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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:50 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249014
Frequency0.5
Structure
Chemical FormulaC15H20N2O
Molecular Mass244.1576
SMILESCOc1ccc2c(c1)NC1CC3CC21CCN3C
InChI KeyOVPDQOJPGFTGQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indolines
Direct Parent 2,3-cyclopentanoindolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • azepanes
  • hydrocarbon derivatives
  • indoles
  • organopnictogen compounds
  • piperidines
  • secondary alkylarylamines
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • indole
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • azepane
  • organic oxygen compound
  • anisole
  • 2,3-cyclopentanoindoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound