metabolite_name Fn_1 Fn_2 Fn_3 Fn-Sg_1 Fn-Sg_2 Fn-Sg_3 Fn-Vp_1 Fn-Vp_2 Fn-Vp_3 Fn-SgVp_1 Fn-SgVp_2 Fn-SgVp_3 Isovaleric acid 0.000000 0.000000 0.000000 0.001358 0.000000 0.001127 0.001376 0.001464 0.000000 0.001204 0.000000 0.000000 Heptanoic acid 0.000000 0.000000 0.000000 0.000632 0.000596 0.000000 0.000000 0.000000 0.000000 0.000379 0.000000 0.000000 Sedoheptulose 7-phosphate 0.000000 0.000000 0.000000 0.000000 0.000000 0.000377 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 dTMP 0.000000 0.000000 0.000000 0.000000 0.000000 0.000262 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 UMP 0.000000 0.000000 0.000000 0.000000 0.000292 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 AMP 0.000965 0.001390 0.000921 0.003579 0.003365 0.002824 0.000608 0.000658 0.000619 0.001669 0.001632 0.001693 NAD+ 0.000571 0.000443 0.000728 0.001089 0.001201 0.001658 0.000694 0.000679 0.000791 0.000742 0.001158 0.000828 Decanoic acid 0.001530 0.001790 0.001149 0.002379 0.002445 0.001720 0.002092 0.001779 0.001170 0.002078 0.000882 0.002270 Hexanoic acid 0.000912 0.001072 0.000834 0.001746 0.001352 0.000970 0.001134 0.001225 0.000919 0.001120 0.000997 0.000881 2-Hydroxyvaleric acid 0.000416 0.000638 0.000679 0.000997 0.000825 0.000589 0.001023 0.000867 0.000734 0.000815 0.000000 0.000623 Octanoic acid 0.000977 0.001298 0.000855 0.001678 0.001551 0.001022 0.000959 0.001042 0.000621 0.001132 0.000000 0.001032 Glucose 6-phosphate 0.000437 0.000619 0.000722 0.000733 0.000707 0.000966 0.000608 0.000753 0.000605 0.000586 0.000493 0.000507 Pelargonic acid 0.000562 0.000000 0.000000 0.000758 0.000000 0.000000 0.000000 0.000883 0.000000 0.000000 0.000000 0.000000 Quinic acid 0.000541 0.000395 0.000000 0.000892 0.000370 0.000000 0.000000 0.000000 0.000000 0.000714 0.000000 0.000557 Flavin adenine dinucleotide 0.001566 0.001180 0.002385 0.001672 0.002329 0.002695 0.001931 0.002125 0.001855 0.001835 0.002835 0.002168 Lauric acid 0.019638 0.029437 0.020191 0.025143 0.027660 0.031016 0.028379 0.026942 0.021742 0.022735 0.021155 0.028440 3-Phenylpropionic acid 0.000375 0.000679 0.000597 0.000628 0.000725 0.000563 0.000724 0.000727 0.000489 0.000770 0.000432 0.000675 ADP 0.001195 0.000794 0.001659 0.000953 0.001698 0.001497 0.001571 0.001769 0.001545 0.001081 0.001404 0.002108 Terephthalic acid 0.001144 0.000876 0.000850 0.001202 0.000927 0.001124 0.001322 0.001159 0.000922 0.000851 0.000910 0.001151 Flavin mononucleotide 0.003893 0.003594 0.004566 0.004733 0.003969 0.004557 0.004148 0.003115 0.003713 0.004700 0.005776 0.004572 Lactic acid 0.007329 0.011481 0.006691 0.010364 0.009224 0.006099 0.008312 0.007431 0.005224 0.010405 0.005350 0.007540 Dihydroxyacetone phosphate 0.000000 0.000000 0.000741 0.000671 0.000558 0.000849 0.001047 0.000784 0.001063 0.000000 0.000884 0.000000 Myristoleic acid 0.000724 0.000587 0.001115 0.000689 0.000454 0.000794 0.001419 0.001383 0.001059 0.000549 0.000983 0.001257 Glycerol 3-phosphate 0.001583 0.001629 0.001218 0.001160 0.000999 0.000998 0.001242 0.001245 0.000976 0.000929 0.001056 0.000868 Benzoic acid 0.001105 0.001285 0.000000 0.000000 0.000000 0.000000 0.001283 0.001696 0.000000 0.000000 0.000000 0.000000 5-Oxoproline 0.000441 0.000572 0.000000 0.000000 0.000000 0.000000 0.000000 0.000292 0.000000 0.000624 0.000000 0.000000 Glyceraldehyde 3-phosphate 0.000000 0.000000 0.000349 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000320 5-Oxohexanoic acid 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000999 0.000764 0.000000 0.000000 0.000000 metabolite_name KEGG ID HMDB ID m/z MT Isovaleric acid C08262 HMDB00718 101.0616388 8.8371834 Heptanoic acid HMDB00666 129.09239 8.206988333 Sedoheptulose 7-phosphate C05382 HMDB01068 289.03384 9.194174 dTMP C00364 HMDB01227 321.05112 9.160733 UMP C00105 HMDB00288 323.0299 9.390243 AMP C00020 HMDB00045 346.0568242 8.846265583 NAD+ C00003 HMDB00902 662.1030592 6.235059758 Decanoic acid C01571 HMDB00511 171.1394908 7.574135883 Hexanoic acid C01585 HMDB00535 115.0769255 8.522434667 2-Hydroxyvaleric acid HMDB01863 117.0559795 8.724931045 Octanoic acid C06423 HMDB00482 143.1081927 7.957609736 Glucose 6-phosphate C00668 HMDB01401 259.0239142 9.42149875 Pelargonic acid C01601 HMDB00847 157.12334 7.684384267 Quinic acid C00296 HMDB03072 191.0569883 7.715836183 Flavin adenine dinucleotide C00016 HMDB01248 391.5727842 7.486915667 Lauric acid C02679 HMDB00638 199.1716717 7.291103458 3-Phenylpropionic acid C05629 HMDB00764 149.0604833 8.3869645 ADP C00008 HMDB01341 426.0236725 10.41607963 Terephthalic acid C06337 HMDB02428 165.0197483 16.35139942 Flavin mononucleotide C00061 HMDB01520 455.0992458 7.952716567 Lactic acid C00186 HMDB00190 89.02549667 10.32700825 Dihydroxyacetone phosphate C00111 HMDB01473 168.9920325 12.24683125 Myristoleic acid C08322 HMDB02000 225.1869658 7.1148007 Glycerol 3-phosphate C00093 HMDB00126 171.0068908 11.70746775 Benzoic acid C00180 HMDB01870 121.0302688 9.43087725 5-Oxoproline C01879 HMDB00267 128.035305 9.0731555 Glyceraldehyde 3-phosphate C00118 HMDB01112 168.99168 11.2315135 5-Oxohexanoic acid C02129 129.05674 8.685487