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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:19 UTC
Update Date2025-03-25 01:00:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02243156
Frequency0.5
Structure
Chemical FormulaC20H24N2O4
Molecular Mass356.1736
SMILESC=CC1=C(C)C(=CC2=NC(=CC(C)(C)O)C(CCC(=O)O)=C2C)NC1=O
InChI KeyZPWXTWJYACTEJQ-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
  • tertiary alcohols
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • imine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound