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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:45 UTC
Update Date2025-03-25 00:53:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200728
Frequency0.5
Structure
Chemical FormulaC17H15O5+
Molecular Mass299.0914
SMILESCOc1ccc2cc(O)c(-c3ccc(O)cc3)[o+]c2c1OC
InChI KeyPEBOQNKWIIJCRY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 8-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 7-o-methylated flavonoids
  • 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
  • 8-methoxyflavonoid-skeleton
  • oxacycle
  • organic oxygen compound
  • anisole
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 7-methoxyflavonoid-skeleton
  • organooxygen compound