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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:45 UTC
Update Date2025-03-25 01:01:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251144
Frequency0.5
Structure
Chemical FormulaC17H20O6
Molecular Mass320.126
SMILESOCC1OC(O)C(OCc2ccc3ccccc3c2)C(O)C1O
InChI KeyKOBGSVWRWYTIBI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • saccharide
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound