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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:26 UTC
Update Date2025-03-25 00:52:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190862
Frequency0.5
Structure
Chemical FormulaC18H21N3O4
Molecular Mass343.1532
SMILESC=CC1=C(C)C(=O)NC1=Cc1[nH]c(NC(C)=O)c(C)c1CCC(=O)O
InChI KeyTXNPDMHUNZJAFA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • acetamide
  • organooxygen compound