FL7AACGL0115

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	215176-96-8
KEGG	{{{KEGG}}}
KNApSAcK	C00014776
CDX file
MOL file	FL7AACGL0115.mol

Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside
Structural Information
Systematic Name	Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside
Common Name	Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside
Symbol
Formula	C45H49O27
Exact Mass	1021.2461213619999
Average Mass	1021.8543599999999
SMILES	Oc(c1O)cc(C=CC(OCC(O2)C(O)C(O)C(O)C2Oc(c7)cc(O)c(c57)cc(OC(O6)C(O)C(C(C6COC(=O)CC(O)=O)O)O)c([o+1]5)c(c3)ccc(c3OC(C(O)4)OC(C(C4O)O)CO)O)=O)cc1
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 Sophronitis coccinea FL7AACGL0115 See above. Tatsuzawa_F et al. 1998