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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:29 UTC
Update Date2025-03-25 01:00:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245922
Frequency0.5
Structure
Chemical FormulaC21H28O14
Molecular Mass504.1479
SMILESCC1OC(OCC2OC(Oc3cc(O)c4c(c3)OCC(O)C4=O)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyTVOKXINIQWUPIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent chromones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • aryl alkyl ketones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • phenol ether
  • ether
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • ketone
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • oxane
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone