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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:56 UTC
Update Date2025-03-25 01:01:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249235
Frequency0.5
Structure
Chemical FormulaC16H13O8+
Molecular Mass333.0605
SMILESCOc1cc(-c2c(O)c(=O)c3c(O)cc(O)cc3[o+]2O)ccc1O
InChI KeyVKRYLIRISQXBLJ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 3'-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • anthocyanidins
  • aryl ketones
  • chromones
  • flavones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic cations
  • organic hydroperoxides
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • 3-hydroxyflavonoid
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • hydroperoxide
  • alkyl aryl ether
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • anthocyanidin
  • organic cation
  • flavone
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone