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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:03 UTC
Update Date2025-03-25 00:54:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203658
Frequency0.5
Structure
Chemical FormulaC14H14O5
Molecular Mass262.0841
SMILESO=C(O)CCC1=C(O)C(=O)OC1Cc1ccccc1
InChI KeyLLXIEBDCVPPYTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • enoate ester
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound