1.0 2010-04-08 22:04:33 UTC 2020-02-24 19:10:07 UTC FDB000405 Blepharin Glycoside from seedlings of rye and sweet corn (Zea mays). Blepharin is found in cereals and cereal products, fats and oils, and corn. (+)-Blepharin Blepharin HBOA-Glc C14H17NO8 327.2867 327.095416525 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydro-1,4-benzoxazin-3-one 27625-86-1 OCC1OC(OC2OC3=CC=CC=C3NC2=O)C(O)C(O)C1O InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20) PYQSUTLVBSTCSK-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 Acetals Azacyclic compounds Benzenoids Benzoxazines Cyclic carboximidic acids Hexoses Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Acetal Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoxazine Cyclic carboximidic acid Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic 1,3-dipolar compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Secondary alcohol logp -1.24 ALOGPS logs -0.62 ALOGPS solubility 7.93e+01 g/l ALOGPS melting_point Mp 226-227° logp -1.3 ChemAxon pka_strongest_acidic 10.8 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon average_mass 327.2867 ChemAxon mono_mass 327.095416525 ChemAxon smiles OCC1OC(OC2OC3=CC=CC=C3NC2=O)C(O)C(O)C1O ChemAxon formula C14H17NO8 ChemAxon inchi InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20) ChemAxon inchikey PYQSUTLVBSTCSK-UHFFFAOYSA-N ChemAxon polar_surface_area 137.71 ChemAxon refractivity 74.44 ChemAxon polarizability 31.03 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24412 Specdb::CMs 41290 Specdb::CMs 156654 Specdb::NmrOneD 157610 Specdb::NmrOneD 157611 Specdb::NmrOneD 157612 Specdb::NmrOneD 157613 Specdb::NmrOneD 157614 Specdb::NmrOneD 157615 Specdb::NmrOneD 157616 Specdb::NmrOneD 157617 Specdb::NmrOneD 157618 Specdb::NmrOneD 157619 Specdb::NmrOneD 157620 Specdb::NmrOneD 157621 Specdb::NmrOneD 157622 Specdb::NmrOneD 157623 Specdb::NmrOneD 157624 Specdb::NmrOneD 157625 Specdb::NmrOneD 157626 Specdb::NmrOneD 157627 Specdb::NmrOneD 157628 Specdb::NmrOneD 157629 Specdb::MsMs 8381 Specdb::MsMs 8382 Specdb::MsMs 8383 Specdb::MsMs 15053 Specdb::MsMs 15054 Specdb::MsMs 15055 Specdb::MsMs 2230638 Specdb::MsMs 2397663 Specdb::MsMs 2397664 Specdb::MsMs 2397665 Specdb::MsMs 2541488 Specdb::MsMs 2541489 Specdb::MsMs 2541490 HMDB29344 #<Reference:0x000056127354f1d8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Corn Type 1 specific Zea mays 4577 Fats and oils Unknown generic