FL5FACGS0105

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	365544-18-9
KEGG	{{{KEGG}}}
KNApSAcK	C00013877
CDX file
MOL file	FL5FACGS0105.mol

Quercetin 3- (6"-caffeoylsophoroside)
Structural Information
Systematic Name	2- (3,4-Dihydroxyphenyl) -3- [ [ 6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ] oxy ] -5,7-dihydroxy-4H-1-benzopyran-4-one
Common Name	Quercetin 3- (6"-caffeoylsophoroside) 2- (3,4-Dihydroxyphenyl) -3- [ [ 6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ] oxy ] -5,7-dihydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C36H36O20
Exact Mass	788.179993592
Average Mass	788.65904
SMILES	c(c6O)(cc(cc6)C(O5)=C(C(=O)c(c54)c(cc(c4)O)O)OC(C(OC(C(O)3)OC(CO)C(O)C(O)3)2)OC(C(O)C2O)COC(C=Cc(c1)cc(O)c(O)c1)=O)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 Bassia muricata FL5FACGS0105 See above. Kamel_MS et al. 2001