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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:25 UTC
Update Date2025-03-25 00:55:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211551
Frequency0.5
Structure
Chemical FormulaC9H14N2O2
Molecular Mass182.1055
SMILESCC(=O)Nc1ncc(C(C)(C)C)o1
InChI KeyLTYMUYMCLLENHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,5-disubstituted oxazoles
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • oxazole
  • carboxamide group
  • 2,5-disubstituted 1,3-oxazole
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • acetamide
  • organooxygen compound
  • azole