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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:22 UTC
Update Date2025-03-21 18:06:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00060688
Frequency51.5
Structure
Chemical FormulaC25H28O12
Molecular Mass520.1581
SMILESCC1OC(OCC2OC(Oc3ccc4c(c3)oc(=O)c3ccccc34)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyFXTNKSLAPVXPCZ-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
  • 2-benzopyrans
  • acetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyranones and derivatives
  • secondary alcohols
    • Substituents
  • phenol ether
  • 1-benzopyran
  • monosaccharide
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • isocoumarin
  • coumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • 2-benzopyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound