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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 IDDMID02245934
Frequency0.5
Structure
Chemical FormulaC26H28O13
Molecular Mass548.153
SMILESCC1OC(OCC2OC(Oc3cc(O)c4c(c3)C(=O)c3ccccc3C4=O)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyZKMBJRCAYSJUPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classanthracenes
Subclass anthraquinones
Direct Parent anthraquinones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • aryl ketones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • alcohol
  • phenol ether
  • 9,10-anthraquinone
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • oxacycle
  • vinylogous acid
  • saccharide
  • organic oxide
  • anthraquinone
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound
  • aryl ketone