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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:00 UTC
Update Date2025-03-25 00:58:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233274
Frequency0.5
Structure
Chemical FormulaC22H23N3O5
Molecular Mass409.1638
SMILESC=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2NC(=O)C(C)C2=O)c(CCC(=O)O)c1C
InChI KeyXAXBXZWOMMHSFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids
  • cyclic ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-3-ones
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-pyrrolidone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound