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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:43 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205192
Frequency0.5
Structure
Chemical FormulaC9H11N5O4
Molecular Mass253.0811
SMILESNC1=Nc2ncc(nc2C(O)C(O)CO)C(=O)N1
InChI KeyJSYJTBXGUXEOCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrazines
Direct Parent pyrazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • carboxylic acids and derivatives
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • azacycle
  • guanidine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrazine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound