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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:01 UTC
Update Date2025-03-21 18:36:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110390
Frequency24.2
Structure
Chemical FormulaC12H10O5
Molecular Mass234.0528
SMILESCOc1cc2c(c3c1OCO3)C1C=COC1O2
InChI KeyPZILLVONLZSXOD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • coumarans
  • dihydrofurans
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • ether
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound
  • benzodioxole
  • dihydrofuran