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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:49 UTC
Update Date2025-03-25 00:50:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178126
Frequency0.5
Structure
Chemical FormulaC17H15O6+
Molecular Mass315.0863
SMILESOCCOc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1
InChI KeyCUYWAQGGJSGDLU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alcohols and polyols
  • alkyl aryl ethers
  • anthocyanidins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • oxacyclic compounds
  • phenol ethers
  • phenoxy 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
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound