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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:48 UTC
Update Date2025-03-25 00:51:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184823
Frequency0.5
Structure
Chemical FormulaC14H18O8
Molecular Mass314.1002
SMILESOCC1OC(Oc2ccc3c(c2)OCCO3)C(O)C(O)C1O
InChI KeyWGWYGFMKXWCJMG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • para dioxins
  • phenol ethers
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • benzo-1,4-dioxane
  • phenol ether
  • ether
  • monosaccharide
  • alkyl aryl ether
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • para-dioxin
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • primary alcohol
  • organooxygen compound