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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:28 UTC
Update Date2025-03-25 00:59:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234354
Frequency0.5
Structure
Chemical FormulaC19H16O9
Molecular Mass388.0794
SMILESO=c1c(-c2ccc(O)c(O)c2)coc2cc(OC3OC(O)C(O)C3O)ccc12
InChI KeyICGRFVIYPDLPMM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflav-2-enes
Direct Parent isoflavones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • chromones
  • hemiacetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • pyranones and derivatives
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • hemiacetal
  • organoheterocyclic compound
  • 1,2-diol
  • isoflavone
  • alcohol
  • benzopyran
  • tetrahydrofuran
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound