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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:09 UTC
Update Date2025-03-25 00:59:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240456
Frequency0.5
Structure
Chemical FormulaC11H6O5
Molecular Mass218.0215
SMILESO=C1Oc2c3ccc(O)c2C1=C(O)C=C3O
InChI KeyXHNPLOCKNVXUKP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofuranones
Direct Parent benzofuranones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • carbonyl compounds
  • coumarans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • enoate ester
  • carbonyl group
  • benzofuranone
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • vinylogous acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound