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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:04 UTC
Update Date2025-03-21 17:58:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00013334
Frequency336.2
Structure
Chemical FormulaC6H3Cl3O
Molecular Mass195.9249
SMILESOc1c(Cl)ccc(Cl)c1Cl
InChI KeyXGCHAIDDPMFRLJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • m-chlorophenols
  • o-chlorophenols
  • organochlorides
  • organooxygen compounds
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • monocyclic benzene moiety
  • organochloride
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound