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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:49 UTC
Update Date2025-03-25 00:52:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196213
Frequency0.5
Structure
Chemical FormulaC18H14O5
Molecular Mass310.0841
SMILESCC1=CC2c3c(cc(O)c4c5c(c(=O)oc34)C(=O)CC5)OC2C1
InChI KeyXSYFHRXXNIBEQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass furanocoumarins
Direct Parent angular furanocoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzenoids
  • coumarans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • coumaran
  • benzopyran
  • heteroaromatic compound
  • angular furanocoumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone