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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:12 UTC
Update Date2025-03-25 01:00:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245240
Frequency0.5
Structure
Chemical FormulaC14H22N2O
Molecular Mass234.1732
SMILESCN1CCC(COc2ccc(CCN)cc2)C1
InChI KeyKSSRWBAVXQFCPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • phenoxy compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • alkyl aryl ether
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound