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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:23 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179394
Frequency0.5
Structure
Chemical FormulaC11H8O6
Molecular Mass236.0321
SMILESCOc1ccc2oc(=O)c(C(=O)O)c(O)c2c1
InChI KeyLCCWELPKVNNCHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass hydroxycoumarins
Direct Parent 4-hydroxycoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-carboxy-2-haloaromatic compounds
  • alkyl aryl ethers
  • anisoles
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • phenol ether
  • ether
  • carboxylic acid
  • 1-benzopyran
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • 1-carboxy-2-haloaromatic compound
  • organoheterocyclic compound
  • 4-hydroxycoumarin
  • benzopyran
  • heteroaromatic compound
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound