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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:32 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159161
Frequency0.5
Structure
Chemical FormulaC14H22N2O3
Molecular Mass266.163
SMILESOCCOCCN1CCC(C(O)c2ccccn2)C1
InChI KeyKDGMPWVZWZYIQI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent 2-halopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • aromatic alcohols
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • ether
  • aromatic heteromonocyclic compound
  • dialkyl ether
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • tertiary amine
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound