1.0 2010-04-08 22:05:04 UTC 2019-11-26 02:56:38 UTC FDB001702 Isovitexin 7-(6'''-(E)-p-feruloylglucoside) Isovitexin 7-(6'''-(e)-p-feruloylglucoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isovitexin 7-(6'''-(e)-p-feruloylglucoside) can be found in barley, which makes isovitexin 7-(6'''-(e)-p-feruloylglucoside) a potential biomarker for the consumption of this food product. 6'''-Feruloylsaponarin Isovitexin 7-(6'''-(E)-p-feruloylglucoside) Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside C37H38O18 770.6868 770.205814412 [(2R,3S,4S,5R)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate [(2R,3S,4S,5R)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 212271-12-0 COC1=CC(\C=C\C(=O)OC[C@H]2OC(OC3=CC4=C(C(=O)C=C(O4)C4=CC=C(O)C=C4)C(O)=C3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O InChI=1S/C37H38O18/c1-50-21-10-15(2-8-18(21)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-20(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1 QPRAHMMZLWQOGS-IZJKNMPVSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles C-glycosyl compounds Carbonyl compounds Chromones Cinnamic acid esters Coumaric acids and derivatives Dialkyl ethers Enoate esters Fatty acid esters Flavones Flavonoid C-glycosides Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Dialkyl ether Enoate ester Ether Fatty acid ester Fatty acyl Flavone Flavonoid c-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 1.11 ALOGPS logs -3.16 ALOGPS solubility 5.36e-01 g/l ALOGPS logp 0.25 ChemAxon pka_strongest_acidic 7.99 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [(2R,3S,4S,5R)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 770.6868 ChemAxon mono_mass 770.205814412 ChemAxon smiles COC1=CC(\C=C\C(=O)OC[C@H]2OC(OC3=CC4=C(C(=O)C=C(O4)C4=CC=C(O)C=C4)C(O)=C3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O ChemAxon formula C37H38O18 ChemAxon inchi InChI=1S/C37H38O18/c1-50-21-10-15(2-8-18(21)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-20(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1 ChemAxon inchikey QPRAHMMZLWQOGS-IZJKNMPVSA-N ChemAxon polar_surface_area 291.82 ChemAxon refractivity 186.19 ChemAxon polarizability 73.83 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 17 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71940 Specdb::MsMs 71941 Specdb::MsMs 71942 Specdb::MsMs 130722 Specdb::MsMs 130723 Specdb::MsMs 130724 Specdb::MsMs 3598157 Specdb::MsMs 3598158 Specdb::MsMs 3598159 Specdb::MsMs 3598160 Specdb::MsMs 3598161 Specdb::MsMs 3598162 Barley Type 1 specific Hordeum vulgare 4513