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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:56 UTC
Update Date2025-03-25 00:46:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157868
Frequency0.5
Structure
Chemical FormulaC16H11O6+
Molecular Mass299.055
SMILESO=C(O)c1c(-c2ccc(O)cc2)[o+]c2cc(O)ccc2c1O
InChI KeyINVRXNCSWYMJQA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 4-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • anthocyanidins
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • 4-hydroxyflavonoid
  • aromatic heteropolycyclic compound
  • anthocyanidin
  • 1-carboxy-2-haloaromatic compound
  • organic cation
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound