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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:41 UTC
Update Date2025-03-25 00:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177832
Frequency0.5
Structure
Chemical FormulaC15H21NO2
Molecular Mass247.1572
SMILESCc1ccc(C)c(CN2CCC(C(=O)O)CC2)c1
InChI KeyZFLFISDMTBSZAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent n-benzylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • aralkylamines
  • azacyclic compounds
  • benzylamines
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenylmethylamines
  • piperidinecarboxylic acids
  • trialkylamines
  • p-xylenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • aralkylamine
  • xylene
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinecarboxylic acid
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • n-benzylpiperidine
  • monocarboxylic acid or derivatives
  • p-xylene
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound