FL7AACGL0076

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	176260-03-0
KEGG	{{{KEGG}}}
KNApSAcK	C00006852
CDX file
MOL file	FL7AACGL0076.mol

Cyanidin 3-(6",6"'-di-p-coumarylsophoroside)-5-(6-malonylglucoside)
Structural Information
Systematic Name	Cyanidin 3-(6",6"'-di-p-coumarylsophoroside)-5-(6-malonylglucoside)
Common Name	Cyanidin 3-(6",6"'-di-p-coumarylsophoroside)-5-(6-malonylglucoside)
Symbol
Formula	C54H55O28
Exact Mass	1151.287986176
Average Mass	1151.9977
SMILES	[C@@H]([C@H]8O)([C@@H](OC(COC(=O)CC(O)=O)[C@H](O)8)Oc(c1)c(c3)c([o+1]c(c(O[C@@H](C(O[C@@H](O6)[C@H](O)[C@@H]([C@@H](C(COC(=O)C=Cc(c7)ccc(c7)O)6)O)O)5)O[C@@H]([C@H](O)C5O)COC(=O)C=Cc(c4)ccc(O)c4)3)c(c2)cc(c(c2)O)O)cc1O)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 Ajuga reptans FL7AACGL0076 See above. Terahara_N et al. 1996