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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:48 UTC
Update Date2025-03-25 00:50:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180332
Frequency0.5
Structure
Chemical FormulaC12H8O5
Molecular Mass232.0372
SMILESCOc1cc2oc(=O)c3occc3c2cc1O
InChI KeyXEMUGPSRSVVSAN-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
  • anisoles
  • furans
  • furopyrans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • furan
  • phenol ether
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • furopyran
  • angular furanocoumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound