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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:09 UTC
Update Date2025-03-25 00:58:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233643
Frequency0.5
Structure
Chemical FormulaC21H26O13
Molecular Mass486.1373
SMILESCC1OC(OCC2OC(Oc3cc(O)c4oc(=O)ccc4c3)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeySJADNLIWMVXFBE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarin glycosides
Direct Parent coumarin glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyranones and derivatives
  • secondary alcohols
    • Substituents
  • phenol ether
  • coumarin-6-o-glycoside
  • coumarin o-glycoside
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound