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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:58 UTC
Update Date2025-03-25 00:50:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182982
Frequency0.5
Structure
Chemical FormulaC20H20O13S
Molecular Mass500.0625
SMILESO=S(=O)(O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c23)C(O)C(O)C1O
InChI KeyGJXARXBENQAVJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Class2-arylbenzofuran flavonoids
Subclass 2-arylbenzofuran flavonoids
Direct Parent 2-arylbenzofuran flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl sulfates
  • benzene and substituted derivatives
  • benzofurans
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • furan
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 2-arylbenzofuran flavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • oxane
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • benzofuran
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound