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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:33 UTC
Update Date2025-03-25 00:47:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159199
Frequency0.5
Structure
Chemical FormulaC7H7BrO2
Molecular Mass201.9629
SMILESOCc1ccc(O)cc1Br
InChI KeyWSRHRQCZRFLQMS-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
  • aromatic alcohols
  • aryl bromides
  • benzyl alcohols
  • bromobenzenes
  • hydrocarbon derivatives
  • m-bromophenols
  • organobromides
    • Substituents
  • aromatic alcohol
  • alcohol
  • 3-halophenol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • bromobenzene
  • benzyl alcohol
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organobromide
  • 3-bromophenol
  • hydrocarbon derivative
  • halobenzene
  • aryl bromide
  • organooxygen compound