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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:54 UTC
Update Date2025-03-25 00:48:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166830
Frequency0.5
Structure
Chemical FormulaC15H18O6
Molecular Mass294.1103
SMILESCC(C(=O)OC1CC(O)C(O)CC1=O)c1ccc(O)cc1
InChI KeyAIBCHLIWMVOHTH-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
  • 1,2-diols
  • alpha-acyloxy ketones
  • benzene and substituted derivatives
  • carboxylic acid esters
  • cyclic ketones
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • alpha-acyloxy ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclitol or derivatives
  • cyclic ketone
  • cyclic alcohol
  • carboxylic acid derivative
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol