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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:57 UTC
Update Date2025-03-25 00:47:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164620
Frequency0.5
Structure
Chemical FormulaC10H13N2O+
Molecular Mass177.1022
SMILESCC(O)C[n+]1c[nH]c2ccccc21
InChI KeyCRWGIKGRSPZWLW-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic cation
  • organooxygen compound
  • azole
  • n-substituted imidazole