FLIE1CNI0002

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Upper classes : FL Flavonoid : FLI Isoflavonoid : FLIE Coumestan :  FLIE1C 3,8,9-Trihydroxycoumestan O-methyl derivatives (7 pages) :  FLIE1CNI Non-cyclic prenyl substituted (2 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	114865-44-0
KEGG	{{{KEGG}}}
KNApSAcK	C00010056
CDX file
MOL file	FLIE1CNI0002.mol

Mirificoumestan hydrate
Structural Information
Systematic Name	3,9-Dihydroxy-8-methoxy-7- (3-hydroxy-3-methylbutyl) coumestan
Common Name	Mirificoumestan hydrate 3,9-Dihydroxy-8-methoxy-7- (3-hydroxy-3-methylbutyl) coumestan
Symbol
Formula	C21H20O7
Exact Mass	384.120902994
Average Mass	384.37929999999994
SMILES	C(C)(C)(O)CCc(c(OC)4)c(c3cc4O)c(C(=O)1)c(o3)c(c2)c(cc(O)c2)O1
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 Pueraria mirifica FLIE1CNI0002 See above. Ingham_JL et al. 1988