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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:02 UTC
Update Date2025-03-25 00:55:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02215264
Frequency0.5
Structure
Chemical FormulaC13H16O4S
Molecular Mass268.0769
SMILESCC1=CCc2ccc(OS(=O)(=O)O)cc2C1(C)C
InChI KeyABCPYKUOXCJRCQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • arylsulfates
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aromatic homopolycyclic compound
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • sulfuric acid ester
  • organooxygen compound