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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:04 UTC
Update Date2025-03-21 18:29:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00079193
Frequency36.9
Structure
Chemical FormulaC17H14O6
Molecular Mass314.079
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c(OC)c1
InChI KeyXXBKIZHPGZPESN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 2'-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-o-methylated flavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • chromones
  • dimethoxybenzenes
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • dimethoxybenzene
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • 2p-methoxyflavonoid-skeleton
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • m-dimethoxybenzene
  • pyran
  • anisole
  • 7-hydroxyflavonoid
  • 4p-methoxyflavonoid-skeleton
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound