FL4DACNN0003

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	72581-71-6
KEGG	{{{KEGG}}}
KNApSAcK	C00008662
CDX file
MOL file	FL4DACNN0003.mol

Isosilybin
Structural Information
Systematic Name	2- [ [ 2,3-Dihydro-2- (4-hydroxy-3-methoxyphenyl) -3- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
Common Name	Isosilybin 2- [ [ 2,3-Dihydro-2- (4-hydroxy-3-methoxyphenyl) -3- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C25H22O10
Exact Mass	482.121296924
Average Mass	482.43618000000004
SMILES	c(c1)(c(cc(C(O2)C(Oc(c3)c2ccc([C@H]([C@@H](O)5)Oc(c4C5=O)cc(O)cc4O)3)CO)c1)OC)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 Silybum marianum FL4DACNN0003 See above. Arnone_A et al. 1979