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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:12 UTC
Update Date2025-03-25 00:58:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231458
Frequency0.5
Structure
Chemical FormulaC23H28O14
Molecular Mass528.1479
SMILESCC1OC(OCC2OC(Oc3cc(=O)occ3-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyVEPHSLRUXINFFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent pyranones and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • vinylogous esters
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • vinylogous ester
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • lactone
  • oxacycle
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acetal
  • pyranone
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • organooxygen compound