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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:33 UTC
Update Date2025-03-21 18:31:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00085057
Frequency33.6
Structure
Chemical FormulaC6H6ClNO
Molecular Mass143.0138
SMILESNc1cc(Cl)ccc1O
InChI KeySWFNPENEBHAHEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • p-chlorophenols
  • primary amines
    • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • 4-chlorophenol
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 4-halophenol
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound