FL2FQUNN0001

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	70815-31-5
KEGG	{{{KEGG}}}
KNApSAcK	C00008375
CDX file
MOL file	FL2FQUNN0001.mol

Silymonin
Structural Information
Systematic Name	3,6-Methanobenzofuran-7 (6H) -one,4- (3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl) -2,3,3a,7a-tetrahydro-7a-hydroxy-8- (4-hydroxy-3-methoxyphenyl) -, (3R- (3alpha,3abeta,4 (S*) ,6alpha,7abeta,8R*) ) -
Common Name	Silymonin 3,6-Methanobenzofuran-7 (6H) -one,4- (3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl) -2,3,3a,7a-tetrahydro-7a-hydroxy-8- (4-hydroxy-3-methoxyphenyl) -, (3R- (3alpha,3abeta,4 (S*) ,6alpha,7abeta,8R*) ) -
Symbol
Formula	C25H22O9
Exact Mass	466.126382302
Average Mass	466.43678
SMILES	C(C63)(C5(O)OC6)C=C(C(C(=O)5)C(c(c4)cc(OC)c(c4)O)3)C(O1)CC(=O)c(c2O)c(cc(c2)O)1
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 FL2FQUNN0001 See above. Szilagi_I et al. 1981 Silybum marianum FL2FQUNN0001 See above. Szilagyi_I et al. 1978