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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:50 UTC
Update Date2025-03-25 00:49:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175804
Frequency0.5
Structure
Chemical FormulaC13H17NO2
Molecular Mass219.1259
SMILESCc1ccc(C(=O)N2CCC(O)CC2)cc1
InChI KeyPHLKXINDYFUCQE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass n-acylpiperidines
Direct Parent n-benzoylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-benzoylpiperidines
  • azacyclic compounds
  • benzamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n,n-dialkyl-p-toluamides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • 1-benzoylpiperidine
  • aromatic heteromonocyclic compound
  • benzoyl
  • carboxylic acid derivative
  • toluamide
  • benzamide
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • n-benzoylpiperidine
  • alcohol
  • azacycle
  • benzoic acid or derivatives
  • carboxamide group
  • p-toluamide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • n,n-dialkyl-p-toluamide
  • organic nitrogen compound
  • toluene
  • organooxygen compound