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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:17 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204188
Frequency0.5
Structure
Chemical FormulaC18H18O7
Molecular Mass346.1053
SMILESOc1ccc(C2CC3OC(c4ccc(O)c(O)c4)OCC3O2)cc1O
InChI KeyWTUPCCSWZNUHQH-UHFFFAOYSA-N
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
  • 1,3-dioxanes
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • meta-dioxane
  • organoheterocyclic compound
  • organooxygen compound