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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:27 UTC
Update Date2025-03-25 00:47:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163481
Frequency0.5
Structure
Chemical FormulaC18H22N5O+
Molecular Mass324.1819
SMILESC=CC1=C(C)C(=O)NC1=Cc1[nH][n+](Cc2cnc(C)[nH]2)c(C)c1C
InChI KeyKGAQHZSZBCBCCH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass pyrazoles
Direct Parent pyrazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • lactams
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • pyrazole
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound