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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:44 UTC
Update Date2025-03-21 18:40:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128819
Frequency19.8
Structure
Chemical FormulaC10H8O3
Molecular Mass176.0473
SMILESCc1cc(O)cc2ccc(=O)oc12
InChI KeyMLLUCAPSOUNRRI-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • Substituents
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • coumarin
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound