FL5FACGS0076

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	197250-97-8
KEGG	{{{KEGG}}}
KNApSAcK	C00013848
CDX file
MOL file	FL5FACGS0076.mol

Quercetin 3-glucosyl- (1->2) -galactosyl- (1->2) -glucoside
Structural Information
Systematic Name	3- [ (O-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-glucosyl- (1->2) -galactosyl- (1->2) -glucoside 3- [ (O-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	C33H40O22
Exact Mass	788.201122964
Average Mass	788.6575
SMILES	O(C1OC(C(O)6)C(OC(C6O)CO)OC(=C(c(c5)ccc(O)c5O)3)C(=O)c(c4O)c(cc(O)c4)O3)C(CO)C(O)C(C(OC(O2)C(O)C(O)C(O)C2CO)1)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 FL5FACGS0076 See above. Merfort_I et al. 1997