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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:10 UTC
Update Date2025-03-21 18:38:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120364
Frequency21.6
Structure
Chemical FormulaC16H13O5+
Molecular Mass285.0758
SMILESCOc1cc(O)c2cc(O)c(-c3ccc(O)cc3)[o+]c2c1
InChI KeyHBPPOLRDPWHIJC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 7-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
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • anthocyanidins
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • 3-hydroxyflavonoid
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • anthocyanidin
  • organic cation
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • anisole
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 7-methoxyflavonoid-skeleton
  • organooxygen compound