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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:04 UTC
Update Date2025-03-25 00:58:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231143
Frequency0.5
Structure
Chemical FormulaC10H14N2O2
Molecular Mass194.1055
SMILESCCCCOC(=O)c1ccc(N)nc1
InChI KeyTVMZGEIGBKSZQX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridine-3-carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids and derivatives
  • azacyclic compounds
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • methylpyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound