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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:01 UTC
Update Date2025-03-21 18:35:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105471
Frequency25.6
Structure
Chemical FormulaC12H14O6
Molecular Mass254.079
SMILESO=C(O)CCC(O)(CC(=O)O)c1ccc(O)cc1
InChI KeyCSBAZQMYAIWPSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • benzene and substituted derivatives
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • organic oxides
  • tertiary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • fatty acyl
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • benzenoid
  • organooxygen compound