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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:12 UTC
Update Date2025-03-25 01:00:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245257
Frequency0.5
Structure
Chemical FormulaC12H14BrNO
Molecular Mass267.0259
SMILESCN1C(=O)CCC1(C)c1ccc(Br)cc1
InChI KeyNJMDBDAGKOKFEE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl bromides
  • azacyclic compounds
  • bromobenzenes
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organobromides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • bromobenzene
  • carboxamide group
  • aryl halide
  • organic oxygen compound
  • pyrrole
  • organobromide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • organooxygen compound