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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:56 UTC
Update Date2025-03-21 18:36:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112591
Frequency23.6
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESOc1ccc(C2OCC3OCC32)cc1O
InChI KeyFJLGSYAKUJHJLD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,4-dioxepanes
Direct Parent 1,4-dioxepanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • oxetane
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound