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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:47 UTC
Update Date2025-03-25 00:47:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159710
Frequency0.5
Structure
Chemical FormulaC16H9F3O4
Molecular Mass322.0453
SMILESO=c1c(-c2ccc(C(F)(F)F)cc2)coc2c(O)c(O)ccc12
InChI KeyFEGBEJXAMVWAFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflav-2-enes
Direct Parent isoflavones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl fluorides
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • trifluoromethylbenzenes
    • Substituents
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • alkyl halide
  • trifluoromethylbenzene
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • pyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound