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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:42 UTC
Update Date2025-03-25 01:01:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251006
Frequency0.5
Structure
Chemical FormulaC13H12O4
Molecular Mass232.0736
SMILESO=C(O)CCCC=C1C(=O)Oc2ccccc21
InChI KeyJFMOLGSGIZEDHE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofuranones
Direct Parent benzofuranones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • coumarans
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acyls
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • lactones
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • enoate ester
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • benzofuranone
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • benzenoid
  • coumaran
  • organooxygen compound