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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:49 UTC
Update Date2025-03-25 00:50:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180390
Frequency0.5
Structure
Chemical FormulaC14H20NO2+
Molecular Mass234.1489
SMILESCOc1cc2c(cc1OC)[N+]1(CCCC1)CC2
InChI KeyMMTMDCNIFTXYJV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amines
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic cations
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
    • Substituents
  • phenol ether
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • indole
  • quaternary ammonium salt
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic cation
  • organic salt
  • pyrrolidine
  • amine
  • organooxygen compound