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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:01 UTC
Update Date2025-03-25 00:54:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208166
Frequency0.5
Structure
Chemical FormulaC14H18O6
Molecular Mass282.1103
SMILESCC(C=O)OC(=O)CCC(O)Cc1cc(O)cc(O)c1
InChI KeyDKDGSZZTOMIUDZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aldehydes
  • alpha-acyloxy aldehydes
  • benzene and substituted derivatives
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • resorcinol
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • alpha-acyloxy aldehyde
  • organooxygen compound