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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:31 UTC
Update Date2025-03-25 00:46:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154736
Frequency0.5
Structure
Chemical FormulaC11H10O6S
Molecular Mass270.0198
SMILESCOc1cc2ccccc2c(O)c1OS(=O)(=O)O
InChI KeyVJSAVDOHURNEOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • 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
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • 1-naphthol
  • arylsulfate
  • sulfuric acid ester
  • organooxygen compound