-0.0699 -0.0997 s. hate -0.0919 p thionine -0.0801 id -0.0668

hos hosphate -0.0929 acid -0.0772 p ic acid ic -0.0978 sitol 2-phosphate sitol -0.1025 lline -0.0816 y _divalent -0.0672 h Isopropylmalic acid Isopropylmalic -0.0914 yp UDP-glucoseUDP-galactose -0.0884 6 Allantoic acid -0.0716 1 UDP-glucuronic acid -0.1186 8 N-Acetylglutamic acid6 Citramalic acid -0.1004 -0.1087 108 Adenine -0.0774 387acid Succinic 582 -0.0951 Histidinol -0.1041 0211acid 6-Phosphogluconic -0.0856 0338 Uridine -0.0923 0.00566-phosphate Glucose 0.0079 Homoserinelactone -0.0718 -0.0761 0.0311acid Glucuronic -0.0904 -0.0033 γ-Glu-Cys-0.0044 Citricacid -0.0685 -0.0703 -0.0277 ATP-0.0332 5-Amino-4-oxovalericacid -0.0915 -0.0903 -0.0202 XA0002 -0.0852 he roots of two rice cultivar roots of two rice he c acidc -0.0272 3'-AMP -0.0879 taricacid -0.0425 Fumaric acid -0.0953 aleric acid aleric -0.0441 5'-Deoxy-5'-methylthioadenosine -0.1029 zoic acid zoic -0.0173 GTP -0.0826 ine -0.0368acid Malic -0.0931 benzoic acid benzoic -0.0331 UTP -0.0915 lcholine -0.0337 Fructose 6- cid -0.0134 Cytidine -0.0777 id -0.0448acid Isocitric -0.1033 2-carboxylic acid 2-carboxylic -0.0785 XC0089 -0.1178 y yglutaric acid -0.0429 CTP -0.0953 acid -0.0257acid Quinic -0.0871 lamine -0.0021 Ornithine -0.0676 hor ol -0.0555 Argininosuccinic acid -0.1039 ne -0.0071 Rhein -0.0757 p midazole-4-propionic acid -0.0113 Guanosine -0.0776 and PC2 among 276 metabolites in t and PC2 among 856 248acid Lauric -0.0246 Spermidine -0.0859 o-Inosi 0.0646 274acid 2-Oxoglutaric -0.0766 Tyramine -0.1102 y

hatem p hos lucosamine 0.0875 244 CMP -0.0166 D p g l y o-Inositol 1- o-Inositol steic acid steic 0.0745 258 Phos y y m 0.0991 UDP-N-acet 0.0914 C 3'-cCMP , Table S1. Top 50 and bottom loading of primary component (PC)1 (PC)1 component of primary loading 50 and bottom Table S1. Top cCMP2' 3'-CMP 8 cGMP 0.1050N-oxide Trimethylamine 0.1036 234acid 2-Hydroxyvaleric 7 O-Acetylserine9 Hydroxyproline 0.1051 Trimethylamine 0.1032 Betaine 0.1039 233 GMP 0.1016 235acid 2-Oxoisovaleric -0.005 -0.0038 Adenosine 23 Hypotaurine4acid 3-Aminoisobutyric 5 Thr6 Pro Ser 0.1116acid Glucosaminic 0.1127acid Glucaric 0.1192 0.1097 0.1075 Pyridoxine 0.1062 229 Allantoin1-phosphate N-Acetylglucosamine 0.1090 Trimethy 0.1247 232 228 Norspermidine acid Vanillic 0.1180 0.1158 230 231acid Malic acid cis-Aconitic -0.0020 CoA -0.0030 -0.0029 Arg Tyr -0.0680 -0.0677 1 β-Ala 0.1133acid Mucic 0.1344 227acid Sebacic -0.0017ac Pelargonic 10 N6-Methyllysine1415 Phe16acid 5-Aminovaleric 17acid Imidazole-4-acetic 18 His 0.1029 Cysteinesulfinic acid 0.1005 0.1014acid Sulfotyrosine Phosphoenolpyruvic 0.0952 0.1009 0.1014 N-Acetylcysteine 241 236 0.1002acid 1H-I 2-Hydroxyvaleric 0.0927 Uric acid 242 0.0961a Threonic 0.0917 240 243acid 11-Aminoundecanoic AMP - -0.0 -0.0135 S-Adenosylme 1112 CMP-N-acetylneuraminate13(GSSG)_divalent Glutathione SDMA 0.1020 0.1029 Pyridoxal N-Acetyl-β-alanine 0.0991 0.1014 0.0981 Vanillic acid 237 238 Adeni Adenosine 0.0980 239 - Morpholine -0.0082 cis-Aconitic 4950 Saccharopine6'-phosphate Sucrose 0.0850 NMN 0.08511,5-diphosphate Ribulose 0.0643 275 Azetidine 0.0642 276acid Terephthalic -0.084 29 N6,N6,N6-Trimethyllysine 0.0929 XC0065 0.0794 255 Guanine -0.0315 2- 2728 Val Nω-Methylarginine3031 Cadaverine32 acid γ-Glu-2-aminobutyric 0.0935 0.0915acid Gluconic Cytosine 0.0923 0.0937acid 2,4-Diaminobutyric 6-phosphate N-Acetylglucosamine 0.0799 253 0.0795 0.0761 Trimethoprim 0.0756 254 256acid Glucuronic 257 2,5-Dihydroxy Gulonolactone - 1920sulfoxide Methionine 211-phosphate myo-Inositol 221-phosphate Glucose 23disulfide glutathione Cysteine 24 Asp25 Glycerophosphocholine 0.0985 0.097026acid Tyr 0.0988acid p-Hydroxymandelic Glycolic Lysacid Glyoxylic 0.0976 AMP 0.0940 0.0 Ethyl glucuronide 0.0861 0.0863 0.0947 3',5'-ADP 246 245 0.0939 0.0938 3',5'-ADP Carboxymethyllysine 0.0835 m-Hydroxyben acid Nicotinic 0.0857 250 247 Octanoic acid 2-Isopropylmalic 0.0826 0.0843 251 0.0810 2-Hydroxy-4-methylvaleri 249 -0. 252 Pyridoxalacid Shikimic -0.0272 -0.0252 GDP-glucose -0.0860 3334 S-Methylmethionine35 N-Acetylputrescine36 Serotonin37 Glu38CoA_divalent Acetyl 39 N-Methylalanine40 ADMA41 N6-Acetyllysine42 0.0908acid 0.0906 Ophthalmic 43 Ethanolamine Thiaproline phosphate GMP44 Octopamine45 0.0890 N-Acetylglutamine46 XC0071 1-Methyladenosine47 0.0899 0.0890 FAD_divalent48acid N-Acetylserine γ-Glu-2-aminobutyric 0.0745 S-Carboxymethylcysteine N-Acetylornithine 0.0879 0.0875 0.0896 Cystineacid 259 N-Formylglycine 2,5-Dihydroxybenzoic 0.0739 0.0885 0.0866 0.0718 0.0860 0.0873 NMN Ergothioneine 1,3-Diaminopropane 0.0868acid 2,6-Diaminopimelic acid Mevalonic acid 261 3-Phosphoglyceric 264 0.0728 0.0741 0.0859 0.0853 0.0855 Cyclohexylam 0.0728 2-Hydrox acid 2-Aminoadipic acid Ophthalmic 262 260 0.0662 0.0677 0.0667 263 Gluconolactone 0.0672 XA0033 271 3-Hydroxy-3-methylglu 267 0.0687 0.0696 270 269 0.0675 Glycer Oxypurinolac 0.0661 Glutaric 5-Amino-4-oxov 266 265 268 0.0648 -0. acid UMP 272 Succinic Gly-Asp -0.0 273 Trigonellineacid Quinic -0.03625-p Ribulose -0.043 -0.0430 Pantothen -0.0 -0.0439 -0.0434 myo-Ino -0.063 NADPH_divalent

Ranking PC1 Loding PC2 Loding Ranking PC1 Loding PC2 Loding