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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:44 UTC
Update Date2025-03-25 01:01:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251112
Frequency0.5
Structure
Chemical FormulaC12H17N5O7
Molecular Mass343.1128
SMILESOCC(O)C(O)c1nnc2ncn(C3OC(CO)C(O)C3O)c2n1
InChI KeyOPISEORZWKSZET-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
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • n-substituted imidazoles
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • aromatic alcohol
  • 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