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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:44 UTC
Update Date2025-03-21 18:03:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00045149
Frequency74.7
Structure
Chemical FormulaC8H9NO
Molecular Mass135.0684
SMILESC=CC1=C(C)C(=C)NC1=O
InChI KeyATASRERQPUMDBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound