Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:29:13 UTC
Update Date2025-03-21 20:57:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00412188
Frequency4.4
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESO=C1OC(CO)C=C1CO
InChI KeyJLCUXUAUBJPXDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound