1.0 2010-04-08 22:12:20 UTC 2019-11-26 03:12:59 UTC FDB016279 (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside Isolated from sweet corn (Zea mays). (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in cereals and cereal products and fats and oils. (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-O-b-D-glucopyranoside 8-Methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline C16H21NO10 387.3386 387.116545897 7,8-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one 7,8-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydro-1,4-benzoxazin-3-one 40246-09-1 COC1=CC=C2NC(=O)C(OC3OC(CO)C(O)C(O)C3O)OC2=C1OC InChI=1S/C16H21NO10/c1-23-7-4-3-6-12(13(7)24-2)26-16(14(22)17-6)27-15-11(21)10(20)9(19)8(5-18)25-15/h3-4,8-11,15-16,18-21H,5H2,1-2H3,(H,17,22) VKCKUXJIUMKEJF-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 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 Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoxazine Cyclic carboximidic acid Ether 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 -0.93 ALOGPS logs -1.31 ALOGPS solubility 1.89e+01 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 10.85 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7,8-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon average_mass 387.3386 ChemAxon mono_mass 387.116545897 ChemAxon smiles COC1=CC=C2NC(=O)C(OC3OC(CO)C(O)C(O)C3O)OC2=C1OC ChemAxon formula C16H21NO10 ChemAxon inchi InChI=1S/C16H21NO10/c1-23-7-4-3-6-12(13(7)24-2)26-16(14(22)17-6)27-15-11(21)10(20)9(19)8(5-18)25-15/h3-4,8-11,15-16,18-21H,5H2,1-2H3,(H,17,22) ChemAxon inchikey VKCKUXJIUMKEJF-UHFFFAOYSA-N ChemAxon polar_surface_area 156.17 ChemAxon refractivity 87.36 ChemAxon polarizability 36.8 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19118 Specdb::CMs 45291 Specdb::CMs 134292 Specdb::CMs 142026 Specdb::NmrOneD 139750 Specdb::NmrOneD 139751 Specdb::NmrOneD 139752 Specdb::NmrOneD 139753 Specdb::NmrOneD 139754 Specdb::NmrOneD 139755 Specdb::NmrOneD 139756 Specdb::NmrOneD 139757 Specdb::NmrOneD 139758 Specdb::NmrOneD 139759 Specdb::NmrOneD 139760 Specdb::NmrOneD 139761 Specdb::NmrOneD 139762 Specdb::NmrOneD 139763 Specdb::NmrOneD 139764 Specdb::NmrOneD 139765 Specdb::NmrOneD 139766 Specdb::NmrOneD 139767 Specdb::NmrOneD 139768 Specdb::NmrOneD 139769 Specdb::MsMs 61080 Specdb::MsMs 61081 Specdb::MsMs 61082 Specdb::MsMs 117549 Specdb::MsMs 117550 Specdb::MsMs 117551 Specdb::MsMs 2409544 Specdb::MsMs 2409545 Specdb::MsMs 2409546 Specdb::MsMs 2553679 Specdb::MsMs 2553680 Specdb::MsMs 2553681 HMDB37262 #<Reference:0x000055ce324e5a10> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic