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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 IDDMID02220951
Frequency0.5
Structure
Chemical FormulaC19H18O6
Molecular Mass342.1103
SMILESO=C1CCC(Cc2cc3c(cc2O)OC(c2ccc(O)cc2)CO3)O1
InChI KeyYNBUHQLGDBXSEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • benzo-1,4-dioxanes
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • para dioxins
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • para-dioxin
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound