1.0 2010-04-08 22:04:45 UTC 2020-02-24 19:10:16 UTC FDB000904 (R)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside Isolated from sweet corn (Zea mays). (R)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in many foods, some of which are corn, fats and oils, common wheat, and cereals and cereal products. (R)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside (R)-N-Hydroxy-2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-O-b-D-glucopyranoside DIMBOA-Glc C15H19NO10 373.3121 373.100895833 4-hydroxy-7-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one 4-hydroxy-7-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,4-benzoxazin-3-one 113565-32-5 COC1=CC2=C(C=C1)N(O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)O2 InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3 WTGXAWKVZMQEDA-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 Alkyl aryl ethers Anisoles Azacyclic compounds Benzomorpholines Benzoxazinones Carbonyl compounds Hexoses Hydrocarbon derivatives Hydroxamic acids Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzomorpholine Benzoxazine Benzoxazinone Carbonyl group Carboxylic acid derivative Ether Hexose monosaccharide Hydrocarbon derivative Hydroxamic acid Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Oxazinane Polyol Primary alcohol Secondary alcohol a glucoside an indole derivative logp -1.16 ALOGPS logs -1.31 ALOGPS solubility 1.84e+01 g/l ALOGPS melting_point Mp 262-263° dec. logp -1.8 ChemAxon pka_strongest_acidic 7.85 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-hydroxy-7-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon average_mass 373.3121 ChemAxon mono_mass 373.100895833 ChemAxon smiles COC1=CC2=C(C=C1)N(O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)O2 ChemAxon formula C15H19NO10 ChemAxon inchi InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3 ChemAxon inchikey WTGXAWKVZMQEDA-UHFFFAOYSA-N ChemAxon polar_surface_area 158.38 ChemAxon refractivity 80.88 ChemAxon polarizability 34.72 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15617 Specdb::CMs 41523 Specdb::CMs 172746 Specdb::NmrOneD 16062 Specdb::NmrOneD 16063 Specdb::NmrOneD 16064 Specdb::NmrOneD 16065 Specdb::NmrOneD 16066 Specdb::NmrOneD 16067 Specdb::NmrOneD 16068 Specdb::NmrOneD 16069 Specdb::NmrOneD 16070 Specdb::NmrOneD 16071 Specdb::NmrOneD 16072 Specdb::NmrOneD 16073 Specdb::NmrOneD 16074 Specdb::NmrOneD 16075 Specdb::NmrOneD 16076 Specdb::NmrOneD 16077 Specdb::NmrOneD 16078 Specdb::NmrOneD 16079 Specdb::NmrOneD 16080 Specdb::NmrOneD 16081 Specdb::MsMs 105480 Specdb::MsMs 105481 Specdb::MsMs 105482 Specdb::MsMs 171972 Specdb::MsMs 171973 Specdb::MsMs 171974 Specdb::MsMs 2227285 Specdb::MsMs 2227446 Specdb::MsMs 2229610 Specdb::MsMs 2229848 Specdb::MsMs 2459062 Specdb::MsMs 2459063 Specdb::MsMs 2459064 Specdb::MsMs 2477000 Specdb::MsMs 2477001 Specdb::MsMs 2477002 HMDB29710 #<Reference:0x000055ce31c88e58> #<Reference:0x000055ce31c88c50> #<Reference:0x000055ce31c88a70> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Fats and oils Unknown generic