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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:12 UTC
Update Date2025-03-25 00:56:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217976
Frequency0.5
Structure
Chemical FormulaC16H20N2O
Molecular Mass256.1576
SMILESCOc1ccc2c(c1)c1c(n2C)C2C(CCN2C)C1
InChI KeyBNKXZMLBZOVVRX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass n-alkylindoles
Direct Parent n-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • n-alkylpyrrolidines
  • n-methylpyrroles
  • organopnictogen compounds
  • substituted pyrroles
  • trialkylamines
  • Substituents
  • phenol ether
  • n-methylpyrrole
  • ether
  • n-alkylindole
  • indole
  • substituted pyrrole
  • alkyl aryl ether
  • aralkylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound