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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:54 UTC
Update Date2025-03-25 00:50:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180586
Frequency0.5
Structure
Chemical FormulaC12H15NO2
Molecular Mass205.1103
SMILESOc1ccc(C2(O)CN3CCC2C3)cc1
InChI KeyDDVCUGXUDFKCED-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass phenylpiperidines
Direct Parent phenylpiperidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • phenylpyrrolidines
  • pyrroles
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • 3-phenylpyrrolidine
  • tertiary alcohol
  • organic oxygen compound
  • phenylpiperidine
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound