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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:30 UTC
Update Date2025-03-21 18:38:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121152
Frequency21.4
Structure
Chemical FormulaC19H12O5
Molecular Mass320.0685
SMILESO=c1oc2cc(Oc3ccc(O)cc3)ccc2c2ccc(O)cc12
InChI KeyZYZXHVGBXQDQLI-UHFFFAOYSA-N
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
  • 2-benzopyrans
  • diarylethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • pyranones and derivatives
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • isocoumarin
  • coumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • 2-benzopyran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound