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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:56 UTC
Update Date2025-03-21 18:39:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124461
Frequency20.7
Structure
Chemical FormulaC6H8O4S
Molecular Mass176.0143
SMILESCSCC1OC(=O)C(O)=C1O
InChI KeyLMFJDQBIDOPSMK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • dialkylthioethers
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • sulfenyl compounds
  • vinylogous acids
    • Substituents
  • enoate ester
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • monosaccharide
  • organosulfur compound
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • vinylogous acid
  • 2-furanone
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound