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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:56 UTC
Update Date2025-03-21 18:05:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054888
Frequency58.5
Structure
Chemical FormulaC8H9ClO3
Molecular Mass188.024
SMILESOCC(O)c1ccc(O)c(Cl)c1
InChI KeyNGUXYEYYKGDLTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • o-chlorophenols
  • organochlorides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • alcohol
  • monocyclic benzene moiety
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • halobenzene
  • primary alcohol
  • organooxygen compound
  • 1,2-diol