Clustering data with hclust algorithm for (Study ST003292)
(Analysis AN005391)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| indole-3-acetonitrile | ME863780 | 0.02 | 0.03 | 9.49 | 0.01 | 0.01 | 1.51 | 3.10 | 0.01 | 1.72 | 0.12 | 0.01 | 0.02 | 1.92 | 0.02 | 0.03 | NA | 0.02 | 0.01 | 0.64 | 0.03 | 0.02 | 0.01 | NA | 14.30 | 0.03 | 0.02 | NA | 0.02 | NA | 0.82 | 4.37 | 0.02 | 0.03 | NA | 0.06 | 0.01 | NA | 0.01 | 0.02 | 0.02 | 0.03 | 0.07 | 0.02 | 0.03 | 0.03 |
| allyl isothiocyanate | ME863764 | 0.58 | 5.14 | 2.46 | 1.28 | 1.19 | 1.84 | 1.59 | 2.32 | 0.08 | 0.12 | 1.20 | 3.33 | 0.02 | 0.45 | 1.46 | 1.65 | 0.05 | 0.86 | 0.04 | 0.08 | 0.04 | 1.00 | 0.41 | 0.20 | 1.27 | 2.63 | 1.58 | 0.50 | 1.23 | 0.01 | 0.09 | 0.14 | 1.36 | 0.65 | 1.27 | 1.68 | 1.16 | 0.11 | 0.33 | 0.08 | NA | 0.40 | 0.12 | NA | 0.03 |
| 3-Butenenitrile | ME863762 | 2.77 | 3.12 | 4.44 | 2.52 | 1.72 | 3.11 | 3.89 | 3.22 | 0.91 | 0.46 | 0.33 | 0.41 | 0.78 | 0.45 | 0.31 | 0.99 | 0.61 | 0.58 | 0.60 | 0.65 | 0.47 | 0.67 | 0.85 | 1.37 | 0.78 | 0.70 | NA | 0.75 | 0.61 | 0.43 | 0.78 | 0.54 | 0.38 | 0.62 | 0.80 | 0.57 | NA | 0.31 | 0.15 | 0.27 | 0.30 | 0.41 | 0.20 | 0.36 | 0.33 |
| 1-cyano-2,3-epithiopropane | ME863767 | 2.33 | 1.59 | 5.58 | 0.85 | 1.61 | 3.20 | 3.54 | 1.88 | 0.93 | 0.89 | 0.51 | 0.58 | 0.90 | 0.68 | 0.44 | 0.59 | 1.11 | 0.60 | 0.95 | 0.82 | 0.86 | 0.98 | 1.16 | 1.73 | 0.43 | 0.80 | 0.30 | 1.16 | 1.12 | 0.72 | 1.22 | 0.87 | 0.39 | 1.41 | 0.24 | 0.65 | 0.14 | 0.08 | 0.19 | 0.10 | 0.14 | 0.28 | 0.16 | 0.14 | 0.16 |
| 4-(methylsulfinyl)butanenitrile | ME863774 | 1.55 | 1.14 | 3.74 | 1.31 | 1.41 | 1.70 | 1.85 | 1.94 | 1.15 | 1.22 | 0.80 | 0.76 | 0.88 | 0.95 | 0.65 | 0.60 | 0.81 | 0.84 | 0.74 | 0.74 | 0.99 | 1.19 | 0.67 | 0.94 | 0.53 | 0.77 | 0.35 | 1.06 | 1.00 | 0.58 | 0.76 | 0.94 | 0.52 | 0.99 | NA | 0.79 | 0.18 | NA | 0.00 | NA | NA | NA | NA | NA | NA |
| 3-(methylsulfinyl)propyl isothiocyanate | ME863778 | 0.63 | 2.91 | 0.83 | 0.86 | 0.78 | 0.48 | 0.63 | 0.97 | 0.46 | 0.72 | 2.85 | 4.52 | 0.38 | 1.29 | 3.13 | 1.05 | 0.15 | 1.09 | 0.22 | 0.22 | 0.21 | 1.87 | 0.15 | NA | 0.84 | 3.16 | 1.13 | 0.55 | 0.78 | 0.08 | NA | 0.19 | 2.44 | 0.19 | 0.53 | 2.70 | 0.95 | 0.01 | 0.01 | 0.01 | 1.58 | 0.03 | 0.01 | 0.02 | 0.01 |
| 5-vinyl-1,3-oxazolidine 2 thione | ME863777 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.70 | 0.62 | 3.66 | 6.98 | 0.83 | 1.06 | 4.18 | 0.20 | 0.09 | 0.42 | 0.18 | 0.03 | 0.10 | 1.67 | NA | NA | 0.13 | 3.77 | NA | 0.11 | 0.31 | 0.06 | NA | 0.07 | 2.68 | 0.12 | 0.12 | 3.36 | NA | 0.02 | 0.01 | 0.06 | 0.02 | 0.02 | 0.05 | NA | NA |
| 4-(methylsulfanyl)butyl isothiocyanate | ME863775 | NA | NA | NA | NA | NA | NA | NA | NA | 0.01 | 0.23 | 3.66 | 5.05 | 0.03 | 0.83 | 4.12 | 0.48 | NA | 0.06 | 0.03 | 0.10 | 0.37 | 1.66 | 0.18 | 0.04 | 0.09 | 2.54 | 0.54 | 0.05 | 0.40 | 0.18 | 0.09 | 1.12 | 1.31 | 0.09 | 0.49 | 0.88 | 0.32 | NA | NA | NA | NA | NA | NA | NA | NA |
| 4-(methylsulfinyl)butyl isothiocyanate | ME863779 | NA | NA | NA | NA | NA | NA | NA | NA | 0.77 | 1.00 | 3.03 | 4.97 | 0.75 | 1.94 | 3.45 | 0.84 | 0.23 | 1.20 | 0.22 | 0.29 | 0.23 | 1.54 | 0.28 | 0.12 | 0.80 | 3.32 | 0.67 | 0.73 | 0.61 | 0.11 | 0.08 | 0.25 | 1.85 | 0.27 | 0.51 | 2.06 | 0.74 | 0.29 | 0.65 | 0.38 | 0.02 | 0.27 | 0.31 | 0.01 | 0.89 |
| 1-cyano-3,4-epithiobutane | ME863769 | NA | NA | NA | NA | NA | NA | NA | NA | 1.26 | 0.93 | 0.35 | 0.45 | 1.16 | 0.44 | 0.26 | 0.56 | 1.60 | 0.52 | 1.40 | 1.02 | 1.31 | 1.54 | 1.69 | 2.35 | 0.28 | 1.03 | 0.28 | 1.45 | 1.70 | 1.17 | 1.67 | 1.51 | 0.38 | 2.21 | 0.14 | 0.63 | 0.11 | NA | NA | NA | NA | NA | NA | NA | NA |
| 5-(methylsulfinyl)pentanenitrile | ME863776 | NA | NA | NA | NA | NA | NA | NA | NA | 2.99 | 1.72 | 0.90 | 0.88 | 2.54 | 1.53 | 0.76 | 0.75 | 0.89 | 0.71 | 1.32 | 0.74 | 1.18 | 0.96 | 1.12 | 2.05 | 0.44 | 0.85 | 0.41 | 1.15 | 1.16 | 1.18 | 0.98 | 1.09 | 0.43 | 1.64 | 0.08 | 0.84 | 0.32 | 0.51 | 1.13 | 0.63 | 0.18 | 0.40 | 0.67 | 0.00 | 2.10 |
| 4-pentenenitrile | ME863763 | NA | NA | NA | NA | NA | NA | NA | NA | 4.46 | 1.23 | 1.40 | 2.55 | 2.22 | 1.41 | 1.77 | 0.12 | 0.16 | 0.07 | 1.39 | 0.10 | 0.16 | 0.12 | 0.39 | 1.49 | 0.16 | 2.09 | 0.15 | 0.15 | 0.13 | 1.75 | 0.67 | 0.17 | 1.45 | 0.16 | 0.06 | 1.94 | 0.14 | NA | NA | NA | NA | NA | NA | NA | NA |
| 1-cyano-2-hydroxy-3,4-epithiobutane A | ME863771 | 0.01 | 0.01 | 0.04 | NA | 0.01 | 0.02 | 0.01 | 0.02 | 4.29 | 2.03 | 1.45 | 1.94 | 3.99 | 1.81 | 1.30 | 0.74 | 0.35 | 0.21 | 2.08 | 0.22 | 1.29 | 1.40 | 0.96 | 0.99 | 0.09 | 1.52 | 0.17 | 0.35 | 1.33 | 1.51 | 0.42 | 1.10 | 0.75 | 2.42 | 0.07 | 1.46 | NA | 0.04 | NA | 0.08 | 0.05 | 0.06 | 0.11 | NA | NA |
| 1-cyano-2-hydroxy-3,4-epithiobutane B | ME863772 | 0.01 | 0.00 | 0.03 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 4.46 | 1.95 | 1.45 | 2.00 | 4.00 | 1.83 | 1.31 | 0.83 | 0.32 | 0.20 | 2.13 | 0.19 | 1.30 | 1.37 | 1.34 | 0.88 | 0.12 | 1.55 | 0.19 | 0.31 | 1.41 | 1.49 | 0.37 | 1.11 | 0.76 | 2.54 | 0.06 | 1.51 | NA | 0.03 | NA | 0.08 | 0.04 | 0.05 | 0.10 | NA | NA |
| 3-butenyl isothiocyanate | ME863766 | NA | NA | NA | NA | NA | NA | NA | NA | 0.04 | 0.04 | 1.04 | 4.14 | 0.04 | 0.41 | 1.58 | 1.97 | 0.11 | 0.49 | 0.29 | 0.14 | 0.06 | 0.06 | 1.43 | 0.76 | 1.39 | 2.04 | 2.07 | 0.87 | 3.38 | 0.04 | 0.45 | 0.06 | 0.62 | 1.77 | 0.80 | 0.86 | 1.80 | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-hydroxypentenenitrile | ME863765 | 0.08 | 0.11 | 0.19 | 0.05 | 0.07 | 0.12 | 0.12 | 0.10 | 2.51 | 0.75 | 0.87 | 1.57 | 1.37 | 0.86 | 1.08 | 1.43 | 1.19 | 1.15 | 0.81 | 0.85 | 0.10 | 0.07 | 3.19 | 2.45 | 1.52 | 1.29 | 2.16 | 1.25 | 1.33 | 1.08 | 1.20 | 0.10 | 0.90 | 1.93 | 0.93 | 1.19 | 2.25 | 0.34 | 3.41 | 0.56 | 0.41 | 0.31 | 0.49 | NA | NA |
Factors:
| F1 | Sample source:Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer" | Date of harvest:02.11.2021 |
| F2 | Sample source:Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer" | Date of harvest:04.10.2021 |
| F3 | Sample source:Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer" | Date of harvest:07.12.2021 |
| F4 | Sample source:Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer" | Date of harvest:10.08.2021 |
| F5 | Sample source:Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer" | Date of harvest:14.09.2021 |
| F6 | Sample source:Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer" | Date of harvest:16.11.2021 |
| F7 | Sample source:Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer" | Date of harvest:22.11.2021 |
| F8 | Sample source:Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer" | Date of harvest:25.08.2021 |
| F9 | Sample source:Brassica oleracea L. var. capitata f. rubra cv. "Davaro" | Date of harvest:03.11.2022 |
| F10 | Sample source:Brassica oleracea L. var. capitata f. rubra cv. "Davaro" | Date of harvest:05.10.2022 |
| F11 | Sample source:Brassica oleracea L. var. capitata f. rubra cv. "Davaro" | Date of harvest:06.09.2022 |
| F12 | Sample source:Brassica oleracea L. var. capitata f. rubra cv. "Davaro" | Date of harvest:10.08.2022 |
| F13 | Sample source:Brassica oleracea L. var. capitata f. rubra cv. "Davaro" | Date of harvest:19.10.2022 |
| F14 | Sample source:Brassica oleracea L. var. capitata f. rubra cv. "Davaro" | Date of harvest:21.09.2022 |
| F15 | Sample source:Brassica oleracea L. var. capitata f. rubra cv. "Davaro" | Date of harvest:23.08.2022 |
| F16 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:01.09.2020 |
| F17 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:02.11.2021 |
| F18 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:03.09.2021 |
| F19 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:03.11.2022 |
| F20 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:04.10.2021 |
| F21 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:05.10.2022 |
| F22 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:06.09.2022 |
| F23 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:06.11.2020 |
| F24 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:07.12.2021 |
| F25 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:10.08.2021 |
| F26 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:10.08.2022 |
| F27 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:11.08.2020 |
| F28 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:14.09.2021 |
| F29 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:17.09.2020 |
| F30 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:19.10.2022 |
| F31 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:19.11.2021 |
| F32 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:21.09.2022 |
| F33 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:23.08.2022 |
| F34 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:23.10.2020 |
| F35 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:27.07.2021 |
| F36 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:27.07.2022 |
| F37 | Sample source:Brassica oleracea L. var. capitata f. rubra "Integro" | Date of harvest:28.07.2020 |
| F38 | Sample source:Brassica oleracea L. var. italica cv. "Calinaro" | Date of harvest:01.10.2021 |
| F39 | Sample source:Brassica oleracea L. var. italica cv. "Calinaro" | Date of harvest:03.09.2021 |
| F40 | Sample source:Brassica oleracea L. var. italica cv. "Calinaro" | Date of harvest:04.10.2021 |
| F41 | Sample source:Brassica oleracea L. var. italica cv. "Calinaro" | Date of harvest:06.07.2021 |
| F42 | Sample source:Brassica oleracea L. var. italica cv. "Calinaro" | Date of harvest:11.10.2021 |
| F43 | Sample source:Brassica oleracea L. var. italica cv. "Calinaro" | Date of harvest:14.09.2021 |
| F44 | Sample source:Brassica oleracea L. var. italica cv. "Calinaro" | Date of harvest:21.07.2021 |
| F45 | Sample source:Brassica oleracea L. var. italica cv. "Calinaro" | Date of harvest:27.08.2021 |
