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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:01 UTC
Update Date2025-03-25 00:57:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222232
Frequency0.5
Structure
Chemical FormulaC22H28O13
Molecular Mass500.153
SMILESOCC1OC(OC2C(CO)OC(Oc3ccc4cc(O)cc(O)c4c3)C(O)C2O)C(O)C(O)C1O
InChI KeyXOISWGCLNMGIFS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • 1-naphthol
  • oxane
  • primary alcohol
  • 2-naphthol
  • organoheterocyclic compound
  • organooxygen compound