FL7AAAGL0063

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Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAA Pelargonidin (96 pages) :  FL7AAAGL Anthocyanin (3-Glucoside related) (75 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	448963-07-3
KEGG	{{{KEGG}}}
KNApSAcK	C00014839
CDX file
MOL file	FL7AAAGL0063.mol

Pelargonidin 3- (2- (6-caffeylglucosyl) -6-ferulylglucoside) -5-glucoside
Structural Information
Systematic Name	3,5,7,4'-Tetrahydroxyflavylium 3- (2- (6-caffeylglucosyl) -6-ferulylglucoside) -5-glucoside
Common Name	Pelargonidin 3- (2- (6-caffeylglucosyl) -6-ferulylglucoside) -5-glucoside Pelargonidin 3-O- [ 2-O- (6- (E) -caffeoyl-beta-D-glucopyranosyl) -6-O- (E) -feruloyl-beta-D-glucopyranoside ] -5-O- (beta-D-glucopyranoside) 3,5,7,4'-Tetrahydroxyflavylium 3- (2- (6-caffeylglucosyl) -6-ferulylglucoside) -5-glucoside
Symbol
Formula	C52H55O26
Exact Mass	1095.298156932
Average Mass	1095.9775
SMILES	C(=CC(=O)OCC(O2)C(C(O)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(c8)O)O)C(C7O)O)C2Oc(c5c(c6)ccc(c6)O)cc(c3[o+1]5)c(OC(C4O)OC(C(C(O)4)O)CO)cc(c3)O)O)c(c1)ccc(O)c(OC)1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
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UV Spectra
IR Spectra
NMR Spectra
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Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Raphanus sativus FL7AAAGL0063 See above. Otsuki_T et al. 2002