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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:06 UTC
Update Date2025-03-25 00:58:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233517
Frequency0.5
Structure
Chemical FormulaC27H34O14
Molecular Mass582.1949
SMILESCOc1ccc(C2COc3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)cc1
InChI KeyINBUQYZTRTUWNB-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
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzo-1,4-dioxanes
  • hydrocarbon derivatives
  • methoxybenzenes
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • para dioxins
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • 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
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound