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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:39 UTC
Update Date2025-03-25 00:47:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163918
Frequency0.5
Structure
Chemical FormulaC12H20O3
Molecular Mass212.1412
SMILESCC1=C(CCC(C)O)C(=O)OC1C(C)C
InChI KeyGFGVQWMEJQUQOO-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
  • secondary 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
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound