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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:08 UTC
Update Date2025-03-25 00:45:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151444
Frequency0.5
Structure
Chemical FormulaC7H4BrNO2
Molecular Mass212.9425
SMILESN#Cc1c(O)ccc(Br)c1O
InChI KeyWAEDFKAOMFLUCD-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
  • benzonitriles
  • bromobenzenes
  • halophenols
  • hydrocarbon derivatives
  • nitriles
  • o-bromophenols
  • organobromides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • p-bromophenols
    • Substituents
  • monocyclic benzene moiety
  • nitrile
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • resorcinol
  • 4-halophenol
  • organonitrogen compound
  • organopnictogen compound
  • 2-bromophenol
  • carbonitrile
  • 4-bromophenol
  • bromobenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • organooxygen compound