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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:47 UTC
Update Date2025-03-21 17:57:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00010315
Frequency458.8
Structure
Chemical FormulaC17H19N
Molecular Mass237.1518
SMILESCN1CCc2ccccc2C1Cc1ccccc1
InChI KeyVKRKVLLLTIHDEF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoquinolines and derivatives
Subclass benzylisoquinolines
Direct Parent benzylisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tetrahydroisoquinolines
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • azacycle
  • tertiary aliphatic amine
  • benzylisoquinoline
  • aralkylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine