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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:38 UTC
Update Date2025-03-25 00:46:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157183
Frequency0.5
Structure
Chemical FormulaC8H6FNO2
Molecular Mass167.0383
SMILESO=C1Cc2cc(F)c(O)cc2N1
InChI KeyCBYLWNHYEFNSDR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl fluorides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • indolines
  • lactams
  • o-fluorophenols
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • aryl fluoride
  • carbonyl group
  • lactam
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dihydroindole
  • azacycle
  • organofluoride
  • carboxamide group
  • 2-fluorophenol
  • aryl halide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound