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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:05:31 UTC
Update Date2025-03-21 18:29:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00075350
Frequency39.3
Structure
Chemical FormulaC20H20O12+2
Molecular Mass452.0944
SMILESOCC1OC(Oc2[o+]c3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O
InChI KeyWNWRDQGIWMJHEO-UHFFFAOYSA-P
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic cation
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound