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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:34:42 UTC
Update Date2025-03-21 18:46:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00144945
Frequency26.7
Structure
Chemical FormulaC8H12N4O2
Molecular Mass196.096
SMILESCC(O)C(O)C1=Nc2nc[nH]c2NC1
InChI KeyKGYTVXXEFJVWFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • ketimines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • ketimine
  • azacycle
  • imine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary aliphatic/aromatic amine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • azole
  • 1,2-diol