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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:02 UTC
Update Date2025-03-21 18:34:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100572
Frequency27.2
Structure
Chemical FormulaC13H17NO
Molecular Mass203.131
SMILESCOc1ccc2c(c1)C1CCCN1CC2
InChI KeyXRXHNMAIEJGUEL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • alkyl aryl ether
  • aralkylamine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound