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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:41 UTC
Update Date2025-03-21 18:35:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104688
Frequency25.9
Structure
Chemical FormulaC26H35NO3
Molecular Mass409.2617
SMILESCC1(c2ccccc2)CCN(CCCC(O)c2ccc(C(C)(C)C(=O)O)cc2)CC1
InChI KeyMIZIJYKZXYXISU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass phenylpiperidines
Direct Parent phenylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • aromatic alcohols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenylbutylamines
  • phenylpropanes
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • phenylpropane
  • organic oxide
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenylpiperidine
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound