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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:24 UTC
Update Date2025-03-21 18:29:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00077528
Frequency37.8
Structure
Chemical FormulaC9H10O4
Molecular Mass182.0579
SMILESOCC(O)c1ccc2c(c1)OCO2
InChI KeyNBUXUQRAJGLTOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • acetals
  • aromatic alcohols
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organooxygen compound
  • benzodioxole
  • 1,2-diol