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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:50 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249005
Frequency0.5
Structure
Chemical FormulaC17H18O4
Molecular Mass286.1205
SMILESCOc1ccc2c(c1)OCC(c1ccc(O)cc1)C2CO
InChI KeyMRXWDHQBARSXOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass o-methylated isoflavonoids
Direct Parent 7-o-methylated isoflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • isoflavanols
  • oxacyclic compounds
  • primary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • chromane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • isoflavan
  • benzopyran
  • oxacycle
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 7-methoxyisoflavonoid-skeleton
  • organooxygen compound