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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:49 UTC
Update Date2025-03-25 01:01:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248964
Frequency0.5
Structure
Chemical FormulaC12H15N3O2
Molecular Mass233.1164
SMILESCOc1ccc2[nH]c(NC(=O)C(C)C)nc2c1
InChI KeyPFWNFVGSUAHQIB-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
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • azole
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound