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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:07 UTC
Update Date2025-03-25 00:57:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224708
Frequency0.5
Structure
Chemical FormulaC15H12NO3+
Molecular Mass254.0812
SMILESNc1cc2ccc(O)cc2[o+]c1-c1ccc(O)cc1
InChI KeyWLZFEFQICCGTIL-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 7-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • anthocyanidins
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
    • Substituents
  • monocyclic benzene moiety
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 7-hydroxyflavonoid
  • organonitrogen compound
  • organopnictogen compound
  • 4'-hydroxyflavonoid
  • anthocyanidin
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • organic cation
  • amine
  • organoheterocyclic compound
  • organooxygen compound