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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:54 UTC
Update Date2025-03-25 00:49:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171379
Frequency0.5
Structure
Chemical FormulaC13H21NO3
Molecular Mass239.1521
SMILESCOCCOCCOc1ccc(CCN)cc1
InChI KeyUWGMWZKWJFFUNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • dialkyl ether
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound