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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:55 UTC
Update Date2025-03-25 01:01:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251509
Frequency0.5
Structure
Chemical FormulaC7H6Cl2O3
Molecular Mass207.9694
SMILESOCc1cc(Cl)c(O)c(O)c1Cl
InChI KeyLPCVVKQLNXBJHS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent 3-chlorocatechols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • aryl chlorides
  • benzyl alcohols
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • o-chlorophenols
  • organochlorides
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • organochloride
  • organohalogen compound
  • 3-chlorocatechol
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • alcohol
  • 3-halophenol
  • 3-chlorophenol
  • 1,4-dichlorobenzene
  • benzyl alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound