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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:33 UTC
Update Date2025-03-25 00:51:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186600
Frequency0.5
Structure
Chemical FormulaC15H12NO4+
Molecular Mass270.0761
SMILESNc1ccc(-c2ccc3c(O)cc(O)cc3[o+]2)cc1O
InChI KeyXSQKLHYLYJMCRR-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
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
    • Substituents
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • anthocyanidin
  • organic cation
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound