FL5FACGS0117

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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	247576-99-4
KEGG	{{{KEGG}}}
KNApSAcK	C00013889
CDX file
MOL file	FL5FACGS0117.mol

Quercetin 3-sophoroside-7- (6"- (E) -caffeoylglucoside)
Structural Information
Systematic Name	2- (3,4-Dihydroxyphenyl) -7- [ [ 6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -3- [ (2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) oxy ] -5-hydroxy-4H-1-benzopyran-4-one
Common Name	Quercetin 3-sophoroside-7- (6"- (E) -caffeoylglucoside) 2- (3,4-Dihydroxyphenyl) -7- [ [ 6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -3- [ (2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) oxy ] -5-hydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C42H46O25
Exact Mass	950.2328170220001
Average Mass	950.79964
SMILES	Oc(c1)c(O)ccc1C(O4)=C(C(=O)c(c(O)5)c(cc(OC(O6)C(C(O)C(O)C(COC(=O)C=Cc(c7)cc(O)c(O)c7)6)O)c5)4)OC(O3)C(C(C(C(CO)3)O)O)OC(C2O)OC(C(C2O)O)CO
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
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Chromatograms

Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Symplocarpus renifolius FL5FACGS0117 See above. Whang_WK et al. 1999