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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:20 UTC
Update Date2025-03-25 00:56:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220637
Frequency0.5
Structure
Chemical FormulaC8H6ClFO3
Molecular Mass203.999
SMILESO=C(O)Cc1cc(F)c(O)c(Cl)c1
InChI KeyOKIGGOYFIQGYRD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • aryl fluorides
  • carbonyl compounds
  • carboxylic acids
  • chlorobenzenes
  • fluorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-chlorophenols
  • o-fluorophenols
  • organic oxides
  • organochlorides
  • organofluorides
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • fluorobenzene
  • organic oxide
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • organofluoride
  • 2-fluorophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound