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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:07 UTC
Update Date2025-03-25 00:53:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199246
Frequency0.5
Structure
Chemical FormulaC9H10O4
Molecular Mass182.0579
SMILESOCC1COc2ccc(O)cc2O1
InChI KeyRGLXNLMFAFFHKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • para dioxins
  • primary alcohols
    • Substituents
  • alcohol
  • benzo-1,4-dioxane
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organooxygen compound