FL3FACDS0020

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	80749-68-4
KEGG	{{{KEGG}}}
KNApSAcK	C00006341
CDX file
MOL file	FL3FACDS0020.mol

Isoorientin 4'-O-glucoside-2"-(4-glucosyloxy-2,5-dihydroxycinnamante)
Structural Information
Systematic Name	5,7,3',4'-Tetrahydroxyflavone 6-C-[4-glucosyloxy-2,5-dihydroxycinnamoyl-(->2)-glucoside]-4'-O-glucoside
Common Name	Isoorientin 4'-O-glucoside-2"-(4-glucosyloxy-2,5-dihydroxycinnamante)
Symbol
Formula	C42H46O25
Exact Mass	950.2328170220001
Average Mass	950.79964
SMILES	c(c45)(c(c(O)cc4OC(c(c7)cc(c(c7)OC(O6)C(C(O)C(O)C6CO)O)O)=CC5=O)C(O1)C(OC(=O)C=Cc(c2O)cc(c(OC(O3)C(C(O)C(C3CO)O)O)c2)O)C(C(C(CO)1)O)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 Gentiana punctata FL3FACDS0020 See above. Luong_MD et al. 1981