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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:03 UTC
Update Date2025-03-21 17:57:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00008594
Frequency569.2
Structure
Chemical FormulaC14H12O6
Molecular Mass276.0634
SMILESOc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CO2
InChI KeyNGTLCNCZXAXNBS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • benzo-1,4-dioxanes
  • hydrocarbon derivatives
  • oxacyclic compounds
  • para dioxins
    • Substituents
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound