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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:54 UTC
Update Date2025-03-21 18:33:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00095344
Frequency29.1
Structure
Chemical FormulaC13H12O5
Molecular Mass248.0685
SMILESO=C1OCC2C1COC2c1ccc2c(c1)OCO2
InChI KeyMUJSDHOMVUBTSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan lactones
Subclass lignan lactones
Direct Parent lignan lactones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • benzenoids
  • benzodioxoles
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • furan lignans
  • furofuran lignans
  • furofurans
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • ether
  • furofuran lignan skeleton
  • carboxylic acid derivative
  • dialkyl ether
  • lignan lactone
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • furofuran
  • organoheterocyclic compound
  • benzodioxole
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • furan lignan skeleton
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • furanoid lignan
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound