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| Format: | Recurso digital |
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Zenodo
2026
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| Online Access: | https://doi.org/10.5281/zenodo.18730910 |
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Table of Contents:
- <p>Essential oils (EOs) display a range of bioactivities against several animal and plant pathogens. EOs are complex plant volatile mixtures commonly extracted through hydro-destilation and analyzed through gas chromatography-mass spectrometry (GC-MS). Few datasets exist with manually curated plant volatiles with SMILES and biosynthetic classification. </p> <p>The compounds in this library were chosen as they are part of the composition of EOs analyzed through GC-MS. Some of these volatiles might occur in high percentages, whereas others might only be found in trace concentrations. </p> <p>This library has four columns with information about the name, SMILES, and biosynthetic class and subclass of these compounds. The classification system was derived from the LOTUS: Natural Products Online database. The SMILES were manually retrieved from PubChem.</p> <p>This library of plant volatiles was compiled and manually curated during 2023 by Tomás Cavaco.</p>