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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:21 UTC
Update Date2025-03-21 18:39:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125463
Frequency20.4
Structure
Chemical FormulaC8H11N5O3
Molecular Mass225.0862
SMILESCC(O)C(O)c1c[nH]c2nc(N)nc(=O)n12
InChI KeyVGUNLKARSZAQMZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass aminotriazines
Direct Parent aminotriazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • aromatic alcohols
  • azacyclic compounds
  • halo-s-triazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • secondary alcohols
  • triazinones
    • Substituents
  • aromatic alcohol
  • amino-1,3,5-triazine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • azole
  • 1,2-diol
  • n-substituted imidazole
  • alcohol
  • carbonic acid derivative
  • azacycle
  • aminotriazine
  • heteroaromatic compound
  • organic oxygen compound
  • halo-s-triazine
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3,5-triazine
  • primary amine
  • organic nitrogen compound
  • amine
  • triazinone
  • organooxygen compound