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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:43 UTC
Update Date2025-03-25 00:46:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157377
Frequency0.5
Structure
Chemical FormulaC13H14N2O2
Molecular Mass230.1055
SMILESO=C1NN2C(=O)C(Cc3ccccc3)CCC12
InChI KeyWHBCXSPAQUACEF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent 3-benzylpiperidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid hydrazides
  • carboxylic acids and derivatives
  • delta lactams
  • diazetidines
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinones
    • Substituents
  • 1,2-diazetidine
  • monocyclic benzene moiety
  • carboxylic acid hydrazide
  • carbonyl group
  • azacycle
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • delta-lactam
  • 3-benzylpiperidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • piperidinone
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound