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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:03 UTC
Update Date2025-03-21 18:05:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00059905
Frequency52.4
Structure
Chemical FormulaC6H4Cl2O2
Molecular Mass177.9588
SMILESOc1cc(Cl)c(O)cc1Cl
InChI KeyAYNPIRVEWMUJDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1,4-dihydroxy-2-halobenzenoids
Direct Parent 1,4-dihydroxy-2-halobenzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • chlorohydroquinones
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • o-chlorophenols
  • organochlorides
  • organooxygen compounds
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • monocyclic benzene moiety
  • 1,4-dichlorobenzene
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • chlorohydroquinone
  • aryl halide
  • hydroquinone
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • 1,4-dihydroxy-2-halobenzenoid
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound