Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:32 UTC
Update Date2025-03-21 18:41:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133026
Frequency19.0
Structure
Chemical FormulaC12H8O4
Molecular Mass216.0423
SMILESCc1coc2c1c(=O)oc1cc(O)ccc12
InChI KeyWCFQZBAGVRAEHS-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
  • benzenoids
  • furans
  • furopyrans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • Substituents
  • furan
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • furopyran
  • angular furanocoumarin
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound