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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:49 UTC
Update Date2025-03-21 18:40:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131391
Frequency19.3
Structure
Chemical FormulaC13H14N2O8
Molecular Mass326.075
SMILESO=c1nc(O)c2cc(O)c(O)cc2n1C1OC(CO)C(O)C1O
InChI KeyZHCIHWRLJAFKKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyrimidines
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • pyrimidone
  • hydroxypyrimidine
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline
  • organooxygen compound