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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:16 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204165
Frequency0.5
Structure
Chemical FormulaC8H8O4
Molecular Mass168.0423
SMILESOc1cc2c(cc1O)OCOC2
InChI KeyRHGUTNISWFFFRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,3-dioxanes
Direct Parent benzo-1,3-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydrocarbon derivative
  • benzenoid
  • benzo-1,3-dioxane
  • organooxygen compound