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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:47 UTC
Update Date2025-03-25 00:53:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203024
Frequency0.5
Structure
Chemical FormulaC13H16O11S
Molecular Mass380.0413
SMILESO=C(OS(=O)(=O)O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
InChI KeyRFTDHGCYNCJOHK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • benzoyl derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • benzoyl
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • benzoic acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound