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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:12 UTC
Update Date2025-03-25 00:53:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201720
Frequency0.5
Structure
Chemical FormulaC16H13O4+
Molecular Mass269.0808
SMILESCc1ccc(-c2ccc3c(O)cc(O)cc3[o+]2)cc1O
InChI KeyLBVKRFZFJDXYJU-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
  • 7-hydroxyflavonoids
  • anthocyanidins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organooxygen compounds
  • ortho cresols
  • oxacyclic compounds
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 7-hydroxyflavonoid
  • o-cresol
  • anthocyanidin
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • toluene
  • organoheterocyclic compound
  • organooxygen compound