FLIAABGS0006

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	34232-17-2
KEGG	{{{KEGG}}}
KNApSAcK	C00010117
CDX file
MOL file	FLIAABGS0006.mol

Biochanin A 7-O-glucoside-6"-malonate
Structural Information
Systematic Name	3- (4-Methoxyphenyl) -5-hydroxy-7- [ 6-O- (1-oxo-2-carboxyethyl) -beta-D-glucopyranosyloxy ] -4H-1-benzopyran-4-one
Common Name	Biochanin A 7-O-glucoside-6"-malonate 3- (4-Methoxyphenyl) -5-hydroxy-7- [ 6-O- (1-oxo-2-carboxyethyl) -beta-D-glucopyranosyloxy ] -4H-1-benzopyran-4-one
Symbol
Formula	C25H24O13
Exact Mass	532.121690854
Average Mass	532.45026
SMILES	O=C(CC(O)=O)OCC([C@H](O)4)O[C@H]([C@H]([C@H]4O)O)Oc(c1)cc(O3)c(C(C(=C3)c(c2)ccc(OC)c2)=O)c1O
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 Trifolium spp. FLIAABGS0006 See above. Beck_AB et al. 1971 Trifolium spp. FLIAABGS0006 See above. Koester_J et al. 1983