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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:11 UTC
Update Date2025-03-25 00:51:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188044
Frequency0.5
Structure
Chemical FormulaC11H14N2O3
Molecular Mass222.1004
SMILESCC(=O)Nc1c(C)nc(C)c(C)c1C(=O)O
InChI KeyNBHZYKHYUSQNKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridinecarboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 2-halopyridines
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monocarboxylic acids and derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • n-arylamide
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • 2-halopyridine
  • acetamide
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound