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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:37 UTC
Update Date2025-03-21 18:35:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104492
Frequency25.9
Structure
Chemical FormulaC6H5BrO2
Molecular Mass187.9473
SMILESOc1cccc(Br)c1O
InChI KeyJPBDMIWPTFDFEU-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl bromides
  • bromobenzenes
  • hydrocarbon derivatives
  • m-bromophenols
  • o-bromophenols
  • organobromides
  • organooxygen compounds
    • Substituents
  • 3-halophenol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • bromobenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organobromide
  • 3-bromophenol
  • hydrocarbon derivative
  • halobenzene
  • aryl bromide
  • 2-bromophenol
  • organooxygen compound