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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:28 UTC
Update Date2025-03-21 18:33:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096736
Frequency28.6
Structure
Chemical FormulaC13H10O5
Molecular Mass246.0528
SMILESOc1ccc(-c2cc3c(cc2O)OCO3)cc1O
InChI KeyWTUAXXMVDFTBHX-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole