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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:27 UTC
Update Date2025-03-25 00:58:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02229768
Frequency0.5
Structure
Chemical FormulaC8H12O3
Molecular Mass156.0786
SMILESCCCC1(O)OC(C)=CC1=O
InChI KeyXQXUUGWJVJWYKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acyloins
  • cyclic ketones
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous esters
    • Substituents
  • carbonyl group
  • vinylogous ester
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acyloin
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound