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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:29:09 UTC
Update Date2025-03-21 23:18:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00696158
Frequency2.2
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESCC1=C(C)C(=O)C(C)O1
InChI KeyNXBNZVDXFIKPIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous esters
    • Substituents
  • carbonyl group
  • vinylogous ester
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound