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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:44 UTC
Update Date2025-03-25 00:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177946
Frequency0.5
Structure
Chemical FormulaC6H4BrClO2
Molecular Mass221.9083
SMILESOc1cc(O)c(Br)c(Cl)c1
InChI KeyPVZCXNYOIKJZTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl bromides
  • aryl chlorides
  • bromobenzenes
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • o-bromophenols
  • organobromides
  • organochlorides
  • organooxygen compounds
  • p-bromophenols
    • Substituents
  • monocyclic benzene moiety
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • resorcinol
  • 4-halophenol
  • 2-bromophenol
  • aryl chloride
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • 4-bromophenol
  • bromobenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • halobenzene
  • aryl bromide
  • organooxygen compound