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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:49 UTC
Update Date2025-03-25 01:00:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242002
Frequency0.5
Structure
Chemical FormulaC20H28N2O2
Molecular Mass328.2151
SMILESCC(C)CC1CC2CCCN2C(=O)C(Cc2ccccc2)NC1=O
InChI KeyPTKOIYJXIWHPCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidines
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • organooxygen compound