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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:26 UTC
Update Date2025-03-21 18:34:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099117
Frequency27.7
Structure
Chemical FormulaC11H10O5S
Molecular Mass254.0249
SMILESCOc1ccc(OS(=O)(=O)O)c2ccccc12
InChI KeyCRXBVAQSAHKPQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • arylsulfates
  • hydrocarbon derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • sulfuric acid monoester
  • ether
  • organic sulfuric acid or derivatives
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • sulfuric acid ester
  • organooxygen compound