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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:01 UTC
Update Date2025-03-25 00:57:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226680
Frequency0.5
Structure
Chemical FormulaC16H16O4
Molecular Mass272.1049
SMILESCC(O)C(c1ccc(O)cc1)c1ccc2c(c1)OCO2
InChI KeyALQGBCLCZBJTDC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • phenylpropanes
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenylpropane
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole