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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:58 UTC
Update Date2025-03-25 00:46:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157920
Frequency0.5
Structure
Chemical FormulaC12H13N3O7
Molecular Mass311.0754
SMILESO=C(O)c1c[nH]c2c(=O)n(C3OC(CO)C(O)C3O)cnc12
InChI KeyBSOHSCLIGGASOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • pyrimidones
  • pyrrole carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • lactam
  • carboxylic acid
  • pyrrole-3-carboxylic acid or derivatives
  • monosaccharide
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • pyrrolopyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • primary alcohol
  • alcohol
  • vinylogous amide
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrole-3-carboxylic acid
  • organooxygen compound