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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:27 UTC
Update Date2025-03-21 18:02:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00039582
Frequency87.8
Structure
Chemical FormulaC16H12O5
Molecular Mass284.0685
SMILESCOc1cc2c(c3oc(=O)c4c(c13)CCC4=O)CCC2=O
InChI KeySWUFMBDNUANXOS-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
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indanones
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • Substituents
  • phenol ether
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • alkyl aryl ether
  • ketone
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • indanone
  • coumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • indane
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone