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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:49 UTC
Update Date2025-03-25 00:57:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226226
Frequency0.5
Structure
Chemical FormulaC14H20N2O
Molecular Mass232.1576
SMILESCC(O)(c1cccnc1)C1CC2CCCN2C1
InChI KeyUGFIAPZLBUGMPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolizidines
Subclass pyrrolizidines
Direct Parent pyrrolizidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • tertiary alcohol
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • pyrrolizidine
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound