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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:17 UTC
Update Date2025-03-25 00:46:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158638
Frequency0.5
Structure
Chemical FormulaC21H26O15
Molecular Mass518.1272
SMILESO=c1oc2cc(O)cc(O)c2cc1OC1OC(COC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyADBFSAGXHJLBCX-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
  • 7-hydroxycoumarins
  • acetals
  • benzenoids
  • cyclitols and derivatives
  • cyclohexanols
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyranones and derivatives
    • Substituents
  • ether
  • coumarin o-glycoside
  • 1-benzopyran
  • coumarin-3-o-glycoside
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • dialkyl ether
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 7-hydroxycoumarin
  • heteroaromatic compound
  • cyclohexanol
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound