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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:23 UTC
Update Date2025-03-25 01:01:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250268
Frequency0.5
Structure
Chemical FormulaC13H16N2O6
Molecular Mass296.1008
SMILESO=C(O)c1nc2ccccc2n1CC(O)C(O)C(O)CO
InChI KeyDMWSGBYKGHNENT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monocarboxylic acids and derivatives
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound
  • azole
  • n-substituted imidazole