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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:16 UTC
Update Date2025-03-25 01:01:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249999
Frequency0.5
Structure
Chemical FormulaC12H17N3O
Molecular Mass219.1372
SMILESCOc1ccc2ncn(CCN(C)C)c2c1
InChI KeyUZEFVDXIJLOTEF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • azole
  • n-substituted imidazole