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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:37 UTC
Update Date2025-03-25 00:47:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163822
Frequency0.5
Structure
Chemical FormulaC15H20O8
Molecular Mass328.1158
SMILESCC1(C)OC(C2Cc3c(O)cc(O)cc3OO2)C(O)C(O)C1O
InChI KeyBSUYEZNZGGDULU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,2-dioxanes
Direct Parent benzo-1,2-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • ortho dioxins
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • saccharide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • ortho-dioxin
  • benzo-1,2-dioxane
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • organooxygen compound