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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:31 UTC
Update Date2025-03-21 18:41:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135198
Frequency18.6
Structure
Chemical FormulaC16H13O6+
Molecular Mass301.0707
SMILESCOc1cc(-c2[o+]c3c(O)cc(O)cc3cc2O)ccc1O
InChI KeyBZMJLEOUTCCJPF-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-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 6-hydroxyflavonoids
  • 8-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • anthocyanidins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic cations
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • 8-hydroxyflavonoid
  • phenol ether
  • 3-hydroxyflavonoid
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • anthocyanidin
  • organic cation
  • organoheterocyclic compound
  • benzopyran
  • 6-hydroxyflavonoid
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • oxacycle
  • organic oxygen compound
  • anisole
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound