Table 3.
No. | Compounds | Abbreviation | Skins | Seeds | ||||
---|---|---|---|---|---|---|---|---|
Group A | Group B | Group C | Group A | Group B | Group C | |||
1 | Total phenolic content | TPC | −0.4043 | −1.2307 | 1.4201 | −0.1302 | 0.4540 | −0.2132 |
2 | Ellagic acids and precursors | EPs | −4.0271 | 2.4873 | 0.3189 | 2.5816 | 1.8111 | −2.6843 |
3 | Ellagic acid derivatives | EDs | −3.0158 | 2.5967 | 0.1427 | 5.5202 | −1.1154 | −0.2678 |
4 | Ellagic acid | E | −2.7306 | 1.4526 | 0.2713 | 4.8190 | −1.0040 | −0.2151 |
5 | Methyl-ellagic acids (1–3) | Me-Es | −0.1053 | 0.5372 | −0.2334 | 1.3958 | −0.2875 | −0.0571 |
6 | Ducheside A | Du-A | −0.0512 | 0.1191 | 0.0386 | 0.9210 | −0.2086 | −0.0345 |
7 | Ducheside B | Du-B | 0.1316 | 1.5802 | −1.0522 | 1.0886 | −0.1932 | −0.0910 |
8 | Ellagic acid glucoside | E-g | −0.8667 | 0.8782 | −0.0100 | 0.3727 | −0.0648 | −0.0317 |
9 | Ellagic acid-dihexoside | E-dig | −0.0232 | 0.0385 | −0.0194 | − | − | − |
10 | Ellagic acid glu/diglu | E-g/dig | −1.6530 | 1.4763 | 0.0737 | − | − | − |
11 | Ellagitannins | ETs | −1.9865 | 0.2552 | 1.1640 | 1.6039 | −0.2092 | −0.1179 |
12 | Methyl brevifolin carboxylate | Me-B-C | −0.9633 | 0.4421 | 0.6616 | 0.8561 | −0.0601 | −0.0858 |
13 | HHDP-glucose | H-g | 0.0546 | 0.0342 | −0.1208 | 0.7131 | −0.1203 | −0.0299 |
14 | Pedunculagin α/β isomer (Di-HHDP-glucose) | Di-H-g | − | − | − | 0.1157 | −0.0191 | −0.0138 |
15 | Mono-/di-HHDP-glucose | Mo/di-H-g | − | − | − | − | − | − |
16 | Galloyl-HHDP-glucose (Corilagin, Strictinin) | G-H-g | −0.0325 | 0.1229 | −0.0254 | 0.4223 | −0.0227 | −0.0541 |
17 | Galloyl-bis-HHDP-glucose (Casuarinin) | G-diH-g | − | − | − | 0.2189 | −0.0866 | 0.00002 |
18 | Galloyl-HHDP-glucose/Galloyl-bis-HHDP-glucose | G-H-g/G-diH-g | − | − | − | 0.4264 | −0.1078 | −0.0077 |
19 | HHDP-galloyl-glucose (Isostrictinin) | H-G-g | −0.0325 | 0.1229 | −0.0254 | 0.4223 | −0.0227 | −0.0541 |
20 | Tellimagrain I (Digalloyl-HHDP-glucose) | DiG-H-g | −0.0307 | 0.0334 | 0.0139 | 0.8165 | −0.0951 | −0.0365 |
21 | Tellimagrain II (Trigalloyl-HHDP-glucose) | TriG-H-g | − | − | − | 0.1536 | 0.0236 | −0.0365 |
22 | Precursors (Gallic acid derivatives) | GDs | −0.4620 | 0.9006 | −0.1423 | 0.5890 | 2.7441 | −2.3172 |
23 | Gallic acid | G | 0.0934 | 0.0532 | −0.1932 | 0.5468 | 0.3028 | −0.3943 |
24 | Methyl gallate | Me-G | −0.6455 | 0.6317 | 0.0035 | −0.1558 | −0.0158 | 0.0232 |
25 | Mono-O-galloyl-glucose | Mo-G-g | −0.0028 | 0.0315 | −0.0143 | 0.0113 | 0.0393 | −0.0362 |
26 | Di-O-galloyl-glucose | Di-G-g | 0.0170 | 0.2667 | −0.1653 | −0.0016 | 0.0059 | −0.0037 |
27 | Tri-O-galloyl-glucose | Tri-G-g | 0.0035 | 0.0996 | −0.0766 | 0.1246 | 0.0980 | −0.1513 |
28 | Tetra-O-galloyl-glucose | Tetra-G-g | − | − | − | 0.1164 | 0.5409 | −0.4237 |
29 | Penta-O-galloyl-glucose | Penta-G-g | − | − | − | 0.5180 | 2.7015 | −2.0699 |
30 | Galloyl-glucoses (1–5) | G-gs | 0.0137 | 0.2838 | −0.1641 | 0.5533 | 2.7601 | −2.1336 |
31 | Flavonols | Fla | −0.5623 | 1.0174 | 0.0858 | −0.0143 | 0.0376 | −0.0142 |
32 | Myricetin derivatives | MDs | 0.0022 | 1.0660 | −0.7312 | 0.2699 | −0.0538 | −0.0153 |
33 | Quercetin derivatives | QDs | −0.3407 | −0.3765 | 1.1126 | −0.0641 | 0.0734 | −0.0118 |
34 | Kaempferol derivatives | KDs | −0.2456 | −0.0330 | 0.2954 | −0.0013 | −0.0213 | 0.0107 |
35 | Isorhamnetin derivatives | IDs | −0.0266 | −0.0245 | 0.3417 | 0.0296 | 0.0184 | −0.0067 |
36 | Laricitrin derivatives | LDs | −0.1156 | −0.1750 | 0.4492 | 0.0073 | −0.0007 | −0.0028 |
37 | Syringetin derivatives | SDs | 0.0174 | 0.5389 | −0.3337 | − | − | − |
38 | 4'-substituted flavonol | 4'-s | −0.2456 | −0.0330 | 0.2954 | −0.0013 | −0.0213 | 0.0107 |
39 | 3'4'-substituted flavonol | 3'4'-s | −0.3238 | −0.3563 | 1.1856 | −0.0317 | 0.0497 | −0.0140 |
40 | 3'4'5'-substituted flavonol | 3'4'5'-s | −0.0401 | 2.3605 | −1.1655 | 0.2033 | −0.0183 | −0.0211 |
41 | Flavonol aglycone | Agl | −0.0720 | 0.2056 | 0.0156 | −0.0351 | 0.0521 | −0.0141 |
42 | Flavonol monoglucoside | Mog | −0.6273 | −0.1335 | 0.7024 | 0.1012 | −0.0196 | −0.0228 |
43 | Flavonol diglucoside | Dig | −0.1058 | −0.2083 | 0.6461 | − | − | − |
44 | Flavonol acylation | Acy | −0.2102 | −0.4368 | 0.9267 | −0.0109 | −0.0100 | 0.0072 |
45 | Benzoic acids | BAs | −0.5820 | 0.5540 | 0.2280 | 0.0510 | 0.0038 | −0.0110 |
46 | Flavan-3-ols | Fla-3-o | −0.0175 | 0.0228 | −0.0020 | −3.6329 | 0.7254 | 0.1494 |
47 | Flavan-3-ol monomer | Mo | −0.0021 | −0.0014 | 0.0037 | −2.7396 | 0.3694 | 0.1878 |
48 | Flavan-3-ol glycate | Gly | − | − | − | −0.2402 | 0.1468 | −0.0084 |
49 | Flavan-3-ol gallate | Gal | −0.0077 | 0.1030 | −0.0425 | −1.5488 | 0.4488 | 0.0222 |
50 | Flavan-3-ol dimer | Di | − | − | − | −0.4692 | 0.1855 | −0.00004 |
51 | Flavan-3-ol trimer | Tri | − | − | − | −0.2596 | 0.0910 | 0.0051 |
52 | Flavan-3-ol monomer/gallate | Mo/Gal | −0.0103 | 0.1002 | −0.0349 | −0.2456 | 0.0016 | 0.0313 |
53 | Stilbenes | Sti | −0.0164 | −0.0003 | 0.0271 | − | − | − |
54 | Cinnamic acids | CAs | 0.0181 | 0.1248 | −0.0987 | − | − | − |
The score contribution is described as group-average weight of first three principal components (PCs) for skins and first two PCs for seeds. −: no contribution. In bold, compounds with absolute value of contribution score >1.