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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:45 UTC
Update Date2025-03-25 00:53:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202953
Frequency0.5
Structure
Chemical FormulaC13H14N4O6
Molecular Mass322.0913
SMILESO=C1N=C2C(=Nc3ccn(CC(O)C(O)C(O)CO)c32)C(=O)N1
InChI KeyVTUTWBQKEXTRON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydropyrimidines
  • ketimines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary alcohols
  • substituted pyrroles
    • Substituents
  • ketimine
  • carbonyl group
  • imine
  • pyrimidone
  • substituted pyrrole
  • carboxylic acid derivative
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • pyrrolopyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • dicarboximide
  • primary alcohol
  • 1,2,5,6-tetrahydropyrimidine
  • alcohol
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound