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LUMO delocalization map of (A) oxidized quercetin and (B) oxidized monoHER. In oxidized monoHER, the rutin group at C3-O and the ethoxygroup at C7-O were replaced by methyl groups and for quercetin, the most abundant tautomer (>99%) was used. The LUMO of oxidized monoHER is localized in the B ring and part of the C ring, while the LUMO of oxidized quercetin is distributed over all the phenolic rings (rings A, C and B).
