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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:29:59 UTC
Update Date2025-03-21 23:19:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00698198
Frequency2.2
Structure
Chemical FormulaC7H7FO
Molecular Mass126.0481
SMILESCc1ccc(F)c(O)c1
InChI KeyXEHPMVZYZDQLDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • meta cresols
  • o-fluorophenols
  • organofluorides
  • organooxygen compounds
  • toluenes
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • m-cresol
  • organofluoride
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • 2-fluorophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • fluorobenzene
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • toluene
  • organooxygen compound