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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:45 UTC
Update Date2025-03-25 00:49:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177960
Frequency0.5
Structure
Chemical FormulaC13H12O6
Molecular Mass264.0634
SMILESCOC(=O)CCc1cc(=O)oc2cc(O)cc(O)c12
InChI KeyUAHGVGBRULSDRL-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzenoids
  • carbonyl compounds
  • coumarins and derivatives
  • fatty acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • fatty acyl
  • carbonyl group
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • methyl ester
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • 7-hydroxycoumarin
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound