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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:00 UTC
Update Date2025-03-21 18:07:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00066939
Frequency45.5
Structure
Chemical FormulaC15H12O5
Molecular Mass272.0685
SMILESCOc1ccc2c(c1)oc(=O)c1cc(OC)c(O)cc12
InChI KeyPFQWVBHVOUBULO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarins and derivatives
Direct Parent coumarins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • phenol ether
  • benzopyran
  • ether
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • isocoumarin
  • coumarin
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • anisole
  • 2-benzopyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound