmrOneD 140006 Specdb::NmrOneD 140007 Specdb::NmrOneD 140008 Specdb::NmrOneD 140009 HMDB37297 #<Reference:0x000055ce2dcfbf60> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Oat Type 1 specific Avena sativa 4498