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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:38 UTC
Update Date2025-03-25 00:47:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163877
Frequency0.5
Structure
Chemical FormulaC9H12O3
Molecular Mass168.0786
SMILESCC1=C2CCC(O)CC2OC1=O
InChI KeyKGKUZTBHBBEQQC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • cyclic alcohols and derivatives
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • cyclic alcohol
  • carboxylic acid derivative
  • lactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound