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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:03 UTC
Update Date2025-03-21 18:34:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103129
Frequency26.4
Structure
Chemical FormulaC10H10N2
Molecular Mass158.0844
SMILESN#Cc1ccc2c(c1)CNCC2
InChI KeyLJFNUFCUPDECPC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • nitriles
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • nitrile
  • azacycle
  • secondary amine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carbonitrile
  • amine