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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:40 UTC
Update Date2025-03-21 18:38:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121553
Frequency21.3
Structure
Chemical FormulaC15H12O7
Molecular Mass304.0583
SMILESO=C1CC(O)(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21
InChI KeyWBHCYFXEVWJBEE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 5-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • flavans
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • hemiacetal
  • organoheterocyclic compound
  • benzopyran
  • 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