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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:22 UTC
Update Date2025-03-25 00:50:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179358
Frequency0.5
Structure
Chemical FormulaC17H23NO
Molecular Mass257.178
SMILESCOc1ccc2c(c1)CCC1C3CC1(CCN3C)C2
InChI KeyPHWVOBMDTCLQLP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperidines
  • trialkylamines
    • Substituents
  • ether
  • azacycle
  • tertiary aliphatic amine
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound