FL7AFAGL0001

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Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	753008-64-9
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	FL7AFAGL0001.mol

Catechin (4alpha-8) peralgonidin 3-O-beta-glucopyranoside
Structural Information
Systematic Name	8- [ (2R,3S,4S) -2- (3,4-Dihydroxyphenyl) -3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl] -3- (beta-D-glucopyranosyloxy) -5,7-dihydroxy-2- (4-hydroxyphenyl) -1-benzopyrylium
Common Name	Catechin (4alpha-8) peralgonidin 3-O-beta-glucopyranoside 2- (4-Hydroxyphenyl) -3- (beta-D-glucopyranosyloxy) -5,7-dihydroxy-8- [ [ (2R) -2alpha- (3,4-dihydroxyphenyl) -3beta,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran] -4alpha-yl] -1-benzopyrylium
Symbol
Formula	C36H33O16
Exact Mass	721.176860008
Average Mass	721.63762
SMILES	c(c7)c(ccc(O)7)c([o+1]1)c(OC(O6)C(C(C(C6CO)O)O)O)cc(c(O)2)c(c(C(C4([H])O)([H])c(c(OC4(c(c5)cc(O)c(c5)O)[H])3)c(cc(O)c3)O)c(c2)O)1
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 Fragaria ananassa FL7AFAGL0001 See above. Fossen_T et al. 2004