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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:06 UTC
Update Date2025-03-21 17:57:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00006376
Frequency811.0
Structure
Chemical FormulaC6H3Cl3O
Molecular Mass195.9249
SMILESOc1c(Cl)cc(Cl)cc1Cl
InChI KeyLINPIYWFGCPVIE-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
  • o-chlorophenols
  • organochlorides
  • organooxygen compounds
  • p-chlorophenols
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 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