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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:03 UTC
Update Date2025-03-25 00:58:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231125
Frequency0.5
Structure
Chemical FormulaC8H10O4
Molecular Mass170.0579
SMILESCCOC(=O)C1=C(C)OCC1=O
InChI KeyDLCRRDMHCZRVPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • enoate esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous esters
    • Substituents
  • enoate ester
  • carbonyl group
  • vinylogous ester
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound