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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:01 UTC
Update Date2025-03-21 18:02:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038588
Frequency90.6
Structure
Chemical FormulaC16H13O4+
Molecular Mass269.0808
SMILESCOc1ccc(-c2ccc3c(O)cc(O)cc3[o+]2)cc1
InChI KeyGHUGOMATNIRAJN-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 4'-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • anthocyanidins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic cations
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • 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
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • 4p-methoxyflavonoid-skeleton
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound