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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:43 UTC
Update Date2025-03-25 00:47:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164072
Frequency0.5
Structure
Chemical FormulaC12H11NO3
Molecular Mass217.0739
SMILESCC1=C(C)C(=O)N(c2ccc(O)cc2)C1=O
InChI KeyDRPJAKDGYUYHRW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • maleimides
  • n-substituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • carboxylic acid imide
  • organic oxide
  • maleimide
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • dicarboximide
  • benzenoid
  • organic nitrogen compound
  • carboxylic acid imide, n-substituted
  • 1-phenylpyrroline
  • organooxygen compound