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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:20 UTC
Update Date2025-03-21 18:31:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086871
Frequency32.8
Structure
Chemical FormulaC11H11NO5
Molecular Mass237.0637
SMILESO=C(O)CC1CC(=O)Nc2cc(O)c(O)cc21
InChI KeyFFEPUCVRNABFHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolones and derivatives
Direct Parent hydroquinolones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroquinolines
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • tetrahydroquinolone
  • carbonyl group
  • lactam
  • carboxylic acid
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • tetrahydroquinoline
  • organooxygen compound