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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:44 UTC
Update Date2025-03-21 18:32:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00092539
Frequency30.2
Structure
Chemical FormulaC11H11BrN2O
Molecular Mass266.0055
SMILESOC(Cn1ccnc1)c1ccc(Br)cc1
InChI KeyFAYROWPRGZRDEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent bromobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • aryl bromides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organobromides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • aromatic heteromonocyclic compound
  • organohalogen compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • heteroaromatic compound
  • bromobenzene
  • aryl halide
  • organic oxygen compound
  • secondary alcohol
  • organobromide
  • hydrocarbon derivative
  • organic nitrogen compound
  • aryl bromide
  • organooxygen compound