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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:29 UTC
Update Date2025-03-25 00:49:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177337
Frequency0.5
Structure
Chemical FormulaC13H17N
Molecular Mass187.1361
SMILESc1ccc(C2(C3CCC3)CNC2)cc1
InChI KeySBKLHYYVNQURFS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazetidines
Subclass phenylazetidines
Direct Parent phenylazetidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • 3-phenylazetidine
  • secondary amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine