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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:34:06 UTC
Update Date2025-03-21 17:56:30 UTC
HMDB IDHMDB0031609
Metabolite Identification
DeepMet IDDMID00001704
NamePhenoxyacetic acid
Frequency3523.0
Structure
Chemical FormulaC8H8O3
Molecular Mass152.0473
SMILESO=C(O)COc1ccccc1
InChI KeyLCPDWSOZIOUXRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenoxyacetic acid derivatives
Direct Parent phenoxyacetic acid derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • phenol ether
  • phenoxyacetate
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound