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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:01 UTC
Update Date2025-03-25 00:58:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233328
Frequency0.5
Structure
Chemical FormulaC12H16O4
Molecular Mass224.1049
SMILESCC(Oc1ccc(O)c(C(C)C)c1)C(=O)O
InChI KeyCLALCLBIEDGKQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass 2-phenoxypropionic acids
Direct Parent 2-phenoxypropionic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • cumenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
  • phenoxyacetic acid derivatives
  • phenylpropanes
    • Substituents
  • phenol ether
  • phenoxyacetate
  • 4-alkoxyphenol
  • carbonyl group
  • ether
  • 2-phenoxypropionic acid
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • cumene
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound