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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:21 UTC
Update Date2025-03-21 18:36:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111191
Frequency23.9
Structure
Chemical FormulaC10H10O8S
Molecular Mass290.0096
SMILESO=C1OCC(Cc2ccc(O)c(OS(=O)(=O)O)c2)O1
InChI KeyHIMXWSAVGPOFPD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonic acid diesters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • meta-dioxolane
  • sulfuric acid monoester
  • carbonyl group
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • carbonic acid diester
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenylsulfate
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organoheterocyclic compound
  • organooxygen compound