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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:58 UTC
Update Date2025-03-25 00:57:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224406
Frequency0.5
Structure
Chemical FormulaC6H6N2O5
Molecular Mass186.0277
SMILESO=C(O)C1=NNC(=O)C(C(=O)O)C1
InChI KeyVTHXIQUZBKWFLW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyridazines and derivatives
Direct Parent pyridazinones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • pyridazinone
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound