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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:32 UTC
Update Date2025-03-25 00:56:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218766
Frequency0.5
Structure
Chemical FormulaC12H16N2O2
Molecular Mass220.1212
SMILESCc1ccc2[nH]c(C(O)C(C)O)nc2c1C
InChI KeyBVVBCHXGXDMHJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • azole
  • 1,2-diol