Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:35:55 UTC
Update Date2025-03-21 17:57:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00005962
Frequency880.8
Structure
Chemical FormulaC7H8O6S
Molecular Mass220.0042
SMILESCc1ccc(O)c(OS(=O)(=O)O)c1O
InChI KeyRGMBENQVKASSTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • ortho cresols
  • para cresols
  • phenoxy compounds
  • resorcinols
  • sulfuric acid monoesters
  • toluenes
  • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • aromatic homomonocyclic compound
  • phenylsulfate
  • organic oxide
  • organic oxygen compound
  • p-cresol
  • o-cresol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • toluene
  • organooxygen compound