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Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:14:39 UTC
Update Date2025-03-21 18:33:43 UTC
HMDB IDHMDB0126029
Metabolite Identification
DeepMet IDDMID00097193
Name5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Frequency28.4
Structure
Chemical FormulaC15H12O7
Molecular Mass304.0583
SMILESO=C1CC(c2ccc(O)c(O)c2O)Oc2cc(O)cc(O)c21
InChI KeyITFQDSRTZOTUMB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 5-unsubstituted pyrrogallols
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • chromone
  • 5-unsubstituted pyrrogallol
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • pyrogallol derivative
  • benzenetriol
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone