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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:18 UTC
Update Date2025-03-25 00:49:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172267
Frequency0.5
Structure
Chemical FormulaC21H30N4O4
Molecular Mass402.2267
SMILESCCC1C(Cc2[nH]c(CC3N=C(C)C(=O)N3)c(C)c2CCC(=O)O)NC(=O)C1C
InChI KeyYZHQZLKXTKZJAG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass imidazolines
Direct Parent imidazolinones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidazolinone
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound