FL7AAAGL0058

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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	776278-54-7
KEGG	{{{KEGG}}}
KNApSAcK	C00014834
CDX file
MOL file	FL7AAAGL0058.mol

Ipomoea Red anthocyanin 4
Structural Information
Systematic Name	3,5,7,4'-Tetrahydroxyflavylium 3- (2- (6-caffeylglucosyl) -6-caffeylglucoside) -5-glucoside
Common Name	Ipomoea Red anthocyanin 4 Pelargonidin 3- (2- (6-caffeylglucosyl) -6-caffeylglucoside) -5-glucoside Pelargonidin 3-O- [ 2-O- (6- (E) -caffeoyl-beta-D-glucopyranosyl) -6-O- (E) -caffeoyl-beta-D-glucopyranoside ] -5-O- (beta-D-glucopyranoside) 3,5,7,4'-Tetrahydroxyflavylium 3- (2- (6-caffeylglucosyl) -6-caffeylglucoside) -5-glucoside
Symbol
Formula	C51H53O26
Exact Mass	1081.282506868
Average Mass	1081.95092
SMILES	O(CC(O2)C(O)C(O)C(C(OC(C(Oc(c7)c(c(c8)ccc(c8)O)[o+1]c(c75)cc(O)cc5OC(O6)C(O)C(C(O)C6CO)O)3)C(O)C(C(COC(C=Cc(c4)cc(O)c(c4)O)=O)O3)O)2)O)C(=O)C=Cc(c1)ccc(O)c(O)1
Physicochemical Information
Melting Point
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Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
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IR Spectra
NMR Spectra
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Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Raphanus sativus FL7AAAGL0058 See above. Otsuki_T et al. 2002 Ipomoea purpurea FL7AAAGL0058 See above. Saito_N et al. 1996