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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:44 UTC
Update Date2025-03-25 00:56:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219242
Frequency0.5
Structure
Chemical FormulaC16H21NO
Molecular Mass243.1623
SMILESCOc1ccc2c(c1)C1CCN3CCCC3C1C2
InChI KeyXJCWPFZLKOPFNR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindolizidines
Subclass indolizidines
Direct Parent indolizidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • indanes
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • piperidines
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • indolizidine
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • piperidine
  • amine
  • tertiary amine
  • organooxygen compound