FL7AADGL0022

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Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAD Peonidin (38 pages) :  FL7AADGL Anthocyanin (3-Glucoside related) (28 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	140447-88-7
KEGG	{{{KEGG}}}
KNApSAcK	C00006870
CDX file
MOL file	FL7AADGL0022.mol

Peonidin 3- (6"-caffeylsophoroside) -5-glucoside
Structural Information
Systematic Name	3- [ [ 2-O-beta-D-Glucopyranosyl-6-O- [ 3- (3,4-dihydroxyphenyl) acryloyl ] -alpha-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-2- (3-methoxy-4-hydroxyphenyl) -1-benzopyrylium
Common Name	Peonidin 3- (6"-caffeylsophoroside) -5-glucoside 3- [ [ 2-O-beta-D-Glucopyranosyl-6-O- [ 3- (3,4-dihydroxyphenyl) acryloyl ] -alpha-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-2- (3-methoxy-4-hydroxyphenyl) -1-benzopyrylium
Symbol
Formula	C43H49O24
Exact Mass	949.261377496
Average Mass	949.83476
SMILES	c(c1)(c([o+1]2)c(O[C@@H](C(O[C@H]([C@H](O)7)OC([C@H]([C@H]7O)O)CO)5)O[C@H](COC(=O)C=Cc(c6)ccc(c6O)O)[C@H](O)C(O)5)cc(c3O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)c(cc(c3)O)2)ccc(O)c1OC
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 Ipomoea nil FL7AADGL0022 See above. Lu_TS et al. 1992 Ipomoea nil FL7AADGL0022 See above. Pomilio_AB et al. 1972