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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:18 UTC
Update Date2025-03-21 18:32:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091508
Frequency30.6
Structure
Chemical FormulaC22H22O6
Molecular Mass382.1416
SMILESCC1C(Oc2ccc3c(c2)oc(=O)c2ccccc23)OC(C(=O)O)C(C)C1C
InChI KeyWYNDTDKKAPVTCG-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
  • 2-benzopyrans
  • acetals
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • pyranones and derivatives
    • Substituents
  • phenol ether
  • carbonyl group
  • carboxylic acid
  • 1-benzopyran
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • organoheterocyclic compound
  • benzopyran
  • pyran carboxylic acid or derivatives
  • heteroaromatic compound
  • isocoumarin
  • coumarin
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound