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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:14 UTC
Update Date2025-03-25 00:49:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176775
Frequency0.5
Structure
Chemical FormulaC13H17NO2
Molecular Mass219.1259
SMILESO=C(O)c1ccccc1CN1CCCCC1
InChI KeySETGNIQLYMGVGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent n-benzylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • amino acids
  • aralkylamines
  • azacyclic compounds
  • benzoic acids
  • benzoyl derivatives
  • benzylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • phenylmethylamines
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • carboxylic acid derivative
  • aralkylamine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • benzoic acid or derivatives
  • n-benzylpiperidine
  • monocarboxylic acid or derivatives
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound