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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:00 UTC
Update Date2025-03-25 00:49:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176218
Frequency0.5
Structure
Chemical FormulaC14H12O4
Molecular Mass244.0736
SMILESOc1cc(O)c2c(c1)OOC(c1ccccc1)C2
InChI KeyKUWUPRIVCPKNBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,2-dioxanes
Direct Parent benzo-1,2-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organooxygen compounds
  • ortho dioxins
  • oxacyclic compounds
  • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • ortho-dioxin
  • benzo-1,2-dioxane
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound