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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:16:15 UTC
Update Date2025-03-24 20:41:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01529215
Frequency0.8
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1CC(=O)C(C)(O)O1
InChI KeyFSMLCELNJQFVTC-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
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • tetrahydrofuran
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acyloin
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound