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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:28 UTC
Update Date2025-03-25 01:00:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245907
Frequency0.5
Structure
Chemical FormulaC21H30O13
Molecular Mass490.1686
SMILESCC1OC(OCC2C(O)C(O)C(O)C(OC3Cc4c(O)cc(O)cc4O3)C2O)C(O)C(O)C1O
InChI KeyYEGWCPDLNSJCNM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzenoids
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
    • Substituents
  • alcohol
  • cyclohexanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • coumaran
  • organooxygen compound