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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:32 UTC
Update Date2025-03-25 00:46:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156996
Frequency0.5
Structure
Chemical FormulaC12H15NO3
Molecular Mass221.1052
SMILESO=C(c1ccccc1)N1CCC(O)C(O)C1
InChI KeyFKIVNFJKDWARHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass n-acylpiperidines
Direct Parent n-benzoylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-benzoylpiperidines
  • azacyclic compounds
  • benzamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • 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
  • benzamide
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-diol
  • n-benzoylpiperidine
  • alcohol
  • azacycle
  • benzoic acid or derivatives
  • carboxamide group
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound