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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:37 UTC
Update Date2025-03-25 01:01:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248519
Frequency0.5
Structure
Chemical FormulaC21H11F2NO2
Molecular Mass347.0758
SMILESN#Cc1ccc2c(c1)C(=O)OC2(c1ccc(F)cc1)c1ccc(F)cc1
InChI KeyJGXVVBXQDYJWBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofuranones
Direct Parent benzofuranones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl fluorides
  • carboxylic acid esters
  • fluorobenzenes
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • nitriles
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phthalides
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • nitrile
  • benzofuranone
  • carboxylic acid derivative
  • organohalogen compound
  • phthalide
  • lactone
  • fluorobenzene
  • organic oxide
  • isobenzofuranone
  • isocoumaran
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • organofluoride
  • aryl halide
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound