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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:35 UTC
Update Date2025-03-21 18:28:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073156
Frequency40.8
Structure
Chemical FormulaC14H6O8
Molecular Mass302.0063
SMILESO=C1Oc2c(O)c(O)cc3c2c(=O)oc2c(O)c(O)cc1c23
InChI KeyLLTALLFJYRKRQA-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
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • 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