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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:21 UTC
Update Date2025-03-25 01:01:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250219
Frequency0.5
Structure
Chemical FormulaC10H6O8S
Molecular Mass285.9783
SMILESO=C(O)c1cc2cc(OS(=O)(=O)O)ccc2c(=O)o1
InChI KeyGKYBEFCABGUPCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisocoumarins and derivatives
Subclass isocoumarins and derivatives
Direct Parent isocoumarins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-benzopyrans
  • arylsulfates
  • benzenoids
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • benzopyran
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • isocoumarin
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • 2-benzopyran
  • pyranone
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • sulfuric acid ester
  • organoheterocyclic compound
  • organooxygen compound