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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:52 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230686
Frequency0.5
Structure
Chemical FormulaC11H16N4O3
Molecular Mass252.1222
SMILESCN(CCCC(O)c1cnccc1NC=O)N=O
InChI KeyYKZYISKORFPXCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-arylamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organic n-nitroso compounds
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • aromatic alcohol
  • carbonyl group
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • n-arylamide
  • carboxylic acid derivative
  • organic n-nitroso compound
  • organic oxide
  • organopnictogen compound
  • organoheterocyclic compound
  • alcohol
  • organic nitroso compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound