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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:47 UTC
Update Date2025-03-25 00:46:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157539
Frequency0.5
Structure
Chemical FormulaC30H33NO5
Molecular Mass487.2359
SMILESO=C(O)CCc1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1CC(=O)O
InChI KeyGKETUPFRBZSTHX-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
  • aromatic alcohols
  • azacyclic compounds
  • benzylamines
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • diphenylmethanes
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • phenylmethylamines
  • phenylpropanoic acids
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • diphenylmethane
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • aralkylamine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • n-benzylpiperidine
  • tertiary alcohol
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound