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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:28 UTC
Update Date2025-03-25 00:56:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220952
Frequency0.5
Structure
Chemical FormulaC13H12O4
Molecular Mass232.0736
SMILESO=C1CCC(Cc2cc3cc(O)ccc3o2)O1
InChI KeyWIYGFINYXRLNFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofurans
Direct Parent benzofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • furans
  • gamma butyrolactones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • furan
  • carbonyl group
  • benzofuran
  • tetrahydrofuran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound