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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:19 UTC
Update Date2025-03-21 18:33:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096391
Frequency28.7
Structure
Chemical FormulaC15H11O6+
Molecular Mass287.055
SMILESOc1cc(O)c2ccc(-c3ccc(O)c(O)c3O)[o+]c2c1
InChI KeyKOCOLIRVAVYOKT-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 5-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-unsubstituted pyrrogallols
  • 7-hydroxyflavonoids
  • anthocyanidins
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 5-unsubstituted pyrrogallol
  • aromatic heteropolycyclic compound
  • anthocyanidin
  • organic cation
  • organoheterocyclic compound
  • benzopyran
  • pyrogallol derivative
  • benzenetriol
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound