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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:51 UTC
Update Date2025-03-21 17:57:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00008122
Frequency608.5
Structure
Chemical FormulaC11H15N
Molecular Mass161.1204
SMILESCC1(c2ccccc2)CCNC1
InChI KeyFITWJEPAVCOKSH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • secondary amine
  • 3-phenylpyrrolidine
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine