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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:11 UTC
Update Date2025-03-21 18:01:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00031778
Frequency115.5
Structure
Chemical FormulaC9H11N5O3
Molecular Mass237.0862
SMILESOCC1OC(n2cnc3nncnc32)CC1O
InChI KeyIQNIGOLFXISPHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass 1,2,4-triazines
Direct Parent 1,2,4-triazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • n-substituted imidazoles
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • 1,2,4-triazine
  • organooxygen compound
  • azole
  • n-substituted imidazole