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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:30 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159103
Frequency0.5
Structure
Chemical FormulaC24H32O13
Molecular Mass528.1843
SMILESOc1cc(O)cc(CC(O)CC(Cc2ccc(O)c(O)c2)OCOC2OC(C(O)O)C(O)C(O)C2O)c1
InChI KeyCVBNFUKIKDZFSX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • carbonyl hydrates
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound