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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:36 UTC
Update Date2025-03-25 00:52:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195728
Frequency0.5
Structure
Chemical FormulaC13H18O4S
Molecular Mass270.0926
SMILESCC1Cc2ccc(OS(=O)(=O)O)cc2C(C)(C)C1
InChI KeyVFVIGKURISRONK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • arylsulfates
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • sulfuric acid monoesters
    • Substituents
  • tetralin
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aromatic homopolycyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • sulfuric acid ester
  • organooxygen compound