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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:05 UTC
Update Date2025-03-21 18:04:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00052990
Frequency61.2
Structure
Chemical FormulaC6H4BrClO
Molecular Mass205.9134
SMILESOc1ccc(Br)cc1Cl
InChI KeyVIBJPUXLAKVICD-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 bromides
  • aryl chlorides
  • bromobenzenes
  • chlorobenzenes
  • hydrocarbon derivatives
  • o-chlorophenols
  • organobromides
  • organochlorides
  • organooxygen compounds
  • p-bromophenols
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • monocyclic benzene moiety
  • 4-bromophenol
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • bromobenzene
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • 4-halophenol
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • halobenzene
  • aryl bromide
  • organooxygen compound