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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:06 UTC
Update Date2025-03-21 18:04:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050712
Frequency64.6
Structure
Chemical FormulaC8H10BrNO
Molecular Mass214.9946
SMILESNCCc1ccc(O)c(Br)c1
InChI KeyKIKCGMHGZPBUNQ-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
  • bromobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • o-bromophenols
  • organobromides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • bromobenzene
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organonitrogen compound
  • organobromide
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • 2-bromophenol
  • organooxygen compound