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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:37 UTC
Update Date2025-03-25 00:57:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227956
Frequency0.5
Structure
Chemical FormulaC26H35N3O4
Molecular Mass453.2628
SMILESC=CC(=O)Cc1c[nH]c(Cc2[nH]c(CC3NC(=O)C(CC)C3C)c(C)c2CCC(=O)O)c1C
InChI KeyZFMSTNHZZLVLOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • azacyclic compounds
  • carboxylic acids
  • enones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketones
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • alpha,beta-unsaturated ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • enone
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organooxygen compound