Vanillactic Acid

A presumed metabolite in man detected after oral use of eugenol. The structure of the metabolite was tentatively deduced from mass spectra only, as reference compounds were not available. [1]

Chemical Properties

Synonyms: 2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-propionic acid
PubChem Compound ID: 160637
Molecular Weight: 212.19928 [g/mol]
Molecular Formula: C10H12O5
XLogP3: 0.1
IUPAC Name: 2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
InChI: InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,
Canonical SMILES: COC1=C(C=CC(=C1)CC(C(=O)O)O)O

1. Fischer IU, von Unruh GE, Dengler HJ.; The metabolism of eugenol in man; Medizinische Universitätsklinik Bonn, FRG; Xenobiotica. 1990 Feb;20(2):209-22.; PubMed PMID: 2333717
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