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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:13 UTC
Update Date2025-03-25 00:50:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181306
Frequency0.5
Structure
Chemical FormulaC13H14O7
Molecular Mass282.074
SMILESO=C(O)CCc1ccc(CC(=O)O)c(O)c1CC(=O)O
InChI KeyZMWZELSRCDIXEG-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-4-unsubstituted benzenoids
  • 2(hydroxyphenyl)acetic acids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • organic oxides
  • tricarboxylic acids and derivatives
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • tricarboxylic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • 2(hydroxyphenyl)acetic acid