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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:49 UTC
Update Date2025-03-25 01:02:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253512
Frequency0.5
Structure
Chemical FormulaC13H16N6O7
Molecular Mass368.108
SMILESNc1nc(N)c2nc(COC3OC(C(=O)O)C(O)C(O)C3O)cnc2n1
InChI KeyJRJKYTUPBCMYSA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • amino acids
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary amines
  • pteridines and derivatives
  • pyran carboxylic acids
  • pyrazines
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • o-glucuronide
  • monosaccharide
  • pteridine
  • carboxylic acid derivative
  • pyran carboxylic acid
  • pyrimidine
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • imidolactam
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • pyrazine
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine