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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:21:36 UTC
Update Date2025-03-24 20:43:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01542162
Frequency0.8
Structure
Chemical FormulaC6H8N2O2
Molecular Mass140.0586
SMILESCOC(=O)c1nccn1C
InChI KeyHEHAQSPPEDVSHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • n-substituted imidazole