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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:31 UTC
Update Date2025-03-25 00:54:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209340
Frequency0.5
Structure
Chemical FormulaC8H12O5
Molecular Mass188.0685
SMILESCC1=C(O)C(=O)OC1C(C)(O)CO
InChI KeyLIEWGBCEDSZKBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol