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. 2021 Aug 30;12:693739. doi: 10.3389/fpls.2021.693739

TABLE 1.

Summary of GNPS molecular network annotations and class-level compound richness.

Chemical classa Examples of class known from Piper spp. Total compound richnessb Fruit-specific compound richnessb,d,e Leaf-specific compound richnessb,d,e
Benzene and substituted derivatives Cyanogenic benzoates, non-prenylated benzoic acids 75 5 0
Carboxylic acids and derivatives Amides, chromenes, kavalactones 122 25* 1
Flavonoids Flavonoids 104 3 0
Organo-oxygen compounds Oxygenated or glycosidic derivatives of other classes 65 5 0
Otherc Amides, chalcones, chromenes, imides 37 4 0
Prenol lipids Chalcones, prenylated benzoic acids, neryl catechol diols, terpenes 124 6* 0
Unknown 179 14* 1
Totalf 706 62* 2

aChemical classes are per ClassyFire chemical taxonomy.

bCompound richness indicates the number of putative compounds, for which fragmentation spectra were obtained, that fall under the given category.

cChemical classes which represented ≤ 1% of all annotated compounds were categorized as “Other.”

dA compound was labeled as fruit or leaf-specific if it was detected only in that organ within the 12 focal Piper species.

eAsterisks indicate statistical support (P < 0.05) for differences between fruit-specific and leaf-specific richness (binomial test with probability = 0.5).

fRichness data shown represent the set of compounds for which fragmentation spectra were obtained in tandem MS analysis, a subset of the total number of compounds detected (Figure 1).