FL5FACGS0120

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	352639-77-1
KEGG	{{{KEGG}}}
KNApSAcK	C00013892
CDX file
MOL file	FL5FACGS0120.mol

2- [ 4- (beta-D-Glucopyranosyloxy) -3- [ [ 6-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] phenyl ] -5,7-dihydroxy-3- [ [ 2-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one
Structural Information
Systematic Name	2- [ 4- (beta-D-Glucopyranosyloxy) -3- [ [ 6-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] phenyl ] -5,7-dihydroxy-3- [ [ 2-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one
Common Name	2- [ 4- (beta-D-Glucopyranosyloxy) -3- [ [ 6-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] phenyl ] -5,7-dihydroxy-3- [ [ 2-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one Quercetin 3- (2"-sinapoylglucoside) -3'- (6"-sinapoylglucoside) -4'-glucoside
Symbol
Formula	C55H60O30
Exact Mass	1200.31694058
Average Mass	1201.0468999999998
SMILES	C(=O)(OC(C(OC(=C4c(c5)ccc(OC(C(O)8)OC(C(O)C(O)8)CO)c5OC(C7O)OC(C(C7O)O)COC(C=Cc(c6)cc(OC)c(O)c(OC)6)=O)C(c(c(O)3)c(O4)cc(O)c3)=O)2)C(C(C(O2)CO)O)O)C=Cc(c1)cc(OC)c(c1OC)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 Eruca sativa FL5FACGS0120 See above. Weckerle_B et al. 2001