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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:34 UTC
Update Date2025-03-25 00:52:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195634
Frequency0.5
Structure
Chemical FormulaC11H16N2
Molecular Mass176.1313
SMILESCC1c2ccc(N)cc2CCN1C
InChI KeyPVIDUVADVHYWRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary amines
  • trialkylamines
    • Substituents
  • azacycle
  • tertiary aliphatic amine
  • aralkylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • tertiary amine