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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:37 UTC
Update Date2025-03-21 18:28:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073236
Frequency40.7
Structure
Chemical FormulaC10H8O4
Molecular Mass192.0423
SMILESCOc1cc(=O)oc2cc(O)ccc12
InChI KeyRZNHAJPLNGBHCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass hydroxycoumarins
Direct Parent 7-hydroxycoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous esters
    • Substituents
  • ether
  • benzopyran
  • 7-hydroxycoumarin
  • 1-benzopyran
  • vinylogous ester
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound