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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:21 UTC
Update Date2025-03-25 01:01:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247921
Frequency0.5
Structure
Chemical FormulaC6H2BrCl3O2
Molecular Mass289.8304
SMILESOc1c(O)c(Cl)c(Br)c(Cl)c1Cl
InChI KeyFTXOZWZHYSZBIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent 4-chlorocatechols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 3-chlorocatechols
  • aryl bromides
  • aryl chlorides
  • bromobenzenes
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-bromophenols
  • m-chlorophenols
  • o-chlorophenols
  • organobromides
  • organochlorides
  • organooxygen compounds
  • p-bromophenols
  • p-chlorophenols
    • Substituents
  • 4-chlorocatechol
  • monocyclic benzene moiety
  • organochloride
  • organohalogen compound
  • 3-chlorocatechol
  • 4-halophenol
  • 3-bromophenol
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • 4-bromophenol
  • 4-chlorophenol
  • bromobenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • halobenzene
  • aryl bromide
  • organooxygen compound