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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:13 UTC
Update Date2025-03-21 18:39:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125144
Frequency20.5
Structure
Chemical FormulaC14H18O6
Molecular Mass282.1103
SMILESO=C(CCC(O)Cc1ccccc1)OCC(O)C(=O)O
InChI KeyLHGUEVYYLMRMKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent sugar acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • hydroxy acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • glyceric_acid
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid