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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:43 UTC
Update Date2025-03-25 00:46:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157368
Frequency0.5
Structure
Chemical FormulaC11H9NO5
Molecular Mass235.0481
SMILESO=C1NC(c2ccccc2C(=O)O)C(O)=C1O
InChI KeyNDLMWQIWXIBNTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • azacyclic compounds
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • azacycle
  • benzoic acid or derivatives
  • 2-phenylpyrroline
  • carboxamide group
  • secondary carboxylic acid amide
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound