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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:56 UTC
Update Date2025-03-21 18:06:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00064383
Frequency47.8
Structure
Chemical FormulaC17H22N2O3
Molecular Mass302.163
SMILESC=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(=O)O
InChI KeyXJUBIYTYBRKTJZ-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
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound