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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:38:31 UTC
Update Date2025-03-21 22:52:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00576801
Frequency2.8
Structure
Chemical FormulaC7H11N
Molecular Mass109.0891
SMILESC1=CC2CCCN2C1
InChI KeyCSNWPSHAZNPDBA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolizines
Subclass pyrrolizines
Direct Parent pyrrolizines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • pyrrolines
  • trialkylamines
    • Substituents
  • pyrrolizine
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine