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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:43 UTC
Update Date2025-03-25 00:50:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180146
Frequency0.5
Structure
Chemical FormulaC9H11N3O
Molecular Mass177.0902
SMILESCc1cc2[nH]c(=O)[nH]c2c(C)c1N
InChI KeyVSMKIIMHZKEYIX-UHFFFAOYSA-N
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
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
    • Substituents
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • azole