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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:44 UTC
Update Date2025-03-21 18:01:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00033095
Frequency109.9
Structure
Chemical FormulaC16H14O5
Molecular Mass286.0841
SMILESCOc1cc(O)c2c(c1)OCC(c1ccc(O)cc1)C2=O
InChI KeyOMMNHOXKLNHJFH-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-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • hydrocarbon derivatives
  • isoflavanols
  • isoflavanones
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • isoflavanone
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • isoflavan
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 7-methoxyisoflavonoid-skeleton
  • organooxygen compound
  • aryl ketone