Glycine max (L.) Merr. (Soybean) metabolome responses to potassium availability Author Cotrim, Gustavo dos Santos Author Silva, Deivid Metzker da Author Graça, José Perez da Author Junior, Adilson de Oliveira Author Castro, Cesar de Author Zocolo, Guilherme Julião Author Lannes, Lucíola Santos Author Hoffmann-Campo, Clara Beatriz text Phytochemistry 2023 113472 2023-01-31 205 1 16 http://dx.doi.org/10.1016/j.phytochem.2022.113472 journal article 10.1016/j.phytochem.2022.113472 1873-3700 8381334

Table 5 Putative metabolite identification from soybean pod tissues upregulated under very high potassium (KVH) availability by UPLC-QTof-MS E.

tR (min)	Formula	Identification	Chemical Ontology	FC	FDR		VIP
Metabolites were annotated by level 2.1 of the metabolomics standards initiative; t– retention time; KVL – very low K + availability; KVH – very high K + availability; R “*” – identified using authentic standards; O2PLS-DA and S-Plot models were performed using p -value ≤ 0.05 and false discovery rate (FDR) with q -value ≤ 0.05 (Data S1); Importance variable in score projection (VIP ≥ 1.0) were considered; Fold change (FC) refers to metabolite relative intensity values between KVH vs. KVL treatments (metabolite content is higher in KVH than KVL treatment); MS 1 and MS 2 data, chemical ontology and KEGG Pathway are available in Supplementary Data 1.
		Immature Seeds
6.33	C18H32O5	Trihydroxy-octadecadienoic acid	Fatty acids	2.7	4.58E	02	1.7
8.61	C42H68O14	Soyasaponin Bb’ (III)	Triterpenoid saponins	1.8	8.33E	03	1.9
		Pod Valves
0.70	C6H8O7	Citric acid	Tricarboxylic acids	1.6	2.00E	02	1.1
0.70	C4H4N2O2	Uracil	Pyrimidones	1.5	4.00E	02	2.2
2.79	C18H28O9	β- D-glucopyranosyl-11-hydroxyjasmonic acid	Fatty acyl glycosides	1.7	3.33E	03	1.3
3.86	C27H30O16	Kampferol-3- O -digalactopyranoside	Flavonols	1.5	4.33E	02	1.8
5.00	C24H22O13	Malonyl-genistin*	Isoflavone	1.5	4.67E	02	2.3