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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:49 UTC
Update Date2025-03-25 00:57:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224039
Frequency0.5
Structure
Chemical FormulaC20H22O7
Molecular Mass374.1366
SMILESO=C(CCC(O)Cc1cccc(O)c1)OCOC1COc2ccccc2O1
InChI KeyOKDBYULJUFJDTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • para dioxins
  • secondary alcohols
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • alcohol
  • benzo-1,4-dioxane
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • para-dioxin
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound