FL5FACGSS005

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	754176-91-5
KEGG	{{{KEGG}}}
KNApSAcK	C00013898
CDX file
MOL file	FL5FACGSS005.mol

Quercetin 3-glucoside-3'-sulfate
Structural Information
Systematic Name	Quercetin 3-glucoside-3'-sulfate
Common Name	Quercetin 3-glucoside-3'-sulfate 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-one
Symbol
Formula	C21H20O15S
Exact Mass	544.0522906599999
Average Mass	544.4404999999999
SMILES	O(C(=C3c(c4)cc(c(c4)O)OS(O)(=O)=O)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C(O)C1O
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 Centaurea bracteata FL5FACGSS005 See above. Flamini_G et al. 2001