FL5FACGS0112

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

Upper classes : FL Flavonoid : FL5 Flavonol :  FL5FAC Quercetin (289 pages) :  FL5FACGS O-Glycoside (Without 3-glycoside and 3-galactoside related) (126 pages) :  FL5FACGS0 Normal (121 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	197294-29-4
KEGG	{{{KEGG}}}
KNApSAcK	C00013884
CDX file
MOL file	FL5FACGS0112.mol

Quercetin 3- (6""-feruloylglucosyl) - (1->2) -galactosyl- (1->2) -glucoside
Structural Information
Systematic Name	3- [ [ O-6-O- [ (2E) -3- (4-Hydroxy-3-methoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl- (1->2) -O-beta-D-galactopyranosyl- (1->2) -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
Common Name	Quercetin 3- (6""-feruloylglucosyl) - (1->2) -galactosyl- (1->2) -glucoside 3- [ [ O-6-O- [ (2E) -3- (4-Hydroxy-3-methoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl- (1->2) -O-beta-D-galactopyranosyl- (1->2) -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C43H48O25
Exact Mass	964.2484670859999
Average Mass	964.82622
SMILES	c(c1C=CC(=O)OCC(C2O)OC(OC(C3OC(C4O)C(OC(C(=O)5)=C(c(c7)cc(c(c7)O)O)Oc(c6)c5c(O)cc(O)6)OC(C4O)CO)C(O)C(O)C(O3)CO)C(O)C2O)c(OC)c(cc1)O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Nigella sativa FL5FACGS0112 See above. Merfort_I et al. 1997