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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:07 UTC
Update Date2025-03-21 18:31:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00084043
Frequency34.2
Structure
Chemical FormulaC11H12N2
Molecular Mass172.1
SMILESN#Cc1ccc(C2CCCN2)cc1
InChI KeyRARTUGVXCLIADN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzonitriles
  • dialkylamines
  • hydrocarbon derivatives
  • nitriles
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • nitrile
  • aromatic heteromonocyclic compound
  • azacycle
  • 2-phenylpyrrolidine
  • secondary amine
  • benzonitrile
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carbonitrile
  • amine