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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:45 UTC
Update Date2025-03-25 00:47:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164127
Frequency0.5
Structure
Chemical FormulaC12H11NO2
Molecular Mass201.079
SMILESCC1=C(C=O)C(=O)NC1c1ccccc1
InChI KeyKSTQSABTNBSEQJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrroline carboxylic acids and derivatives
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • pyrroline carboxylic acid or derivatives
  • aldehyde
  • 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