Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:26:17 UTC
Update Date2025-03-24 14:19:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00833898
Frequency1.8
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESCC1(CO)OC(=O)CC1=O
InChI KeyOUCOXXQFWSWGLL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • carboxylic acid esters
  • cyclic ketones
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • alcohol
  • carbonyl group
  • tetrahydrofuran
  • cyclic ketone
  • carboxylic acid derivative
  • gamma butyrolactone
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound