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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:55:00 UTC
Update Date2025-03-21 18:04:25 UTC
HMDB IDHMDB0129962
Metabolite Identification
DeepMet IDDMID00050515
Name5,6,7-trihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Frequency65.0
Structure
Chemical FormulaC15H12O6
Molecular Mass288.0634
SMILESO=C1c2c(cc(O)c(O)c2O)OCC1c1ccc(O)cc1
InChI KeyNEJVHMMYJMOAPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • hydrocarbon derivatives
  • isoflavanones
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • isoflavanone
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone