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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:21 UTC
Update Date2025-03-25 00:47:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158781
Frequency0.5
Structure
Chemical FormulaC19H13O5+
Molecular Mass321.0758
SMILESOc1ccc2c(O)cc3[o+]c(-c4ccc(O)c(O)c4)ccc3c2c1
InChI KeyKEXLSCVNXQIOEE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3'-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • anthocyanidins
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • naphthols and derivatives
  • naphthopyrans
  • organic cations
  • organooxygen compounds
  • oxacyclic compounds
  • pyrans
    • Substituents
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic heteropolycyclic compound
  • anthocyanidin
  • organic cation
  • 2-naphthol
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • naphthopyran
  • naphthalene
  • organic oxygen compound
  • pyran
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • 1-naphthol
  • benzenoid
  • organooxygen compound