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The theoretical 2 H-distribution in the aromatic ring of phenylpropanoids can be predicted from that of their precursors – erythrose-4-phosphate, phosphoenolpyruvate and NADPH – and by invoking the mechanism of the NIH-shift and implied deuterium isotope effects. For each position in the non-oxygenated ring, the predicted natural 2 H-abundance is in excellent agreement with experimental...
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