FL5FACGS0109

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	219745-03-6
KEGG	{{{KEGG}}}
KNApSAcK	C00013881
CDX file
MOL file	FL5FACGS0109.mol

Quercetin 3- (2"-caffeoylglucoside) - (1->2) - (6"-malonylglucoside)
Structural Information
Systematic Name	3- [ [ 6-O- (Carboxyacetyl) -2-O- [ 2-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
Common Name	Quercetin 3- (2"-caffeoylglucoside) - (1->2) - (6"-malonylglucoside) 3- [ [ 6-O- (Carboxyacetyl) -2-O- [ 2-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C39H38O23
Exact Mass	874.180387522
Average Mass	874.70522
SMILES	c(c1O)c(O)c(C(=O)2)c(OC(c(c6)cc(c(O)c6)O)=C2OC(O5)C(C(O)C(O)C(COC(=O)CC(O)=O)5)OC(O4)C(C(C(C4CO)O)O)OC(=O)C=Cc(c3)cc(O)c(O)c3)c1
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 Petunia hybrida cv. Mitchell FL5FACGS0109 See above. Bloor_SJ et al. 1998