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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:36 UTC
Update Date2025-03-21 18:38:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119089
Frequency21.9
Structure
Chemical FormulaC15H20N2O2
Molecular Mass260.1525
SMILESCc1cccc(C)c1NC(=O)CCN1CCCC1=O
InChI KeyAAQJJUHNOXRMHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • anilides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
  • m-xylenes
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • n-arylamide
  • xylene
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • m-xylene
  • carboxamide group
  • beta amino acid or derivatives
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound