Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:42 UTC
Update Date2025-03-25 00:53:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202830
Frequency0.5
Structure
Chemical FormulaC7H8O5S
Molecular Mass204.0092
SMILESO=C(O)CSCC1C=C(O)C(=O)O1
InChI KeyDRUSMFWAADWSCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • sulfenyl compounds
  • Substituents
  • enoate ester
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • organic oxygen compound
  • thioether
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound