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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:18 UTC
Update Date2025-03-21 18:35:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103716
Frequency26.2
Structure
Chemical FormulaC9H12N2O7
Molecular Mass260.0645
SMILESO=c1[nH]c(O)c(C2OC(CO)C(O)C2O)c(=O)[nH]1
InChI KeyBXPQPKDGXBCEKR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyrimidines
  • lactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous acids
  • vinylogous amides
    • Substituents
  • ether
  • lactam
  • aromatic heteromonocyclic compound
  • monosaccharide
  • pyrimidone
  • hydroxypyrimidine
  • dialkyl ether
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound