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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:12 UTC
Update Date2025-03-25 00:57:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222645
Frequency0.5
Structure
Chemical FormulaC20H20O10S
Molecular Mass452.0777
SMILESO=S(=O)(O)OCC1OC(Oc2ccc3c(c2)cc(O)c2ccccc23)C(O)C(O)C1O
InChI KeyFJGDLJHXOFHKFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrols
Direct Parent phenanthrols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl sulfates
  • hydrocarbon derivatives
  • monosaccharides
  • naphthols and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • sulfuric acid monoester
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • oxane
  • 2-naphthol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • phenanthrol
  • oxacycle
  • naphthalene
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • 1-naphthol
  • sulfuric acid ester
  • organooxygen compound