FL7AAAGL0043

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	175738-03-1
KEGG	{{{KEGG}}}
KNApSAcK	C00006782
CDX file
MOL file	FL7AAAGL0043.mol

Pelargonidin 3-(6"-p-coumaryl-2"'-sinapylsambubioside)-5-glucoside
Structural Information
Systematic Name	7-Hydroxy-2-(4-hydroxyphenyl)-5-[beta-D-glucopyranosyloxy]-3-[6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-2-O-[2-O-[(E)-3-(3,5-dimethoxy-4-hydroxyphenyl)propenoyl]-beta-D-xylopyranosyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
Common Name	Pelargonidin 3-(6"-p-coumaryl-2"'-sinapylsambubioside)-5-glucoside 7-Hydroxy-2-(4-hydroxyphenyl)-5-[beta-D-glucopyranosyloxy]-3-[6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-2-O-[2-O-[(E)-3-(3,5-dimethoxy-4-hydroxyphenyl)propenoyl]-beta-D-xylopyranosyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
Symbol
Formula	C52H55O25
Exact Mass	1079.3032423099999
Average Mass	1079.9780999999998
SMILES	c(c8)c(ccc8O)C=CC(OCC(C(O)5)OC(C(OC(O7)C(C(O)C(C7)O)OC(=O)C=Cc(c6)cc(c(O)c6OC)OC)C5O)Oc(c4)c([o+1]c(c42)cc(O)cc2OC(C3O)OC(CO)C(C(O)3)O)c(c1)ccc(c1)O)=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 Matthiola incana FL7AAAGL0043 See above. Saito_N et al. 1996