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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:26 UTC
Update Date2025-03-21 18:36:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108985
Frequency24.6
Structure
Chemical FormulaC19H18O5
Molecular Mass326.1154
SMILESOc1ccc(C2CC3C(c4ccc5c(c4)OCO5)OCC23)cc1O
InChI KeyGITPVQOLDAWQNE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxepanes
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • oxepane
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole