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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:38 UTC
Update Date2025-03-25 00:46:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157206
Frequency0.5
Structure
Chemical FormulaC12H15NO3
Molecular Mass221.1052
SMILESO=C1NC(Cc2cccc(O)c2)CCC1O
InChI KeyYAJAFEHSVNSMEK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent 2-benzylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinones
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 2-benzylpiperidine
  • lactam
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • alcohol
  • azacycle
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • delta-lactam
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound