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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:46 UTC
Update Date2025-03-25 01:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248837
Frequency0.5
Structure
Chemical FormulaC14H22NO2+
Molecular Mass236.1645
SMILESCOc1ccc(C2CCC[N+]2(C)C)cc1OC
InChI KeyIAEMYGAUVMGMTD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic cations
  • organic salts
  • organopnictogen compounds
  • phenoxy compounds
  • pyrroles
  • tetraalkylammonium salts
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • aralkylamine
  • dimethoxybenzene
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • quaternary ammonium salt
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound