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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:57 UTC
Update Date2025-03-25 01:01:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249258
Frequency0.5
Structure
Chemical FormulaC12H14N4O7
Molecular Mass326.0862
SMILESCOC(=O)c1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1
InChI KeyYMWPACXLPGNLMB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleosides
Subclass purine nucleosides
Direct Parent purine nucleosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hypoxanthines
  • imidazoles
  • lactams
  • methyl esters
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • purines and purine derivatives
  • pyrimidinecarboxylic acids
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • lactam
  • monosaccharide
  • pyrimidone
  • imidazopyrimidine
  • carboxylic acid derivative
  • pyrimidine
  • saccharide
  • organic oxide
  • methyl ester
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • pyrimidine-2-carboxylic acid
  • vinylogous amide
  • azacycle
  • tetrahydrofuran
  • purine nucleoside
  • heteroaromatic compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hypoxanthine
  • hydrocarbon derivative
  • purine
  • organic nitrogen compound
  • pyrimidine-2-carboxylic acid or derivatives
  • organooxygen compound