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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:45 UTC
Update Date2025-03-25 00:49:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177973
Frequency0.5
Structure
Chemical FormulaC12H15N
Molecular Mass173.1204
SMILESc1ccc2c(c1)CC1CC2CCN1
InChI KeyNSLKFRGZLUIUKO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Class6,7-benzomorphans
Subclass 6,7-benzomorphans
Direct Parent 6,7-benzomorphans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzazocines
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperidines
  • tetralins
    • Substituents
  • tetralin
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • aromatic heteropolycyclic compound
  • benzazocine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • organoheterocyclic compound
  • 6,7-benzomorphan
  • amine