FL7AAAGL0023

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	170660-30-7
KEGG	{{{KEGG}}}
KNApSAcK	C00006762
CDX file
MOL file	FL7AAAGL0023.mol

Pelargonidin 3-glucoside-5-(6"-acetylglucoside)
Structural Information
Systematic Name	5-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-(beta-D-glucopyranosyloxy)-4',7-dihydroxyflavylium
Common Name	Pelargonidin 3-glucoside-5-(6"-acetylglucoside) 5-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-(beta-D-glucopyranosyloxy)-4',7-dihydroxyflavylium
Symbol
Formula	C29H33O16
Exact Mass	637.176860008
Average Mass	637.56272
SMILES	O[C@H]([C@H](O)5)C(O[C@H]([C@@H](O)5)Oc(c12)cc(cc([o+1]c(c(c4)ccc(O)c4)c(O[C@@H](C3O)O[C@@H]([C@@H](C3O)O)CO)c2)1)O)COC(C)=O
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 Pelargonium dolomiticum FL7AAAGL0023 See above. Mitchell_KA et al. 1998 Verbena x hybrida FL7AAAGL0023 See above. Toki_K et al. 1995