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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:25 UTC
Update Date2025-03-25 00:46:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156747
Frequency0.5
Structure
Chemical FormulaC11H10O5
Molecular Mass222.0528
SMILESO=C1CCC(C(=O)c2c(O)cccc2O)O1
InChI KeyNWDBSCOGZOQGBI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha-acyloxy ketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • resorcinols
  • tetrahydrofurans
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • alpha-acyloxy ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • resorcinol
  • lactone
  • organic oxide
  • organoheterocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone