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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:07 UTC
Update Date2025-03-25 00:47:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162700
Frequency0.5
Structure
Chemical FormulaC16H19NO
Molecular Mass241.1467
SMILESC=CC1=C(C)C(=O)NC1c1c(C)ccc(C)c1C
InChI KeyJPXPPCNVQLKURT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • 2-phenylpyrroline
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound