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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:21 UTC
Update Date2025-03-21 18:38:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118505
Frequency22.0
Structure
Chemical FormulaC14H15NO2
Molecular Mass229.1103
SMILESO=C1C(Cc2ccccc2)C(=O)N2CCCC12
InChI KeyKYJKRVCPMJDVKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolizidines
Subclass pyrrolizidinones
Direct Parent pyrrolizidinones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • pyrrolidine-3-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • 3-pyrrolidone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • pyrrolizidinone
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound