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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:19 UTC
Update Date2025-03-25 00:50:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183773
Frequency0.5
Structure
Chemical FormulaC25H25ClN2O2
Molecular Mass420.1605
SMILESO=C1CCC(C(=O)N2CCC(=C3c4ccccc4CCc4cc(Cl)ccc43)CC2)N1
InChI KeyTWQUYNRDUZPVQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classdibenzocycloheptenes
Subclass dibenzocycloheptenes
Direct Parent dibenzocycloheptenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • aryl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-acylpiperidines
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • organochloride
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • piperidine
  • pyrrolidone
  • organoheterocyclic compound
  • aryl chloride
  • alpha-amino acid amide
  • azacycle
  • carboxamide group
  • dibenzocycloheptene
  • aryl halide
  • secondary carboxylic acid amide
  • n-acyl-piperidine
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • organooxygen compound