1.0 2010-04-08 22:15:28 UTC 2025-11-19 02:35:32 UTC FDB021098 Vitexin 6''-(3-hydroxy-3-methylglutarate) Constituent of finger millet Eleusine coracana. Vitexin 6''-(3-hydroxy-3-methylglutarate) is found in cereals and cereal products. Vitexin 6''-(3-hydroxy-3-methylglutarate) Vitexin 6''-O-(3-hydroxy-3-methylglutarate) C27H28O14 576.5028 576.147905604 5-({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid 5-({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid 154639-29-9 CC(O)(CC(O)=O)CC(=O)OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=C(O)C=C1 InChI=1S/C27H28O14/c1-27(38,8-18(32)33)9-19(34)39-10-17-22(35)23(36)24(37)26(41-17)21-14(30)6-13(29)20-15(31)7-16(40-25(20)21)11-2-4-12(28)5-3-11/h2-7,17,22-24,26,28-30,35-38H,8-10H2,1H3,(H,32,33) FUKCNWJCRSRWIJ-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives C-glycosyl compounds Carbonyl compounds Carboxylic acid esters Carboxylic acids Chromones Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Tertiary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Chromone Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Tertiary alcohol Vinylogous acid logp 0.89 ALOGPS logs -2.83 ALOGPS solubility 8.55e-01 g/l ALOGPS logp -0.13 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid ChemAxon average_mass 576.5028 ChemAxon mono_mass 576.147905604 ChemAxon smiles CC(O)(CC(O)=O)CC(=O)OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=C(O)C=C1 ChemAxon formula C27H28O14 ChemAxon inchi InChI=1S/C27H28O14/c1-27(38,8-18(32)33)9-19(34)39-10-17-22(35)23(36)24(37)26(41-17)21-14(30)6-13(29)20-15(31)7-16(40-25(20)21)11-2-4-12(28)5-3-11/h2-7,17,22-24,26,28-30,35-38H,8-10H2,1H3,(H,32,33) ChemAxon inchikey FUKCNWJCRSRWIJ-UHFFFAOYSA-N ChemAxon polar_surface_area 240.74 ChemAxon refractivity 136.68 ChemAxon polarizability 55.42 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 45322 Specdb::NmrOneD 45323 Specdb::NmrOneD 45324 Specdb::NmrOneD 45325 Specdb::NmrOneD 45326 Specdb::NmrOneD 45327 Specdb::NmrOneD 45328 Specdb::NmrOneD 45329 Specdb::NmrOneD 45330 Specdb::NmrOneD 45331 Specdb::NmrOneD 45332 Specdb::NmrOneD 45333 Specdb::NmrOneD 45334 Specdb::NmrOneD 45335 Specdb::NmrOneD 45336 Specdb::NmrOneD 45337 Specdb::NmrOneD 45338 Specdb::NmrOneD 45339 Specdb::NmrOneD 45340 Specdb::NmrOneD 45341 Specdb::CMs 10058 Specdb::CMs 47172 Specdb::CMs 282436 Specdb::CMs 374808 Specdb::CMs 374809 Specdb::CMs 374810 Specdb::CMs 374811 Specdb::CMs 374812 Specdb::CMs 374813 Specdb::CMs 374814 Specdb::CMs 374815 Specdb::CMs 374816 Specdb::CMs 374817 Specdb::CMs 374818 Specdb::CMs 374819 Specdb::CMs 374820 Specdb::CMs 374821 Specdb::CMs 374822 Specdb::CMs 374823 Specdb::CMs 374824 Specdb::CMs 374825 Specdb::CMs 374826 Specdb::CMs 374827 Specdb::CMs 374828 Specdb::CMs 374829 Specdb::MsMs 288220 Specdb::MsMs 288221 Specdb::MsMs 288222 Specdb::MsMs 327265 Specdb::MsMs 327266 Specdb::MsMs 327267 Specdb::MsMs 2803980 Specdb::MsMs 2803981 Specdb::MsMs 2803982 Specdb::MsMs 2875052 Specdb::MsMs 2875053 Specdb::MsMs 2875054 HMDB41199 #<Reference:0x000055ce32551c38> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic