metabolite_name Acorn1 Acorn2 Acorn3 Leaf1 Leaf2 Leaf3 Root1 Root2 Root3 Pyruvic acid 0.000225086 0.000227532 0.000176324 0.000245691 0.000395084 0.000132614 0.000231924 0.000198613 0.000263381 L-Glutamic acid 0.009383847 0.011204216 0.009133578 0.023887896 0.018008481 0.018756116 0.018264871 0.017043787 0.016613909 Glucose 0.095106561 0.098597102 0.111436703 0.0559699 0.126006618 0.140069351 0.132825489 0.138491434 0.134375896 Alanine 0.013948962 0.015858275 0.011990025 0.005087434 0.004946619 0.003933144 0.01077464 0.011748393 0.011002695 Succinic acid 0.001664365 0.001965047 0.001608074 0.004448648 0.003313011 0.002389399 0.003730435 0.003615832 0.003653065 Aspartic acid 0.099544867 0.084462552 0.08322488 0.011434859 0.014895665 0.000810978 0.001740672 0.001653684 0.001654706 L-Serine 0.004248093 0.003585349 0.00311388 0.002126383 0.000133084 0.002046952 0.00344721 0.003690937 0.003315248 L(+)-Ascorbic acid 0 0 0 0.007123559 0.009692817 0.00799697 0 0 0 L-Phenylalanine 0.002158919 0.002888964 0.002517905 0 0 0 0 0 0 Urea 0.0000743 0.000257448 0.000217054 0.0000931 0.000246652 0.000199631 0.000215544 0.000227863 0.000188087 Sucrose 0.13219812 0.143758712 0.14705413 0.02124418 0.014829479 0.015712269 0.103147589 0.092766163 0.112469841 Glucose-6-phosphate 0.0000859 0.000136519 0.000112847 0.001058203 0.001338813 0.001209718 0.000473495 0.000579872 0.000391872 Glycerol 0.002941963 0.004723008 0.00287408 0.002798503 0.004080653 0.002696516 0.005862164 0.006095605 0.006506148 Fructose 0.003233623 0.005619345 0.004196509 0 0 0 0.000952496 0.000984398 0.001021309 Fumaric acid 0.001705578 0.001965047 0.001696236 0.003357119 0.001072761 0.001177688 0.001423644 0.001208096 0.001738493 Leucine 0.001347343 0.002940676 0.001639812 0.000349431 0.000482541 0.000280446 0 0 0 Galactose 0.01797514 0.024166632 0.01918404 0.003142822 0.003688113 0.002601191 0.018890402 0.018722381 0.019636166 myo-Inositol 0.086229949 0.083773062 0.087456653 0.06156464 0.08454103 0.059851294 0.055120637 0.048566711 0.047274822 L-Proline 0.003423836 0.003181997 0.003032771 0.001368415 0.001552144 0.001113874 0.002950815 0.002585327 0.003240482 Malic acid 0.12554066 0.114455377 0.132948219 0.130792759 0.130013403 0.123016584 0.161807707 0.155771384 0.148492043 Asparagine 0.007481716 0.008722051 0.00804037 0.003387498 0.003856097 0.002387616 0.010064088 0.010751628 0.012604908 Citric acid 0.001293449 0.001310031 0.001766765 0.136351733 0.14139228 0.137447351 0.024552724 0.025660983 0.024853168 Glycolic acid 0.000570639 0.000551592 0.000493707 0.00030039 0.000456924 0.000370155 0.001711592 0.002014235 0.001458117 Valine 0.006340437 0.005515922 0.005289717 0.000620534 0.00068762 0.000341936 0.004867777 0.008948519 0.007418426 D-Cellobiose 0 0 0 0.002273183 0.003561059 0.003324302 0 0 0 Lactic acid 0.002884899 0.002171894 0.001763239 0.002803623 0.001528239 0.001945222 0.019760575 0.018397203 0.021211108 L-Threonine 0.000339213 0.000482643 0.000316678 0.000306793 0.000297426 0.000313075 0.001058755 0.001755345 0.001315249 Gluconic acid 0.000621363 0.000720517 0.000684137 0.000512753 0.000356869 0.000436243 0 0 0 Maltose 0.034238362 0.014755091 0.02154678 0.000525146 0.000930556 0.000781745 0.000481951 0.000407512 0.0006454 Oxalic acid 0.003075112 0.002999282 0.002539064 0.002152468 0.001473387 0.003247829 0.000676149 0.000885547 0.000541134 Sorbose 0.000557958 0.000706727 0.000312446 0.00071183 0.000805933 0.000842482 0.127051422 0.132645834 0.128751206 Palmitic acid 0.003148027 0.003433661 0.002986927 0.001995825 0.001696991 0.002126236 0.003457072 0.003620513 0.003284022 Glyceric acid 0.000488214 0.000430931 0.000159044 0.000398772 0.001795961 0.001696492 0.000172007 0.00018057 0.000163315 Arabinose 0.000478703 0.000479196 0.000391439 0 0 0 0.000464007 0.000582327 0.000480401 D(-)-Quinic acid 0.079889511 0.083428317 0.07828781 0.136351733 0.141677345 0.137896436 0.050370389 0.044963746 0.051444982 Xylulose 0.0000891 0.000168236 0.000104031 0.000118074 0.000150959 0.0000997 0.00013405 0.000131288 0.000106993 D-(+)-Galacturonic acid 0.000104617 0.000124108 0.0000882 0.017681699 0.007522806 0.013500926 0.013766914 0.014299305 0.009000753 4-Aminobutyric acid (GABA) 0.056429893 0.047574825 0.052897169 0.001258845 0.001367102 0.001001542 0.006362238 0.006039013 0.007361601 Mannitol 0.002092344 0.002237396 0.002196996 0.000585806 0.000385402 0.000228779 0.00123238 0.001167238 0.001413789 L-Isoleucine 0.000424809 0.002999282 0.000955676 0.000242592 0.000391921 0.000583329 0.002628083 0.002379211 0.002450071 cis-Aconitic acid 0.001344173 0.001158344 0.001167264 0.001033876 0.000703688 0.000896316 0.000632687 0.000519912 0.000728306 L-Rhamnose 0.018070247 0.012824518 0.014705413 0.055001339 0.050752983 0.050937535 0.006824884 0.006989843 0.007554768 Oleic acid 0.004311497 0.005584871 0.005360246 0.005438283 0.003888588 0.004446679 0.006712496 0.007197697 0.006440189 Sorbitol 0.000596001 0.000461958 0.000507813 0.000208061 0.000138482 0.000168785 0.000451149 0.000496942 0.000484398 Salicylic acid 0 0 0 0 0 0 0.000933461 0.000824412 0.000810302 Glucaric acid 0.001230045 0.001410008 0.001414118 0 0 0 0 0 0 Galactaric acid 0.001547067 0.001630644 0.00156223 0.001850762 0.001085473 0.001388389 0.000321611 0.000345698 0.000323607 Galactonic acid 0.012585768 0.014410346 0.013012704 0.001100997 0.003502165 0.000714475 0 0 0 Maleic acid 0.004660221 0.004860906 0.004408097 0.019272965 0.009475763 0.007413349 0.013540445 0.013667987 0.012087224 Gallic acid 0.016897266 0.015996173 0.015022796 0.008819427 0.004668857 0.00670561 0.001528188 0.00182855 0.001390889 Stearic acid 0.000925704 0.00159617 0.001276585 0.00106985 0.001067972 0.001588343 0.002641768 0.002232248 0.002805032 Linoleic Acid 0.042520267 0.051710555 0.070251199 0.109548892 0.074350272 0.072809208 0.041213576 0.046834279 0.019566238 Ribonic acid 0.001366364 0.001351401 0.001184897 0.000801084 0.000697928 0.000709877 0.000480244 0.000466092 0.000419288 D-Erythrose 0.000213039 0.000230979 0.000209825 0.000188936 0.000188489 0.00018698 0.0000973 0.000103295 0.000112091 Maltotriose 0.005008946 0.008515204 0.005430776 0.000600452 0.001288181 0.001074663 0.000413592 0.000499124 0.000640359 Pyroglutamic acid 0.008654697 0.006136463 0.006947162 0 0 0 0.004048795 0.004468834 0.003819925 Melibiose 0.005991713 0.00334058 0.005430776 0.001191369 0.001886983 0.001912743 0.000244282 0.000178961 0.000330314 Catechin 0.006594055 0.004929855 0.006171336 0.058100218 0.021164892 0.038245339 0.059259023 0.064415634 0.055342684 Viburnitol 0.041529865 0.073085964 0.05430776 0.107000578 0.083983245 0.089356059 0.020253323 0.028947149 0.034895431 Epigallocatechin 0 0 0 0.010977509 0.018590712 0.017312681 0.003746992 0.003881178 0.003426823 Tridecane 0.017792474 0.010658668 0.029095857 0.000359298 0.007808246 0.004010303 0.009605598 0.008651487 0.010863739 Anthraquinone 0 0 0 0.001586214 0.003341128 0.002725863 0 0 0 metabolite_name retention index quantified m/z PubChem ID KEGG ID Pyruvic acid 11.59 147,217,133 C00022 L-Glutamic acid 25.23 246,147,128 C00025 Glucose 31.35 319,205,147 C00031 Alanine 12.13 116,190,75 C00041 Succinic acid 18.4 147,247,75 C00042 Aspartic acid 23.32 232,218,147 C00049 L-Serine 19.74 204,218,147 C00065 L(+)-Ascorbic acid 32.13 332,147,205 C00072 L-Phenylalanine 25.25 218,192,266 C00079 Urea 16.82 147,189,171 C00086 Sucrose 43.56 361,217,437 C00089 Glucose-6-phosphate 39.08 387,299,357 C00092 Glycerol 17.6 205,218,133 C00116 Fructose 29.33 217,437,147 C00095 Fumaric acid 23.19 156,147,232 C00122 Leucine 17.39 158,147,232 C00123 Galactose 31.2 319,205,147 C00124 myo-Inositol 31.65 305,318,217 C00137 L-Proline 17.87 142,147,75 C00148 Malic acid 22.7 147,233,245 C00149 Asparagine 26.24 231,116,132 C00152 Citric acid 29.5 273,147,347 C00158 Glycolic acid 11.21 147,205,177 C00160 Valine 15.78 144,218,75 C00183 D-Cellobiose 44.79 204,361,217 C00185 Lactic acid 10.69 147,117,191 C00186 L-Threonine 20.38 218,291,117 C00188 Gluconic acid 33.3073 292,319,147 C00198 Maltose 44.89 361,204,217 C00208 Oxalic acid 13.35 147,133,220 C00209 Sorbose 31.08 217,307,103 C00247 Palmitic acid 33.5 313,117,129 C00249 Glyceric acid 19.03 292,147,189 C00258 Arabinose 26.34 307,217,103 C00259 D(-)-Quinic acid 30.37 345,255,147 C00296 Xylulose 26.62 205,147,263 C00310 D-(+)-Galacturonic acid 39.8 217,204,292 C00333 4-Aminobutyric acid (GABA) 23.37 174,304,147 C00334 Mannitol 31.91 319,205,217 C00392 L-Isoleucine 17.94 158,147,218 C00407 cis-Aconitic acid 27.69 147,229,375 C00417 L-Rhamnose 33.96 204,319,220 C00507 Oleic acid 36.6 339,129,117 C00712 Sorbitol 32.05 319,147,217 C00794 Salicylic acid 27.97 267,370,193 C00805 Glucaric acid 33.63 333,292,305 C00818 Galactaric acid 39.8 217,204,292 C00879 Galactonic acid 30.89 205,275,147 C00880 Maleic acid 18.19 147,245,75 C01384 Gallic acid 32.17 458,281,443 C01424 Stearic acid 37.0349 341,117,129 C01530 Linoleic Acid 18.36 294,263,109 C01595 Ribonic acid 28.39 292,217,147 C01685 D-Erythrose 21.49 147,201,117 C01796 Maltotriose 44.19 361,204,217 C01835 Pyroglutamic acid 23.19 156,147,232 C01879 Melibiose 44.27 204,217,147 C05402 Catechin 46.1 368,355,204 C06562 Viburnitol 32.5 217,191,204 C08259 Epigallocatechin 46.65 456,355,345 C12136 Tridecane 9.82 112,98,85 C13834 Anthraquinone 46.26 369,267,204 C16207