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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:17 UTC
Update Date2025-03-25 00:46:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158622
Frequency0.5
Structure
Chemical FormulaC21H26O13
Molecular Mass486.1373
SMILESO=c1oc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc2ccccc12
InChI KeyIRFFGZVOLAADSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisocoumarins and derivatives
Subclass isocoumarins and derivatives
Direct Parent isocoumarins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-benzopyrans
  • acetals
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyranones and derivatives
  • secondary alcohols
    • Substituents
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • monosaccharide
  • isocoumarin
  • lactone
  • oxacycle
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • pyran
  • 2-benzopyran
  • pyranone
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound