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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:14 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204078
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESC=C(C)C(=O)CC1NC(=O)C(CC)=C1C
InChI KeyYLKARVTUNNSMOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • azacyclic compounds
  • carboxylic acids and derivatives
  • enones
  • hydrocarbon derivatives
  • ketones
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organoheterocyclic compound
  • enone