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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:09 UTC
Update Date2025-03-21 18:32:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00093608
Frequency29.8
Structure
Chemical FormulaC15H10O5
Molecular Mass270.0528
SMILESCC(=O)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc12
InChI KeyBVEKDUJRZIAEKA-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
  • 2-benzopyrans
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • carbonyl group
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • isocoumarin
  • carboxylic acid derivative
  • coumarin
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • carboxylic acid ester
  • 2-benzopyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound