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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:30 UTC
Update Date2025-03-21 18:02:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00037367
Frequency94.3
Structure
Chemical FormulaC8H8O4
Molecular Mass168.0423
SMILESCOc1cc2c(cc1O)OCO2
InChI KeyYFVGAKMITMMATA-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
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole