1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:03 UTC FDB010737 Osmaronin Constituent of the leaves of Hordeum vulgare (barley). Osmaronin is found in barley and cereals and cereal products. Osmaronin C11H17NO6 259.2558 259.105587281 (2E)-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile (2E)-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile 160551-60-0 C\C(COC1OC(CO)C(O)C(O)C1O)=C/C#N InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2+ DAVUWBZDLSJMFA-QHHAFSJGSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Hexoses Hydrocarbon derivatives Nitriles O-glycosyl compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonitrile Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide Nitrile O-glycosyl compound Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -1.01 ALOGPS logs -0.80 ALOGPS solubility 4.13e+01 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2E)-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile ChemAxon average_mass 259.2558 ChemAxon mono_mass 259.105587281 ChemAxon smiles C\C(COC1OC(CO)C(O)C(O)C1O)=C/C#N ChemAxon formula C11H17NO6 ChemAxon inchi InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2+ ChemAxon inchikey DAVUWBZDLSJMFA-QHHAFSJGSA-N ChemAxon polar_surface_area 123.17 ChemAxon refractivity 60.41 ChemAxon polarizability 25.63 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17144 Specdb::CMs 42954 Specdb::CMs 134038 Specdb::CMs 141772 Specdb::MsMs 80460 Specdb::MsMs 80461 Specdb::MsMs 80462 Specdb::MsMs 141342 Specdb::MsMs 141343 Specdb::MsMs 141344 Specdb::MsMs 2712806 Specdb::MsMs 2712807 Specdb::MsMs 2712808 Specdb::MsMs 2965701 Specdb::MsMs 2965702 Specdb::MsMs 2965703 Specdb::NmrOneD 115098 Specdb::NmrOneD 115099 Specdb::NmrOneD 115100 Specdb::NmrOneD 115101 Specdb::NmrOneD 115102 Specdb::NmrOneD 115103 Specdb::NmrOneD 115104 Specdb::NmrOneD 115105 Specdb::NmrOneD 115106 Specdb::NmrOneD 115107 Specdb::NmrOneD 115108 Specdb::NmrOneD 115109 Specdb::NmrOneD 115110 Specdb::NmrOneD 115111 Specdb::NmrOneD 115112 Specdb::NmrOneD 115113 Specdb::NmrOneD 115114 Specdb::NmrOneD 115115 Specdb::NmrOneD 115116 Specdb::NmrOneD 115117 HMDB32769 #<Reference:0x000055ce316c9350> Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic