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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:09:37 UTC
Update Date2025-03-21 19:05:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00226521
Frequency9.5
Structure
Chemical FormulaC6H4F2O
Molecular Mass130.023
SMILESOc1ccc(F)cc1F
InChI KeyNVWVWEWVLBKPSM-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
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • o-fluorophenols
  • organofluorides
  • organooxygen compounds
  • p-fluorophenols
    • Substituents
  • aryl fluoride
  • 4-fluorophenol
  • monocyclic benzene moiety
  • organofluoride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • 2-fluorophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • fluorobenzene
  • 4-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound