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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:42 UTC
Update Date2025-03-25 01:00:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241718
Frequency0.5
Structure
Chemical FormulaC8H10N2O2
Molecular Mass166.0742
SMILESCC(O)c1cnccc1C(N)=O
InChI KeyRYSGMNQZXUFRQR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridinecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary carboxylic acid amides
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • primary carboxylic acid amide
  • pyridine carboxylic acid or derivatives
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound