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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:16 UTC
Update Date2025-03-25 00:46:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158599
Frequency0.5
Structure
Chemical FormulaC18H11O7+
Molecular Mass339.0499
SMILESO=c1oc2c(O)cc(O)cc2c2ccc(-c3ccc(O)c(O)c3)[o+]c12
InChI KeyISZALMRPLRYLFP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarins and derivatives
Direct Parent coumarins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic cations
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • monocyclic benzene moiety
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • coumarin
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound