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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:36 UTC
Update Date2025-03-21 18:35:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106919
Frequency25.2
Structure
Chemical FormulaC20H22O10
Molecular Mass422.1213
SMILESOCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CO3)C(O)C(O)C1O
InChI KeyIQKLXSZKRJUJLM-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
  • benzene and substituted derivatives
  • benzo-1,4-dioxanes
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • para dioxins
  • phenol ethers
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • primary alcohol
  • alcohol
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound