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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:47 UTC
Update Date2025-03-25 00:48:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166552
Frequency0.5
Structure
Chemical FormulaC16H20O7
Molecular Mass324.1209
SMILESCC(=O)OCC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C(C)C
InChI KeyWUAMFGXTZIOORH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha-acyloxy ketones
  • benzene and substituted derivatives
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • alpha-acyloxy ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound