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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:42 UTC
Update Date2025-03-21 17:58:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00016897
Frequency251.6
Structure
Chemical FormulaC6H4Cl2O2
Molecular Mass177.9588
SMILESOc1cc(Cl)cc(Cl)c1O
InChI KeyXSXYVLIPQMXCBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent 4-chlorocatechols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-chlorocatechols
  • aryl chlorides
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • o-chlorophenols
  • organochlorides
  • organooxygen compounds
  • p-chlorophenols
    • Substituents
  • 4-chlorocatechol
  • monocyclic benzene moiety
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • 3-chlorocatechol
  • 1,3-dichlorobenzene
  • 4-halophenol
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • 4-chlorophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound