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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:48 UTC
Update Date2025-03-25 00:46:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157560
Frequency0.5
Structure
Chemical FormulaC12H14O6
Molecular Mass254.079
SMILESO=C(O)CCOc1ccc(O)cc1CCC(=O)O
InChI KeyIBDMFKORAMSDTD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass 3-phenoxypropionic acids
Direct Parent 3-phenoxypropionic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
  • phenylpropanoic acids
    • Substituents
  • phenol ether
  • 4-alkoxyphenol
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • 3-phenoxypropionic acid
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound