Mid014649: Coumestrol dimethyl ether

  Metabolite Information

Name
Coumestrol dimethyl ether
IUPAC Name
3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
Molecular Formula
C17H12O5
Molecular Weight
296.27
Exact Mass
296.0684735
SMILES
COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)OC)OC3=O
InChIKey
PXHLPCBBXPHBHP-UHFFFAOYSA-N
InChI
InChI=1S/C17H12O5/c1-19-9-3-5-11-13(7-9)21-16-12-6-4-10(20-2)8-14(12)22-17(18)15(11)16/h3-8H,1-2H3
Other Databases Link
CID_2785731
knapsack_C00009761

  Structure

  2D Structure
  3D Conformer

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Phenylpropanoids and polyketides
        Class: Isoflavonoids
            Subclass: Coumestans

  Species containing this metabolite

Achyranthes aspera Amorpha fruticosa Indigofera bungeana

  Metabolite Spectrum Accession Label

AASP00666p AFRU01031p IBUN01507p