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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:09 UTC
Update Date2025-03-25 00:50:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181140
Frequency0.5
Structure
Chemical FormulaC10H13N3O4
Molecular Mass239.0906
SMILESO=C(O)CC1CC(O)(Cc2cnc[nH]2)C(O)=N1
InChI KeyNTWYCNPPNGFNOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • tertiary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • pyrroline
  • organic oxygen compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound