FL4DACNN0001

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	22888-70-6
KEGG	{{{KEGG}}}
KNApSAcK	C00001003
CDX file
MOL file	FL4DACNN0001.mol

Silybin
Structural Information
Systematic Name	(2R) -2alpha- [ [ (2R,3R) -2,3-Dihydro-3beta- (4-hydroxy-3-methoxyphenyl) -2alpha- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one
Common Name	Silybin (2R) -2alpha- [ [ (2R,3R) -2,3-Dihydro-3beta- (4-hydroxy-3-methoxyphenyl) -2alpha- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C25H22O10
Exact Mass	482.121296924
Average Mass	482.43618000000004
SMILES	O([C@]([H])(c(c5)cc(O3)c(c5)O[C@](CO)([C@]3(c(c4)cc(c(c4)O)OC)[H])[H])2)c(c(C(=O)[C@]2([H])O)1)cc(O)cc1O
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 FL4DACNN0001 See above. Szilagyi_I et al. 1978