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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:27 UTC
Update Date2025-03-25 00:57:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225409
Frequency0.5
Structure
Chemical FormulaC10H11NO6S
Molecular Mass273.0307
SMILESCC(=O)Nc1ccc2c(c1)CC(OS(=O)(=O)O)O2
InChI KeyUFOUWQXUEHHKBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • alkyl sulfates
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • n-acetylarylamine
  • n-arylamide
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • coumaran
  • acetamide
  • organic sulfuric acid or derivatives
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound