Met003956: BIOCHANIN A, DIMETHYL ETHER

  Metabolite Information

Name
BIOCHANIN A, DIMETHYL ETHER
IUPAC Name
5,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
Molecular Formula
C18H16O5
Molecular Weight
312.3
Exact Mass
312.0997736
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC)OC
InChIKey
PVVORTURQPBPEQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-16-9-13(21-2)8-15(22-3)17(16)18(14)19/h4-10H,1-3H3
Other Databases Link
PubChem:136420

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Phenylpropanoids and polyketides
        Class: Isoflavonoids
            Subclass: O-methylated isoflavonoids

  Crops containing this metabolite

medicago

  Metabolite Spectrum Accession Label

MED03085p