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. 2023 Jul 10;25(11):1788–1801. doi: 10.1039/d3em00181d

Fig. 8. (A) Substance according to the original SMILES in ToxCast, sodium erythorbate. (B) The MS-ready version of the same compound, dl-ascorbic acid with salt and stereochemistry removed. (C) The compound according to the adjusted SMILES, restoring the correct stereochemistry – erythorbic acid.

Fig. 8