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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:25 UTC
Update Date2025-03-21 18:40:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130423
Frequency19.5
Structure
Chemical FormulaC20H31ClN2O4
Molecular Mass398.1972
SMILESCC(C)(CO)C(O)C(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChI KeyVEMXIEIFNVAMGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass phenylpiperidines
Direct Parent phenylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • aryl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chlorobenzenes
  • hydrocarbon derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • organochloride
  • fatty amide
  • monosaccharide
  • carboxylic acid derivative
  • organohalogen compound
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • aryl chloride
  • chlorobenzene
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • carboxamide group
  • n-acyl-amine
  • aryl halide
  • secondary carboxylic acid amide
  • tertiary alcohol
  • organic oxygen compound
  • phenylpiperidine
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound