Figure 3

DFT calculated NMR chemical shift values support the structural revision of scytonemin imine 2b compared to the originally reported structure 2a and another potential isomer 2c. Correlations between the experimental and calculated NMR chemical shift values for (a) originally proposed structure 2a; (b) isomeric cyclic structure 2c; and (c) reassigned structure 2b. Created in BioRender. Jeffrey, C. (2025) https://BioRender.com/u2cwejt.