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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:19 UTC
Update Date2025-03-25 00:46:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154258
Frequency0.5
Structure
Chemical FormulaC16H12O7
Molecular Mass316.0583
SMILESCOc1cc(O)c2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O
InChI KeyZRMLLQHPKSRDRL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 6-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 8-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • benzene and substituted derivatives
  • chromones
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • 8-hydroxyflavonoid
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 6-methoxyflavonoid-skeleton
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • anisole
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound