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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:30 UTC
Update Date2025-03-25 00:46:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154689
Frequency0.5
Structure
Chemical FormulaC22H24O11
Molecular Mass464.1319
SMILESCOc1ccc(C2COc3c(O)cc(O)cc3C2=O)cc1OC1OC(CO)C(O)C(O)C1O
InChI KeyLDSMDESMXXQYNA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavonoid o-glycosides
Direct Parent isoflavonoid o-glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-o-methylated isoflavonoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • chromones
  • hydrocarbon derivatives
  • isoflavanols
  • isoflavanones
  • methoxybenzenes
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • isoflavanone
  • ketone
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • 4p-methoxyisoflavonoid
  • alcohol
  • isoflavan
  • benzopyran
  • isoflavonoid-3p-o-glycoside
  • isoflavonoid o-glycoside
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone