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Record Information
HMDB Statusquantified
Creation Date2024-02-21 00:03:54 UTC
Update Date2025-03-21 18:28:23 UTC
HMDB IDHMDB0041974
Metabolite Identification
DeepMet IDDMID00071500
NamePentachlorophenol
Frequency42.0
Structure
Chemical FormulaC6HCl5O
Molecular Mass263.847
SMILESOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI KeyIZUPBVBPLAPZRR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • m-chlorophenols
  • o-chlorophenols
  • organochlorides
  • organooxygen compounds
  • p-chlorophenols
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • monocyclic benzene moiety
  • 4-chlorophenol
  • organochloride
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • 4-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound