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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:21 UTC
Update Date2025-03-21 18:38:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120800
Frequency21.5
Structure
Chemical FormulaC11H12O11S2
Molecular Mass383.9821
SMILESO=C1CCC(Cc2cc(O)c(OS(=O)(=O)OS(=O)(=O)O)c(O)c2)O1
InChI KeyODKCFWDGXURMDY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrosulfates
Direct Parent organic pyrosulfates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • arylsulfates
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • resorcinols
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • organic pyrosulfate
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • resorcinol
  • lactone
  • organic oxide
  • arylsulfate
  • organoheterocyclic compound
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound