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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:39 UTC
Update Date2025-03-25 00:56:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219039
Frequency0.5
Structure
Chemical FormulaC15H8O8
Molecular Mass316.0219
SMILESCOc1c(O)c2oc(=O)c3ccc(O)c4oc(=O)c(c1O)c2c43
InChI KeyOXFDISDFFOEJSI-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
  • vinylogous acids
    • Substituents
  • phenol ether
  • benzopyran
  • ether
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • isocoumarin
  • coumarin
  • lactone
  • oxacycle
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • anisole
  • 2-benzopyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound