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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:36 UTC
Update Date2025-03-25 01:01:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253036
Frequency0.5
Structure
Chemical FormulaC14H11N3O2
Molecular Mass253.0851
SMILESO=C(Nc1nc2c(O)cccc2[nH]1)c1ccccc1
InChI KeyUXOSWEVAZGYSEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzamides
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • benzamide
  • organic oxide
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • azole
  • azacycle
  • heteroaromatic compound
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound