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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:04 UTC
Update Date2025-03-21 18:38:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120116
Frequency21.6
Structure
Chemical FormulaC20H13O6+
Molecular Mass349.0707
SMILESO=c1cc(-c2ccc(O)cc2)oc2[o+]c(-c3ccc(O)cc3)cc(O)c12
InChI KeyVKSHEQIPGVVMGM-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • phenol
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound