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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:29 UTC
Update Date2025-03-25 00:49:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177360
Frequency0.5
Structure
Chemical FormulaC9H13N7O
Molecular Mass235.1182
SMILESCNCC(O)c1cnc2nc(N)nc(N)c2n1
InChI KeyUHFSWOXASABRDO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pteridines and derivatives
Direct Parent pteridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrazines
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • pteridine
  • pyrimidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrazine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound