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Record Information
HMDB Statusexpected
Creation Date2024-02-21 01:10:38 UTC
Update Date2025-03-21 19:05:55 UTC
HMDB IDHMDB0041474
Metabolite Identification
DeepMet IDDMID00228741
Namexi-5-Isopropyl-2(5H)-furanone
Frequency9.4
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESCC(C)C1C=CC(=O)O1
InChI KeyLWFKYUIZWLTJCA-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
    • Substituents
  • enoate ester
  • 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
  • organooxygen compound