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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:16 UTC
Update Date2025-03-25 00:49:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176844
Frequency0.5
Structure
Chemical FormulaC12H8O5
Molecular Mass232.0372
SMILESCOc1cc2c(c3c1C(=O)O3)C1C=COC1O2
InChI KeyWQYAZNJEXXVURV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • carboxylic acid esters
  • dihydrofurans
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound
  • dihydrofuran