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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:10 UTC
Update Date2025-03-25 00:50:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178906
Frequency0.5
Structure
Chemical FormulaC23H22O9
Molecular Mass442.1264
SMILESCOc1ccc(C2Oc3cc(O)cc(O)c3OC2C(O)c2ccc(O)c(OC)c2)cc1O
InChI KeyXUDUBUGNVLNVIR-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
  • anisoles
  • aromatic alcohols
  • benzo-1,4-dioxanes
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • oxacyclic compounds
  • para dioxins
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • alcohol
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound