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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:58 UTC
Update Date2025-03-25 00:59:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235566
Frequency0.5
Structure
Chemical FormulaC20H28O15
Molecular Mass508.1428
SMILESOCC1OC(OC2(OC3OC(CO)C(O)C(O)C3O)Cc3c(O)cc(O)cc3O2)C(O)C(O)C1O
InChI KeyWWMLFUSNAKQQGE-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
  • carboxylic acid orthoesters
  • hydrocarbon derivatives
  • monosaccharides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • ortho ester
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid orthoester
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • coumaran
  • organooxygen compound