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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:58 UTC
Update Date2025-03-25 00:51:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189872
Frequency0.5
Structure
Chemical FormulaC9H9ClO
Molecular Mass168.0342
SMILESC=CCc1cc(Cl)ccc1O
InChI KeyNQZKLVHWFYHXGH-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
  • p-chlorophenols
    • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • 4-chlorophenol
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • 4-halophenol
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound