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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:54 UTC
Update Date2025-03-21 18:41:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136123
Frequency18.4
Structure
Chemical FormulaC21H18O9
Molecular Mass414.0951
SMILESOc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C(c1ccc(O)c(O)c1)O2
InChI KeyCVOJIAOWOZECGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound