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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:22 UTC
Update Date2025-03-25 00:47:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158819
Frequency0.5
Structure
Chemical FormulaC20H22O9
Molecular Mass406.1264
SMILESOc1ccc(C2COc3c(O)cc(OC4CC(O)C(O)C(O)C4O)cc3O2)cc1
InChI KeyAXSIJGQONFLVBP-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • benzo-1,4-dioxanes
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • oxacyclic compounds
  • para dioxins
  • phenol ethers
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • alcohol
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • cyclohexanol
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound