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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:29 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159071
Frequency0.5
Structure
Chemical FormulaC21H22O11
Molecular Mass450.1162
SMILESOCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c23)C(O)C(O)C(O)C1O
InChI KeyGAWSBMPVANMLOS-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
  • benzene and substituted derivatives
  • benzofurans
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxepanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • furan
  • monocyclic benzene moiety
  • benzofuran
  • 2-arylbenzofuran flavonoid
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxepane
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound