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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:34 UTC
Update Date2025-03-25 00:56:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218834
Frequency0.5
Structure
Chemical FormulaC7H11BrN2
Molecular Mass202.0106
SMILESCn1cc(Br)cc1CCN
InChI KeyYYONEVSDUCRFIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classaryl halides
Subclass aryl bromides
Direct Parent aryl bromides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • n-methylpyrroles
  • organobromides
  • organonitrogen compounds
  • organopnictogen compounds
  • substituted pyrroles
    • Substituents
  • n-methylpyrrole
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • pyrrole
  • organonitrogen compound
  • organobromide
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • aryl bromide
  • organoheterocyclic compound