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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:44 UTC
Update Date2025-03-25 00:49:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175589
Frequency0.5
Structure
Chemical FormulaC21H29N2O3+
Molecular Mass357.2173
SMILESC=CC1=C(C)C(=CC2C(C)=C(CCC(=O)O)C([N+](C)(C)C)=C2C)NC1=O
InChI KeyJKAUVXBDFIKVPC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • azacycle
  • quaternary ammonium salt
  • carboxamide group
  • carboxylic acid derivative
  • 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
  • organic cation
  • organic salt
  • amine
  • organooxygen compound