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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:46 UTC
Update Date2025-03-25 00:53:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202962
Frequency0.5
Structure
Chemical FormulaC4H6O6S
Molecular Mass181.9885
SMILESO=C1COCC1OS(=O)(=O)O
InChI KeyIFCRKUVTBYZWLS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • 3-furanone
  • organooxygen compound