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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:54 UTC
Update Date2025-03-25 00:50:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182831
Frequency0.5
Structure
Chemical FormulaC15H17N3O6
Molecular Mass335.1117
SMILESO=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CC(O)C(O)C(O)CO
InChI KeyTWSQYRGPQFPTAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • pyrimidones
  • pyrroles
  • secondary alcohols
  • vinylogous amides
    • Substituents
  • lactam
  • indole
  • pyrimidone
  • pyrimidine
  • pyrrolopyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound