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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:56 UTC
Update Date2025-03-21 18:36:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112617
Frequency23.6
Structure
Chemical FormulaC30H36N2O2
Molecular Mass456.2777
SMILESCN(C)C(=O)C(CCN1CCC(O)(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChI KeyJINAXMCJIKIAMJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent 4-benzylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diphenylmethanes
  • hydrocarbon derivatives
  • n-acyl amines
  • organic oxides
  • organopnictogen compounds
  • phenylacetamides
  • tertiary alcohols
  • tertiary carboxylic acid amides
  • trialkylamines
  • Substituents
  • diphenylmethane
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • 4-benzylpiperidine
  • phenylacetamide
  • tertiary amine
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • carboxamide group
  • n-acyl-amine
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound