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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:50 UTC
Update Date2025-03-25 00:58:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230626
Frequency0.5
Structure
Chemical FormulaC10H11NO6S
Molecular Mass273.0307
SMILESCN1C(=O)C(OS(=O)(=O)O)C(O)c2ccccc21
InChI KeyYUZMAAJSXIQMOC-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
  • alkyl sulfates
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroquinolines
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • sulfuric acid monoesters
  • tertiary carboxylic acid amides
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • lactam
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • tetrahydroquinoline
  • alcohol
  • tetrahydroquinolone
  • organic sulfuric acid or derivatives
  • azacycle
  • carboxamide group
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound