metabolite_name 3609 3608 5050 5057 8678 8680 10188 10184 10506 10512 10524 10526 18476 18473 19051 19053 19205 19204 19338 19337 21274 21275 22346 22343 22693 22694 23979 23977 31703 31708 32567 32564 32595 32594 32871 32870 36673 36668 36916 36914 37654 37653 37687 37689 37976 37977 42957 42955 43779 43782 47605 47603 50742 50739 52012 52014 53131 53132 53247 53248 53983 53984 54182 54184 59701 59703 17626 17627 17637 17643 19567 19564 23868 23870 24070 24068 39907 25794 25793 25922 25923 25945 25944 26084 26163 26166 31630 36357 39117 39116 36361 39910 Adenosine triphosphate 2.813078648 0.648651899 0.204923429 0.009298792 1.609867076 0.291019283 0.20112755 -0.631572682 1.653955201 0.747054645 0.816829045 0.676994189 1.223077038 -0.730195564 0.888135014 0.205357458 1.131203741 0.492931767 1.127516796 0.661552575 1.476813707 0.810155713 2.282141603 1.448318536 1.054589352 0.86185344 0.627400675 0.064534011 0.589364355 -0.070217225 -0.075373444 0.944921016 1.854325179 3.163541932 1.718841816 -0.213771732 2.806219064 1.782342556 1.202884257 2.066951827 1.374026371 2.149903955 -0.078927669 0.698473443 1.951075448 2.057300149 0.811683799 0.218518025 -0.750975023 1.373795971 0.485370973 0.182938119 1.71050662 2.171227598 1.62577399 1.48229125 1.423602686 0.847686817 1.53205426 1.662030306 2.525424783 1.30805733 0.180510723 1.610291215 1.501690916 0.708491852 0.769247692 0.723173055 0.819013337 0.115194369 -0.861419134 0.1153494 2.046712613 1.211473031 0.888876987 1.806926396 2.427430076 2.921983739 0.749603559 1.691977378 1.457775772 0.242393567 0.553019232 0.989333556 1.702359412 -1.55119908 0.713561217 1.828824141 -0.480977834 -0.737302736 1.458227524 0.475353845 Ketoglutarate -3.635213116 -4.379202225 -4.299172015 -3.092523853 -4.188276121 -3.599825289 -4.438293574 -4.271736647 -4.166965904 -4.34355203 -4.21171889 -4.512325427 -4.17934522 -5.232774664 -3.967803255 -2.867362419 -3.747291621 -3.193764015 -3.588284102 -3.733779405 -4.238970049 -4.22990708 -2.662500404 -3.04863203 -4.36950871 -4.611330084 -2.833653563 -3.943679661 -4.367993889 -5.155263575 -2.968118068 -5.254804473 -4.17795045 -3.703223694 -3.750531604 -4.486657512 -2.914238116 -2.955884104 -3.724646089 -1.959945773 -4.005948358 -3.265706085 -3.877994592 -3.731423406 -2.351542307 -4.116416232 -2.177201118 -3.701935142 -3.405023382 -3.593074694 -4.451006415 -3.966585812 -4.224387338 -3.042197014 -1.961409023 -2.263004211 -3.172884143 -2.506564817 -3.408104005 -2.50636623 -4.052053941 -3.507786463 -4.6987623 -5.47796044 -4.065743488 -4.102829682 -4.312546564 -3.945571163 -5.300986181 -7.036170379 -5.245318786 -5.517937619 -3.69217991 -3.726319048 -3.427651843 -3.935947333 -3.244752282 -3.641974169 -3.149248432 -3.621108291 -5.645960599 -4.584619059 -4.601560665 -4.638528012 -5.162179572 -3.965526414 -3.684752868 -3.464089237 -4.653949495 -4.071471698 -4.069772939 -2.900177289 UDP-D-glucose -1.16570105 -2.242855133 -6.855435474 -5.763464235 0.15949452 -1.048951375 -3.616029229 -3.381916662 0.519662835 -1.446745999 -2.316339141 -0.380910714 -1.809021355 -0.429323607 0.331755876 -1.94459521 -0.622658088 -0.219740617 -1.381420319 -1.095700273 -1.489964425 -1.47105203 -0.772574941 -0.666587577 -0.483352488 -0.60996998 0.912112415 -0.280115331 -0.896904107 -3.176973934 -2.18106484 0.769279975 -1.397158653 -1.012819604 0.062896777 -1.702626116 0.418803182 -0.139626302 -1.99237916 -0.492546546 -0.770635103 -1.032240133 -0.105170344 -6.589236615 0.224597601 1.127590391 -2.202060478 -0.818661612 -6.327245486 -6.131117909 -0.729005185 -0.776083343 -1.492643802 -7.125817007 -0.302318266 -1.506357515 -0.511183249 0.622512232 -0.016742575 -0.417516315 -0.953790413 0.056187056 -2.954105387 -0.833823441 -1.939931297 -1.272477446 -6.166895161 -7.794710789 -8.979236822 -8.2116488 -7.760859359 -8.255807565 -0.046093888 0.032176204 0.408668055 -0.146545 0.425575493 0.506488935 -0.343443173 -0.729596133 -1.905096782 -1.652820902 -2.289734586 0.681094137 -4.011258366 -0.59643492 -1.493428301 -0.450031163 -8.618274666 -7.388857125 -0.332918719 0.191738046 Succinate 0.46026589 0.029624395 -4.128788286 -3.177845214 -0.189317938 0.3010997 -1.067124856 -0.175051981 0.075179436 -0.412490579 -0.033284428 -0.095345613 0.014447101 -1.07857358 -1.059750076 0.329701497 -1.103334661 -0.572381469 -0.121895063 -0.218250031 0.145556796 -0.162462949 1.311976342 0.849311474 0.155104587 -0.082286268 -1.768929795 -0.907431624 0.035035521 -2.304211561 -0.126881291 -0.013258565 -0.958282059 0.162656968 0.484930117 0.282961828 -0.689167297 0.46517279 -0.134957102 0.399924435 -1.070480087 -1.153087989 0.190524712 -4.564832512 1.126297745 0.25740213 -2.981567057 -1.741083214 -3.21962216 -4.047799731 -1.582597389 -1.567630989 0.375176296 -2.642757712 -0.021502604 1.17393153 0.456801594 0.576358228 -0.051326444 0.954036175 -3.259289443 -2.32957683 -2.124062738 -0.908311474 -0.605750557 -1.398128449 -4.410052582 -4.408926351 -5.020489042 -5.187807625 -5.092707597 -6.143951517 0.422232602 -0.041649364 -0.512295435 0.214315729 0.000444001 -0.419227342 0.536368589 0.069639576 -1.544281513 -0.456605115 -1.232393824 -1.623855663 -2.913291891 -2.364484911 1.17119957 0.083088064 -3.142263734 -4.131980264 -0.268826295 0.697869924 UDP-N-acetyl-glucosamine 1.001134154 1.535108999 -5.137386466 -4.009504144 1.594585529 1.724264213 -0.881324553 0.967695488 1.621264789 2.144507955 0.837579859 1.974359319 1.455899468 1.595637751 1.274848834 2.483535689 0.521530135 1.97017438 1.893273862 1.996497098 1.637502454 1.818092675 1.663678409 2.053987112 2.05219706 1.768940244 1.118283074 1.402884871 1.44328172 -1.010048652 2.188553932 2.494769962 -0.624814905 1.151798451 2.242962777 2.581204599 1.21362101 2.854909145 2.720646015 3.684760571 0.723094816 1.049949382 2.421547163 -5.51446173 2.675162291 2.244096595 -1.621606818 2.391377788 1.941037739 -3.642361385 1.150829083 1.237867512 1.66640515 -1.883479704 1.405958339 2.433219442 2.374119896 4.117026786 1.287203823 2.19779358 -0.099332481 1.309993219 1.056959176 2.222455217 1.450970453 1.533265337 -5.277928667 -5.703653926 -6.967534341 -6.102210505 -6.686158194 -7.208193575 1.617928347 1.1073871 1.788398614 1.718682411 1.439194638 0.25957144 2.853759345 1.474496781 0.189280302 1.248696444 0.889048835 2.031892525 -1.848151506 2.779968497 2.096890972 2.320602352 -5.715871927 -5.751568175 1.790223305 2.649446316 Phosphoenolpyruvate -3.947654438 -3.784486492 -3.878350247 -3.606221006 -3.466895548 -3.707572806 -3.482832367 -3.144204015 -3.566621197 -3.186650335 -3.92272266 -4.021068141 -4.453980493 -4.703210758 -4.195936102 -3.967015557 -5.025525801 -4.559023198 -3.278590117 -3.462807613 -2.893391621 -3.20092819 -2.591604403 -3.321515778 -3.500549776 -3.497667092 -4.195817865 -4.308019167 -3.973681113 -4.63468798 -3.955315286 -3.710808103 -3.26456603 -2.682633635 -2.317091003 -2.718421913 -2.655294194 -2.401973209 -2.776116452 -3.251165996 -2.783052815 -2.527264182 -2.907950388 -2.169183188 -2.004015786 -2.813455648 -4.258569535 -3.334456969 -3.054098607 -2.383155593 -4.188898941 -3.652742242 -2.944207241 -3.105424965 -1.754090268 -2.4475086 -2.249878194 -2.740344024 -2.994994696 -2.234985174 -3.673889249 -3.949839477 -3.900595569 -3.78781664 -3.206608458 -3.332512481 -2.684827151 -2.585847499 -3.583979549 -3.961974538 -3.990484992 -4.272403948 -2.636212161 -3.234797973 -2.398176826 -2.543762176 -2.635574252 -2.796824948 -2.924350398 -2.545366764 -4.388923842 -3.822208621 -3.63119931 -3.740383645 -4.197894189 -3.938718457 -1.5080579 -2.987548778 -3.190840276 -3.475479264 -3.431560004 -3.279941269 sn-glycerol-3-phosphate -1.056464969 -0.010079572 -0.318713003 -1.080650348 -0.280181505 0.101282985 -2.023610669 -2.189380594 -1.455883894 -1.824477182 -0.817846088 -0.825826874 -2.46706703 -2.144606788 -2.067489581 -1.807028057 -2.629930961 -2.167286349 -2.352521683 -1.21296235 -1.644082779 -1.437334787 -2.556657805 -2.168493353 -1.182677895 -1.504579464 -2.472752254 -2.25605305 -1.959490161 -1.847885799 -2.113805568 -2.029160313 -2.348516928 -2.437032385 -2.887688184 -3.124102294 -2.233184561 -2.096783119 -3.397830606 -2.462328026 -2.975071546 -3.124234864 -2.76381337 -2.920108635 -3.090939317 -2.662440565 -3.046817802 -2.603812814 -2.332594478 -2.508684956 -2.953378466 -2.726734561 -3.205330074 -1.92817767 -4.119249506 -2.911869208 -3.144741776 -3.744427304 -2.428874109 -3.396052114 -3.137228046 -2.932185814 -3.035621011 -3.288313332 -2.57197047 -3.304679314 -2.56432829 -2.187166856 -1.934121867 -2.708360664 -3.51656682 -2.8878028 -2.481079355 -2.309659291 -2.312334737 -3.300204237 -3.232619884 -3.105052917 -2.897382282 -2.999209928 -3.289549462 -2.776386474 -2.906645745 -3.21707067 -3.27603617 -3.15867666 -3.357915079 -3.718452237 -1.099886274 -0.840855216 -1.595088824 -2.493828996 Anthranilate -3.03077831 -2.598715779 -0.522888541 -0.179806974 -4.448298778 -2.439635416 -2.834725684 -1.638389242 -2.956859723 -3.535931192 -3.243062655 -3.475855723 -4.050840062 -4.555884516 -5.538166768 -2.229991707 -4.000305364 -3.414993422 -2.813694254 -3.120241549 -3.066933234 -2.435809958 -3.135974712 -2.706192452 -2.840493736 -2.967158326 -4.288375366 -4.783558702 -3.656137175 -4.374016309 -2.420777768 -5.125278395 -3.890638474 -1.157918308 -3.034536541 -3.434276507 -5.016985492 -3.442956371 -3.09833681 -2.623457357 -4.138579075 -4.568227509 -2.950444189 -1.475721929 -3.068083733 -3.342198117 -4.230041634 -2.569725138 -2.762186428 -0.640513889 -3.532337042 -3.577627293 -3.695738424 -3.864015074 -3.668390656 -3.279645946 -3.69830766 -4.238315919 -3.956490895 -2.987177328 -4.334214427 -4.182367993 -2.777097739 -2.260879054 -2.580684751 -3.504049813 -0.998846248 -0.837434349 -0.899846622 -0.770854011 -1.856133418 -1.685825719 -3.313282395 -3.943063989 -2.969389043 -2.937850332 -4.725713731 -3.9569079 -2.803854074 -3.363847947 -3.893103455 -3.968329218 -3.521582244 -3.944835614 -3.688124215 -2.153824622 -3.058978523 -3.687664453 -1.200128937 -0.957665806 -2.719646803 -3.861969315 Ribose-5-phosphate -5.055810846 -7.09464015 -7.103903993 -5.270568518 -6.926859671 -5.459592559 -6.347092669 -7.382606442 -5.053094585 -5.52464905 -6.232980422 -5.898257164 -4.012892718 -5.3682342 -5.547208283 -4.810470686 -4.187528958 -4.379669472 -6.186031833 -6.053414025 -6.013672018 -7.474554694 -5.23828463 -7.393675816 -4.710261495 -4.845870566 -4.951893974 -4.804374773 -3.410154465 -5.074287612 -3.760274762 -4.987821132 -4.897978381 -5.401365173 -5.264645571 -5.267849282 -4.678170406 -5.41837506 -5.07605512 -5.36171706 -5.061135524 -5.184854886 -4.982387279 -5.174409976 -4.828559133 -6.498664741 -3.389110524 -3.556766127 -6.227413666 -4.778200808 -4.287615203 -3.889252464 -5.387983959 -4.179135978 -6.155742763 -5.830227496 -4.499880911 -5.662103609 -6.441203339 -6.119513261 -4.595126323 -4.362705852 -4.422011601 -5.279521135 -4.648276409 -3.340373294 -5.089239969 -4.962484591 -5.145376901 -5.086542014 -4.758821822 -4.06596723 -4.751886774 -5.450349338 -6.284906046 -5.252619902 -5.162700295 -4.590568093 -3.438765247 -5.026998446 -3.294486795 -4.09761579 -2.672481256 -3.469186908 -5.016679847 -4.621454699 -4.981649728 -5.246478497 -5.315833464 -4.956818227 -5.976698695 -6.419976498 Fumaric acid -3.929735673 -5.37031118 -3.111633225 -1.678934867 -3.631174577 -2.951124293 -3.553829096 -2.607783026 -3.435892621 -3.54946688 -3.7747597 -3.075990236 -4.460519809 -4.171003436 -4.422400164 -3.834836422 -3.305676963 -3.794320988 -3.294409252 -3.914506252 -4.089676358 -3.759752743 -2.409088525 -2.77017828 -3.171432782 -3.421997899 -3.979058471 -4.629734458 -3.634450942 -4.534159566 -4.057616443 -4.124965669 -2.772747958 -2.428944475 -2.830324264 -2.790105981 -2.799901713 -2.346306167 -2.483726635 -0.010071807 -3.03278268 -2.552575583 -2.415710432 -2.264227408 -2.383436788 -2.45300421 -4.001038595 -3.53913151 -2.261182704 -1.555734232 -4.476030163 -4.553689874 -3.482693679 -2.074989283 -2.502162036 -2.5527499 -2.777982792 -2.390049777 -3.049554786 -2.199884421 -4.823982336 -4.509823778 -4.387035301 -4.437717362 -4.114852374 -3.853484005 -1.339213709 -1.758860622 -3.993883943 -3.725832953 -2.972062605 -3.176773334 -2.602893757 -2.889031568 -2.279496003 -2.965165412 -2.979939806 -3.231183124 -2.617598141 -2.78614387 -4.611984383 -3.783661236 -4.1703715 -4.101360908 -5.086432892 -3.591373809 -2.475188093 -2.793623223 -2.169432258 -2.21429481 -2.88753132 -2.767396888 Glutathione disulfide 1.365588648 0.92436614 -9.526447231 -7.011306311 1.228462258 1.700154519 -4.057144117 -0.699722949 1.551488508 0.738213374 0.898737442 1.471923835 2.400744941 2.027198479 2.399327037 1.589187882 2.125140583 1.766710642 1.16021821 0.85816343 0.522925799 1.618090492 1.615255565 1.196855076 0.719795078 0.735539262 1.719116919 2.014491326 1.518049319 -0.40657621 1.491906422 2.339288199 2.448304121 1.881604766 1.215107747 1.306643645 1.432703504 1.768776149 1.014746794 2.159093447 0.502149942 1.227352772 0.800746418 -8.552308699 1.494638408 0.814774193 1.481539538 1.654341296 -2.884494739 0.128294115 1.682056333 1.253361205 1.689476257 -1.177166332 1.649123464 1.349716827 1.009278975 1.190464135 2.324630642 2.41607564 2.365341516 1.276394188 1.732455665 3.404195585 1.737784331 1.849291641 -9.89101129 -9.011080408 -8.642826903 -7.534035844 -8.339918206 -0.180717756 2.15581239 1.85940597 1.054933742 0.960954457 2.044352113 2.623771226 1.246551157 1.40776873 1.895514843 0.866718345 0.824617342 1.428295142 2.125182359 0.989011563 1.433282965 2.038927888 -1.270894315 -9.725297838 1.130670403 1.00493571 Malic acid 1.347471014 0.126093556 2.984161114 4.283648367 2.242401045 3.123262441 2.268747504 3.369461955 2.455671148 2.362989866 2.045902764 2.691911307 -0.043368418 0.032668744 -0.266360901 0.49886533 1.154387911 0.872239569 2.548722086 1.920425297 1.896458926 2.137660677 2.85831111 2.825516552 2.440227654 2.265146254 0.573200418 -0.133804275 0.43454543 0.668561556 0.466736237 0.529946249 2.182322928 3.315909825 2.561691181 2.528499793 2.467561132 3.228451196 2.88671667 4.289769555 2.099004452 2.65419366 2.900434111 3.490966139 2.862316682 3.142198795 1.258968539 1.84308524 3.039713078 4.319174284 0.639390685 0.205621939 2.260200263 2.672155818 2.081384441 2.520732089 2.077976958 2.859930721 2.217463705 3.361059379 0.167793345 0.414805996 0.715961027 0.553532758 0.718782097 1.197095701 4.707485199 3.955387802 1.005013992 1.560662682 1.880498263 1.631925716 2.653587399 2.484260097 2.916409902 2.237222935 2.391315486 1.728886021 2.869369785 2.329728008 0.370058797 1.103777889 0.954342236 1.103495084 0.002933524 1.54228554 2.539749048 3.134053315 3.908384366 4.011229799 3.273054108 3.296547593 UDP-D-glucuronate -2.734501903 -2.327755171 -8.500089109 -7.336256305 -2.918995386 -2.487004879 -4.012879702 -3.838028788 -1.387458645 -2.437700584 -2.940116468 -2.81400834 -2.583117229 -2.586730896 -2.82979213 -1.900955419 -2.5473586 -2.019291708 -2.054260948 -1.993185033 -1.820508759 -2.515737549 -1.631392161 -2.021171104 -1.690852568 -1.977856358 -1.971069708 -2.07342827 -2.280525858 -4.635954362 -2.406094836 -1.828276199 -3.518332555 -2.189129729 -1.482686712 -2.880591983 -2.609563578 -1.418090583 -2.000755351 -0.746293917 -2.456379785 -2.371006002 -2.147946376 -8.652309357 -1.249194212 -1.372589651 -4.430769464 -1.707448725 -2.728681005 -7.688321339 -2.692969168 -2.575285246 -1.961367478 -3.798871368 -2.252510524 -1.587056951 -1.703663505 -0.353930736 -2.508352469 -1.691478724 -2.56588747 -2.478136396 -2.711388638 -2.369735312 -1.90672689 -2.54206157 -8.858817607 -9.729317038 -9.345948444 -7.886111614 -9.470825646 -3.230831335 -1.542497986 -1.852421401 -2.190372257 -1.334425268 -1.675936327 -2.610740978 -1.520478402 -2.026206555 -2.479784397 -2.552117749 -2.643129322 -1.569923327 -3.570118108 -0.855152959 -1.451894804 -1.473853245 -10.94710525 -7.856976313 -1.728855577 -0.947081015 Lactate 2.717183413 2.100235131 2.200016455 2.635746078 1.816105965 2.917447392 2.172339607 2.582728905 2.503669027 2.41943433 2.378464696 2.270735691 2.396125415 1.426034317 1.364197235 2.927949277 2.222630536 2.228833051 2.599441519 2.374970129 2.810152075 2.479248118 3.311261401 2.74154569 2.708377757 2.548205094 0.784833371 1.817206669 1.993020074 1.10623744 2.912225617 2.085054421 2.492565011 3.28021974 2.746821913 2.347297895 1.972766139 3.190604299 2.697708592 3.24619909 1.525266307 2.244208017 2.295126199 2.605386061 3.180862315 2.397328128 1.235995923 1.918967812 1.433856682 3.38894999 1.379553383 1.595770312 2.952849205 1.10874575 2.652721362 2.998778139 2.810332132 2.73728534 2.440290306 3.12432379 1.227937637 1.614346969 1.959547228 2.336668527 2.312882251 1.849118865 3.199249676 3.268549852 2.371071948 2.41120669 1.43672391 1.875973214 2.937276991 2.35896371 2.539397045 2.629732199 2.203513757 2.119688958 2.702672126 3.082519193 1.151104102 1.6303765 1.800878547 1.832830267 1.627039202 1.458807583 3.321755466 3.145032897 2.668638537 2.472433184 2.662090268 2.452508011 Glucuronic acid -8.492297722 -9.77564627 -6.157013593 -5.567182932 -8.50885555 -7.766937621 -7.190365873 -7.417603981 -7.623169462 -7.201153928 -7.935624341 -7.694906645 -1.143105845 -1.457364053 -0.647051348 -0.354861186 -1.0882155 -0.9784153 -7.116312044 -8.438859526 -6.951184298 -7.166049424 -6.380465697 -8.361627201 -7.145077385 -7.173407268 -0.907705781 -1.045748437 -1.129186662 -1.992676709 -0.199747259 -0.879587958 -6.895083296 -6.057813502 -6.580871167 -7.261298257 -6.773910308 -7.705585742 -7.052519259 -6.186717175 -6.421928509 -6.13066703 -6.641762413 -4.373244756 -6.06166336 -8.134613864 -2.075920118 -1.267254837 -6.765872547 -5.228755548 -1.573324701 -0.910335668 -6.224380646 -8.374494129 -4.602096996 -6.711186391 -5.900842522 -7.78780052 -5.337613793 -5.165366942 -2.423719637 -0.386470752 -1.433031395 -2.846663123 0.398028292 -0.705756435 -5.381438129 -4.99061457 -0.059214319 -0.852525445 -1.109116882 -1.876836289 -7.468180943 -8.359786636 -5.367491513 -6.886572031 -6.946193861 -7.257853215 -7.844647457 -6.956700369 -3.365372215 -0.110911411 -0.190149019 -1.568036259 -3.621349836 -2.326155361 -6.85696706 -7.514514099 -6.504573143 -6.761211333 -8.268452189 -8.078759181 2,3-Dihydroxybenzoic acid -6.473976805 -7.695758496 -7.949816708 -7.200941223 -9.005986145 -8.745181282 -8.85787264 -9.79539974 -6.613310699 -6.639213299 -8.124715478 -8.035853872 -5.505185991 -7.544811056 -8.276611531 -6.572142876 -7.242730164 -7.697004922 -9.593556616 -8.90512462 -7.623225408 -8.647006797 -6.725295743 -7.160733618 -5.957231652 -5.842215345 -7.020030415 -5.957394247 -8.773914125 -9.088643181 -6.455745895 -7.642623438 -10.62714176 -7.031730289 -8.174102073 -7.736267939 -7.183361707 -7.812971757 -7.698795356 -5.445622354 -7.355194772 -6.938490579 -9.868434709 -6.60708049 -9.96945435 -9.514717046 -9.115561968 -5.959588971 -8.908626526 -4.247422212 -4.719691678 -3.845404605 -7.895768802 -9.018634538 -6.054352454 -5.981236623 -8.3419134 -5.925846211 -7.417909095 -6.211057639 -4.214308366 -4.201399824 -6.397042994 -7.468346536 -5.859704437 -7.132819629 -4.145663875 -6.069693734 -5.788364516 -8.279669675 -9.109354083 -7.698175222 -7.023597447 -6.989378253 -6.656625604 -7.410044207 -7.561901311 -7.892250625 -9.540735191 -5.87385921 -6.47954762 -7.22494814 -7.236460175 -7.740090406 -7.980669741 -8.243546697 -7.416812699 -7.068754388 -7.317872708 -9.83782451 -6.731928746 -8.393164881 3-Phosphoglycerate -2.509614861 -4.29509638 -3.497322111 -2.527003691 -3.272826354 -2.614653813 -4.128859778 -4.659664578 -2.589788369 -3.569569795 -2.923170625 -3.017602025 -3.490837206 -4.401807295 -3.88023003 -3.933243946 -3.221687298 -3.713498471 -3.942992516 -3.757518307 -3.977633783 -4.5556226 -3.023731017 -5.429689301 -2.56414346 -2.73826637 -3.494713929 -3.746753048 -2.908420468 -4.321705176 -2.941405223 -4.250361891 -2.506389052 -3.331506179 -3.818514487 -3.784307508 -2.457756571 -2.71574716 -3.030174557 -3.690259316 -2.984233229 -3.62831169 -3.007657356 -3.511652267 -3.39001722 -4.591030581 -3.196249591 -3.353204637 -4.641864419 -3.419904183 -3.18586514 -3.082825472 -3.87885243 -2.374237029 -4.471134093 -3.825944161 -2.655896782 -3.99772234 -3.755252944 -3.970518729 -3.432896005 -2.941480052 -3.396783159 -3.502779222 -4.333783467 -3.406308531 -3.526212865 -3.900112972 -3.502304978 -3.083703169 -4.090299245 -3.260947007 -3.211508647 -3.286439681 -4.188133495 -4.049372458 -3.479757297 -3.139196137 -1.909242118 -3.776038471 -3.269827751 -3.644591996 -2.732001087 -3.239874633 -3.189576534 -3.44214971 -3.950742412 -3.109696593 -2.714522098 -2.52652794 -3.958854944 -4.346355453 Maltose -6.43360743 -7.429393004 -2.814670919 -6.264506231 -5.481202918 -7.59155663 -5.096446634 -7.926996779 -6.708076345 -6.36284466 -5.412657573 -6.966172417 -5.507739067 -6.778390382 -6.298216374 -5.149120735 -5.474308852 -5.601688238 -7.026391823 -6.99772295 -6.30569999 -6.723953087 -5.028288601 -6.773172971 -5.788782446 -5.782078955 -5.307715729 -5.811837732 -4.957249795 -6.721475891 -5.987421346 -6.644273003 -5.579074661 -3.910567973 -5.720103081 -6.25656308 -5.723778567 -5.98974902 -5.584792803 -3.371136433 -5.659977756 -5.842740699 -4.293516129 -0.690131759 -4.696792056 -6.838483731 -5.939221038 -6.252041347 -5.571854462 -2.144492953 -6.715189338 -6.185631762 -5.269067541 -6.508623714 -4.83166906 -5.576498098 -4.434994819 -6.112069804 -4.363406344 -3.63287495 -6.670773671 -7.008824822 -6.008940905 -7.063544733 -4.927115916 -6.259169934 -4.035679142 -1.804395087 -3.43521129 -2.788767808 -4.936596245 -7.283151243 -5.689394747 -6.062521269 -4.065761726 -4.489010422 -4.775768109 -5.974669156 -6.595604857 -6.311449745 -8.176488241 -6.961036071 -5.926502697 -6.640067882 -6.387465831 -7.473732765 -5.328636484 -5.858422474 -3.264681218 -4.768603098 -7.913596565 -7.590099564 Acetyl phosphate -6.457848253 -6.805556913 -6.776934349 -6.423915325 -7.075145022 -6.383601357 -6.75900198 -6.105091581 -6.237846313 -5.968188132 -7.17454343 -6.265787781 -7.229042265 -7.019073465 -7.323697023 -6.757957015 -6.027656854 -6.603833985 -5.946450588 -6.118353641 -6.056431651 -6.04582645 -4.706243173 -6.488553158 -6.133344307 -6.568003913 -6.413108929 -6.593859533 -6.635723348 -9.467777266 -7.681418598 -7.021934441 -6.264207422 -7.949105531 -6.471408695 -6.909499077 -6.118457481 -5.390691984 -5.732589204 -5.869796497 -6.619029859 -5.725585099 -6.338640727 -6.622448388 -6.136766809 -6.328586829 -6.487294066 -5.633447197 -6.782459808 -5.194785657 -5.762998389 -7.180492257 -5.985915597 -7.134854545 -5.80356487 -5.807180293 -5.762165523 -5.923290805 -5.632394716 -5.804581604 -6.558138249 -5.614956969 -6.109844559 -4.631326413 -7.195269051 -7.011849298 -4.860116926 -5.571423214 -7.671984605 -5.91563596 -7.348333116 -5.705020359 -5.766847598 -6.002992637 -5.945564901 -5.386427842 -6.108204884 -6.83356713 -5.967169142 -5.725242878 -5.666086814 -6.92827177 -7.092092749 -5.459732798 -6.057451077 -5.781948323 -6.506388887 -6.51564209 -6.560439961 -6.537027101 -5.643605887 -6.297298538 1,3-Bisphospho-D-glycerate -2.821776967 -2.908428324 -4.304525197 -2.865925016 -3.239853595 -2.765933543 -3.968123056 -4.116030431 -3.356172666 -3.480333189 -3.011092684 -3.450810061 -1.858013294 -3.039079307 -3.334843982 -2.465173789 -3.963366313 -1.951108099 -1.316529332 -4.043340241 -4.337102471 -5.314292689 -3.3960897 -3.800166372 -2.123835532 -2.155467146 -2.378102691 -0.119186929 -3.247939129 -2.402922457 -3.468971154 -3.040380165 -3.973367332 -3.95204388 -4.214619398 -3.781572676 -4.631264525 -4.455624866 -4.01671114 -4.298316117 -3.822853273 -2.512781679 -2.667216145 -3.335525028 -3.656523118 -5.086426245 -4.17078174 -4.51607988 -2.969665029 -2.077647532 -3.96877493 -4.057837395 -3.358996957 -3.192007646 -3.513806696 -4.063583889 -2.938766571 -3.960683003 -4.126894936 -2.933457499 -3.941162734 -4.753587264 -4.582554612 -4.160361559 -2.963485609 -3.133185964 -2.72139381 -2.606333624 -2.00433463 -1.577743136 -3.195702721 -4.022222048 -3.908945687 -5.536114386 -3.451983992 -3.204793318 -2.935671839 -3.625710029 -3.65253763 -4.294036379 -3.200630174 -3.836773077 -3.184715184 -3.251158314 -2.679445724 -4.298263174 -3.396972314 -2.992264131 -2.688638363 -2.471130087 -3.291856282 -2.931543713 Taurine 5.915796573 4.980307202 6.043222243 5.683181512 5.113152601 5.587965026 4.85963097 5.217904237 5.605515166 5.331109452 5.971221831 5.770558023 4.595105572 3.58163269 3.728263692 5.099395875 5.032567101 4.391757702 5.796741586 5.452252152 5.79572674 5.54305986 5.344536018 4.774793493 5.350404618 5.139099336 4.700074721 4.003629173 4.428613549 2.791608975 5.224717205 4.332498066 5.047452682 6.011127875 5.642938442 4.299998939 5.428615101 5.27200311 5.039913604 5.787277472 4.320955375 5.482175858 4.843276198 5.260218113 5.540921474 5.117755537 4.779962628 4.564428048 3.339282925 5.863822021 4.155014079 4.185354649 4.91898269 3.737974518 5.329865245 5.627444888 4.902585147 4.763456816 5.423761921 5.638959381 4.090693568 4.430507933 4.734089655 4.763412861 4.610869241 4.342686578 4.9865168 5.575825916 5.394432692 5.34609892 3.852750646 4.023688021 4.992201927 4.784898912 5.106235736 5.223008231 5.390641463 5.138770872 4.314046661 5.453446577 4.895157978 3.403677644 3.901681669 4.548688969 4.745422348 3.952878526 5.546047374 5.274091972 5.545361421 5.260957686 5.579069622 4.616045529 Inosine 5.716741532 5.280358614 2.808365589 2.83916426 5.333596897 6.273375034 6.173627771 5.939574941 6.325133242 6.05217282 6.293451488 6.714258726 6.005771733 5.478093223 5.132859574 6.214701514 5.77627584 5.76074683 6.311544182 5.855432305 6.169594219 5.729141323 5.141274305 4.765268688 6.394155847 6.422308748 6.206012592 5.619167154 5.803963157 4.014480813 6.375384447 5.827040934 5.49688576 5.692541393 6.207893168 5.479373041 4.520300296 5.237329081 5.651209393 6.329147119 5.383557557 5.436342126 5.70205874 4.134839782 6.102733662 5.49014547 5.581510775 6.022556768 4.34905914 5.123167848 5.519140319 5.460111725 5.411749286 5.203714143 5.715012225 5.992565385 5.870720091 4.904649637 5.737767534 6.106431656 5.256769723 5.487123914 5.736902411 5.804039529 6.836847344 6.125542667 3.302183503 4.324944362 5.188713677 4.566541364 3.496365082 2.139725809 6.118524827 5.403142295 6.101775104 5.766695075 5.535040433 5.68862574 5.1843513 5.957261549 5.833601215 5.654493574 6.044225128 5.764086943 5.779469955 5.335909613 6.282597692 5.313974481 5.186743438 4.066303376 6.489611129 4.862200896 Uridine -4.623051584 -4.294298516 -4.223367145 -3.175332219 -4.4287808 -4.111883795 -5.033768603 -4.153015362 -4.867349229 -4.468163071 -4.374620441 -3.907428454 -5.6304118 -6.172819601 -5.610906213 -5.830294777 -6.505311656 -5.825754925 -4.620515872 -4.979148263 -4.691406906 -4.544976297 -5.14495789 -4.995449091 -4.248372541 -4.337097377 -5.26705017 -5.13300506 -6.228722794 -6.041932385 -5.689284308 -5.463466644 -5.755624755 -4.416475572 -5.208240893 -5.533778558 -5.769252442 -4.981128552 -5.242929484 -5.187972995 -5.580562649 -4.912085621 -5.176033446 -5.004554509 -4.629106308 -5.410821547 -5.314178015 -5.032854141 -5.376338678 -4.471989794 -5.425345468 -5.136022689 -5.609504404 -6.29714046 -5.017599028 -5.294021195 -5.0484879 -5.356798653 -5.619327885 -4.732736534 -5.899670201 -5.377823059 -5.506329247 -6.881211276 -4.424878791 -5.742457546 -4.459008673 -5.216374544 -5.044448679 -5.377019622 -5.818691353 -5.73182291 -5.126468278 -5.560217799 -5.052566416 -5.498433582 -5.799130348 -5.363789234 -5.462859478 -5.786435885 -6.17416928 -5.972876938 -5.97527414 -5.485028153 -5.500920822 -6.409831985 -4.816952728 -5.922419101 -3.944362209 -3.537705022 -4.968048673 -4.184780636 Dihydroorotate -6.87124396 -6.502786515 -7.199600588 -6.438284576 -6.159351681 -7.133835706 -7.250750899 -6.752715299 -7.034684996 -7.423004821 -5.926429149 -6.64996067 -7.72108837 -7.804389027 -6.209287023 -6.142748558 -6.251938855 -7.63175916 -6.876324228 -7.362004174 -6.876067126 -7.158191967 -7.13656525 -7.232588603 -6.897377055 -7.156275068 -7.367072613 -5.760630535 -6.820588941 -7.918817989 -5.258738865 -6.729620545 -6.380745681 -7.043522254 -7.645491245 -6.777648809 -7.038295715 -7.045052755 -6.682954548 -4.552860778 -7.410179668 -7.0899188 -7.853004306 -6.556307453 -6.573486324 -8.859956155 -7.197652418 -8.00832077 -7.868883171 -8.395037155 -7.300787294 -7.383503745 -8.426971171 -6.710046808 -6.981439397 -6.805526671 -6.516427007 -7.980412021 -8.274577577 -7.141093234 -8.597978838 -8.674368468 -7.567755467 -7.86195669 -5.777706782 -6.980446262 -8.238884986 -7.547801692 -8.024226385 -6.520567009 -7.228688228 -7.746203043 -7.440395638 -7.762931731 -6.630125186 -8.583810211 -7.173089302 -7.591354079 -7.977006257 -8.306799731 -8.349168223 -7.656838119 -6.903122039 -7.498538898 -8.492318964 -7.70869652 -7.512333089 -8.156136237 -8.109874254 -7.228249411 -6.604219602 -6.70231766 6-Phospho-D-gluconate -4.152585394 -8.232015454 -8.907281982 -6.893891197 -5.957290765 -4.86441877 -5.274537884 -6.820039445 -4.907977436 -4.58350922 -5.169463319 -4.910080733 -3.561655975 -4.885990071 -6.077347904 -6.00021523 -3.51471654 -3.031955743 -5.716634723 -5.801536749 -3.987961896 -8.288272436 -3.480418351 -5.824581533 -3.697191829 -4.33829353 -4.558846949 -3.66200815 -2.816106174 -7.110387859 -5.539101483 -3.60720037 -5.667346946 -4.47302946 -3.182022883 -6.690959999 -3.678033801 -3.676414478 -3.938266424 -3.095094419 -3.944133722 -4.217821527 -6.446071633 -8.767980872 -2.179971363 -3.497326486 -4.168742683 -2.529650984 -7.312437872 -6.765219661 -4.370251374 -3.876298023 -3.489561958 -5.243441368 -3.597685598 -2.621062864 -3.180075861 -1.635344971 -2.153081211 -1.923538783 -3.323955352 -3.013180608 -2.060735529 -3.602349982 -3.771343556 -2.913942624 -6.396094626 -7.568105425 -7.886930107 -7.432155138 -7.681776406 -6.859846558 -1.586940211 -2.568157807 -3.803903109 -1.810101305 -3.30074126 -1.653265342 -5.736276633 -2.324167423 -1.496742544 -3.41851137 -3.871637294 -2.204874744 -1.837262101 -2.293857898 -2.341939903 -2.891160002 -9.009409983 -8.70274492 -5.511686607 -6.621611871 2'-Deoxyguanosine 5'-diphosphate 2.813078648 0.648651899 0.204923429 0.009298792 1.609867076 0.291019283 0.20112755 -0.631572682 1.653955201 0.747054645 0.816829045 0.676994189 1.223077038 -0.782304064 0.891513015 -0.015152521 1.091986064 0.492931767 1.127516796 0.661552575 1.476813707 0.810155713 2.282141603 1.448318536 1.054589352 0.86185344 0.618616623 0.038924862 0.591883313 -0.080754492 -0.609410398 0.788725892 1.854325179 3.163541932 1.718841816 -0.213771732 2.806219064 1.917880301 1.202884257 2.066951827 1.374026371 2.149903955 -0.078927669 0.698473443 1.951075448 2.057300149 0.800538529 0.218518025 -0.750975023 1.373795971 0.402494711 -0.079238829 1.71050662 2.171227598 1.62577399 1.48229125 1.423602686 0.847686817 1.53205426 1.662030306 2.529878183 1.366780728 -0.156794014 1.133231097 1.292412601 0.452499639 0.769247692 0.723173055 0.817245434 0.000300763 -1.421457038 -0.141905162 2.046712613 1.211473031 0.888876987 1.806926396 2.427430076 3.112168563 0.749603559 1.691977378 1.29523013 -0.099045219 0.376418771 0.824882782 1.436378503 -1.297479281 0.713561217 1.828824141 -0.480977834 -0.737302736 1.458227524 0.475353845 Malonate -5.613843348 -5.656328058 -4.475973987 -4.523468911 -4.599044411 -5.194270132 -4.660271411 -4.753209672 -5.521107959 -5.061147522 -4.802038231 -5.144834032 -5.499296388 -5.245827183 -4.9142128 -5.450751319 -4.702670799 -5.499280579 -5.197457158 -6.490247987 -5.366008053 -4.82673047 -5.529345763 -5.473704796 -6.679790815 -5.827352784 -4.461307063 -4.438954087 -5.184669456 -4.822123806 -5.180022768 -5.097307279 -5.453566879 -6.279722418 -6.465613339 -5.44996634 -6.071465804 -5.840295553 -6.618658603 -2.743030588 -5.894133635 -5.888433268 -5.732079984 -5.956689844 -5.407856273 -5.576325178 -5.458751144 -5.132201884 -4.945955259 -6.245885284 -5.376657881 -5.380783664 -5.887889137 -4.147193491 -5.810749754 -6.317188699 -6.585877657 -6.176452427 -5.452608975 -5.215856566 -5.893717912 -5.418288052 -4.726366571 -4.466068294 -4.945803087 -6.134322767 -5.758777558 -4.724998989 -4.968106933 -3.674853059 -5.267870914 -5.066368699 -6.087594651 -5.528015391 -5.185088422 -6.508215223 -6.086018589 -5.791210635 -5.961413561 -6.767865967 -5.219899288 -5.36578174 -5.031587498 -5.569075895 -6.034300273 -5.578602109 -5.948552785 -5.718087002 -5.747952711 -4.791548702 -5.069441844 -5.259771305 Farnesyl diphosphate -7.397795692 -8.278285052 -7.852465155 -7.41851685 -8.292615325 -7.649423822 -8.632590997 -10.00846038 -8.260714221 -7.810069788 -7.648279009 -7.378932706 -7.511761117 -7.703485361 -7.506787099 -7.323118577 -7.940301622 -9.519370305 -8.653661403 -7.856057059 -8.349756911 -7.922948091 -8.365846363 -9.667087783 -8.481467105 -8.032312461 -7.854047333 -8.249787607 -7.025693681 -9.589513335 -6.475061614 -7.628260051 -7.847070492 -7.700539418 -7.859134701 -7.954049693 -9.271626983 -8.43938667 -7.217331279 -6.036579248 -7.423162168 -7.671533564 -7.147596117 -7.354936034 -8.681355366 -8.154384545 -5.960448 -7.147841627 -9.174739693 -7.755726389 -8.355342406 -7.483727701 -7.318661143 -7.703847294 -7.34294451 -8.082431362 -6.524563126 -8.048674718 -7.917288938 -6.601088712 -9.010817868 -8.208100574 -8.326606145 -8.797972204 -8.386907577 -7.651673532 -7.615316241 -8.834105849 -9.33007178 -9.156056715 -8.559889459 -9.167880797 -8.342502415 -8.482026712 -6.579825876 -7.931769739 -9.295920436 -7.24243245 -7.398809367 -8.181185425 -9.981234943 -7.806724149 -8.05559779 -8.214108984 -6.629419011 -9.65369015 -7.323072539 -9.116189559 -9.02122789 -7.793841303 -6.856788486 -7.962879868 Shikimate 0.897781434 -0.682580224 0.878040799 1.960326141 1.88342872 1.642142023 0.356403994 -0.543194128 0.030527051 -0.956949977 -0.157250539 0.526373718 0.83125769 1.343869629 1.431064219 1.221773183 -2.194473094 -1.586866129 -0.443992324 -0.687324353 1.347482101 0.838887394 0.840840181 -0.216194233 1.375697583 1.347399365 -0.476682795 0.046395857 0.723304257 0.400834951 1.110219454 0.314181528 -2.190825568 -0.495589812 0.512092434 0.077820669 1.519563402 1.472798914 0.719458881 0.748325015 -0.373360551 2.238798602 0.7270588 2.518342037 -0.296196455 -1.740479576 -1.978032278 -2.172951358 -0.849113144 0.414513644 -0.37522067 0.154937849 -1.189167605 -1.277106671 2.817949067 2.707322003 1.545360638 0.382313527 -0.002244549 1.398818455 1.249632844 1.591733037 0.615888794 0.276636139 1.540132116 0.791329345 0.627985237 1.136689373 -1.468742538 -1.631947594 2.696262251 2.191135192 0.068137172 -0.933731993 1.432679769 1.846437886 4.841969164 0.779764133 -0.358441691 1.163692187 -0.819741724 1.011670238 1.103232301 2.410467915 -0.254395142 -0.914109852 -2.246775061 -1.766814779 -0.543321302 -1.033189706 -1.192040504 3.752885783 P-aminobenzoate -3.03077831 -2.598715779 -0.522888541 -0.179806974 -4.448298778 -2.439635416 -2.834725684 -1.638389242 -2.956859723 -3.535931192 -3.243062655 -3.475855723 -3.999511184 -4.317582206 -5.538166768 -2.12397224 -3.983034797 -3.24544619 -2.813694254 -3.120241549 -3.066933234 -2.435809958 -3.135974712 -2.706192452 -2.840493736 -2.967158326 -4.171989542 -4.541279096 -3.495240268 -4.285872185 -2.493877067 -5.125278395 -3.890638474 -1.157918308 -3.034536541 -3.434276507 -5.016985492 -3.442956371 -3.09833681 -2.623457357 -4.138579075 -4.568227509 -2.950444189 -1.475721929 -3.068083733 -3.342198117 -4.230041634 -2.569725138 -2.762186428 -0.640513889 -3.532337042 -3.577627293 -3.695738424 -3.864015074 -3.668390656 -3.279645946 -3.69830766 -4.238315919 -3.956490895 -2.987177328 -4.334214427 -4.182367993 -2.777097739 -2.260879054 -2.580684751 -3.504049813 -0.998846248 -0.837434349 -0.812099902 -0.711991676 -1.856133418 -1.685825719 -3.313282395 -3.943063989 -2.969389043 -2.937850332 -4.725713731 -3.9569079 -2.803854074 -3.363847947 -3.893103455 -3.968329218 -3.521582244 -3.944835614 -3.688124215 -2.153824622 -3.058978523 -3.687664453 -1.200128937 -0.957665806 -2.719646803 -3.861969315 Glucose 6-phophate -1.891582727 -4.644155655 -3.707468802 -3.709955253 -2.614460576 -2.360413888 -2.258258753 -1.988965943 -2.133885182 -2.302943451 -2.086674845 -2.439489674 -0.269846724 -2.026207774 -1.052717829 -2.935500404 -0.178318677 -1.130081512 -2.875143721 -2.893251615 -0.983493645 -4.337254073 -0.952489109 -3.003637001 -1.271825473 -1.448973126 -0.10342578 -1.102109444 -1.034028709 -3.182740661 -3.225402447 -0.214525922 -2.588415334 -1.94007435 -1.803005212 -2.119898811 -1.321052069 -1.892729296 -0.696416097 0.181336357 -0.608413106 -0.776423201 -2.328815316 -5.129481748 -0.705218132 -1.782276021 -0.974316316 -0.440610924 -1.869266143 -1.545110211 -2.000495172 -1.446946962 -1.222568988 -0.811628839 -0.700197183 -0.250112997 0.09632905 0.262643534 0.024282807 -0.311390262 -1.361102423 -0.36332571 0.049962555 -1.046019724 -1.272985695 -1.429698035 -0.971573293 -2.145160437 -2.883571144 -0.881276218 -2.634686941 -2.200563587 -0.742827463 -1.14158281 -1.190639263 0.013480259 -0.817684983 -0.484366635 -3.632640661 -0.307215774 -0.523458102 -0.660990715 -0.798719343 0.23698121 -0.112519213 -1.928130314 -0.529299967 -1.354127165 -3.585107373 -3.131999661 -2.962368878 -2.980257119 N-Acetyl Aspartic acid 2.633074582 2.904638878 2.333591678 2.744042828 2.035209167 2.432728916 1.761101436 1.924695841 2.254748663 2.336700042 2.010952882 2.15012479 1.588444558 1.670231494 1.703703498 2.183208878 3.475405216 1.445784879 1.961970485 1.955417798 2.125414199 1.929364752 2.74151 2.272673096 2.119172189 2.052349671 1.704553139 1.646053483 1.877387527 1.700551274 1.436665108 1.926445482 2.873538642 2.497252295 2.362189383 2.46850043 2.338669424 2.413746057 2.138669266 5.636632085 2.184965283 2.539858974 2.969225526 1.382597679 2.852022606 2.400957748 1.85885559 1.469990265 2.611411207 2.853904256 1.800541359 1.604120586 2.03757531 3.342011193 2.582662452 2.293507537 2.650816501 2.368704045 2.566099409 2.814718855 1.741512972 2.050693996 1.552798732 1.681600611 1.751485301 1.545823113 3.148603657 2.306595053 1.623589879 0.768393857 1.624887002 1.609315067 2.565166022 2.486964852 2.518098459 1.59242404 1.70318688 2.651608015 2.468690891 1.304571088 1.713891442 1.750438759 1.1629719 1.661524719 1.375240828 1.620835834 1.601373172 1.58929107 1.91854082 2.482000788 2.1558813 3.043253554 Maltotetraose -5.05477089 -7.589706159 -2.874094183 -3.427087427 -1.536790672 -4.906836208 -2.519346826 -6.442518959 -4.30970558 -3.267957349 -4.469498143 -4.528372154 -1.856982669 -3.174529948 -2.955110852 -2.53835493 -3.915945761 -3.868648399 -4.626985176 -4.758565572 -4.516683119 -4.538484733 -2.720746923 -4.645410282 -3.021877585 -2.928382976 -2.10646156 -2.096930753 -3.813475464 -3.11610882 -2.468265448 -2.235030698 -3.382946326 -2.398603147 -4.088843096 -4.437119081 -2.815180253 -2.886101237 -2.429988257 -0.946012485 -2.211204888 -1.986163534 -2.640197305 -0.560727928 -2.282283237 -3.276605803 -2.252778484 -3.432464715 -3.65738179 0.513457029 -3.558222355 -2.188077459 -2.908581801 -3.204382804 -1.690371324 -2.370738434 -1.987976765 -2.645301318 -1.023958896 -0.469498565 -2.811970659 -1.299821555 -1.974847387 -4.25528744 -1.164606343 -3.48342836 -1.72227852 -0.131712608 0.442035737 -0.947622389 -1.636995979 -4.43549589 -3.052504102 -3.287840834 -1.337085998 -2.700685015 -1.523206197 -2.504600352 -5.214815967 -3.140089576 -3.2187772 -3.171280278 -2.018111305 -3.733985002 -2.139358794 -4.723787715 -2.122914613 -3.514496744 -1.489437433 -3.42581388 -5.369269088 -5.627323631 Hexose-Phosphate -0.015128502 -2.166546596 -2.319275317 -2.043915254 -0.722314617 0.386563029 -1.115700051 -0.71406241 -0.086117344 -0.027144457 -0.03874283 -0.480765104 1.227435644 -0.379911992 0.166794615 -1.547898209 1.112491132 1.130824443 -0.049225988 -0.502927935 0.634211807 -1.816348416 1.2442019 -0.246961257 0.444338639 0.368120005 1.410606799 0.641494918 0.823373026 -1.427155356 -1.287200557 0.864643023 -0.676890896 -0.162134934 0.50218118 -0.453828503 0.5735188 0.824539373 0.90161211 2.09888713 1.331030558 0.785099751 -0.046107201 -3.306573924 1.789299269 0.49067688 1.013493945 1.293686062 -0.618618415 -0.062212765 0.056258739 0.469214734 0.924338651 0.379202453 1.602171115 2.029878225 1.674544653 2.522179508 2.278862183 1.973226141 0.364521616 1.382633242 1.667353323 0.565642699 0.160176143 0.413107663 0.119770002 -0.699645119 -2.108114316 -0.473988758 -1.731938391 -1.198441692 1.371270794 0.912588342 0.309204214 1.816585298 1.305092075 2.152030089 -0.862497948 1.872869259 0.961438514 0.652428121 0.212364179 2.419316584 0.901368604 -0.105366258 0.883818293 0.887073598 -1.950797566 -1.852767827 -0.431785326 -0.762004217 Glycerol-3-Phosphate 0.70792742 -0.769032087 -4.472955239 -1.594124648 -1.099273787 -0.329771147 -2.951181737 -1.787881684 0.074574646 -1.614338636 -1.499154707 -2.562942413 -4.40612602 -3.202355764 -3.321854842 -2.564100316 0.479249214 -1.701126197 -0.894912848 -1.11866304 -2.150602473 -1.01867065 0.386701902 0.779444422 -1.165296346 -1.476468991 -3.474560942 -3.726905798 -2.563117116 -3.880097565 -2.404187199 -2.683751241 1.110069039 1.081023164 -1.916621624 -2.336574012 -0.898321159 0.361297969 -1.038202899 -0.683449651 -3.256900438 -2.814249219 -2.414773662 -3.42378501 -0.563531688 0.662606957 1.418028167 -1.199572577 -3.840253075 -3.089940522 -2.238317746 -2.490606355 0.166757709 -2.713199697 -3.435750687 -0.603246585 -2.399642314 0.810110118 -1.524169004 -1.304446149 -0.363697989 -2.142085603 -2.48181843 -0.509995765 -3.887536097 -2.688994173 -3.650037094 -3.006472897 -5.486257121 -4.691071054 -4.133585402 -3.772762124 0.873533009 2.026459367 -3.104765447 -2.149044966 -0.5099453 1.939024285 1.766710767 0.808738431 1.161499196 -2.88765824 -2.877129538 -2.304490174 0.230506117 -1.109996872 -2.498096281 0.093143591 -2.980423827 -3.041356945 -0.39561173 0.16614216 Fructose 6-phosphate -0.566359988 -2.520216772 -3.028240949 -2.828723385 -1.315908439 -0.324283447 -1.728791328 -1.536550216 -0.698899777 -0.516451539 -0.632340508 -1.112598767 0.634705821 -1.010643102 -0.496421243 -2.180585292 0.267747845 0.256151134 -0.586494108 -1.055526441 0.072616783 -2.339109238 0.5219083 -0.955778327 -0.179914602 -0.415858287 0.630090602 0.018954245 0.176834878 -2.034464621 -1.755413368 0.158377506 -1.400774046 -0.832835864 -0.179304679 -1.015270039 -0.185405799 0.227034254 0.139732269 1.310381922 0.783620546 -0.049250006 -0.610987418 -4.204984649 1.078813777 -0.247826383 0.273260977 0.650018067 -1.309570315 -0.796544397 -0.516805301 -0.228270082 0.324128141 -0.2691568 0.923814067 1.313799299 1.162261585 1.967814437 1.702491668 1.482823526 -0.301391368 0.75689601 1.037327339 0.068807512 -0.486170219 -0.157628415 -0.621019638 -1.412372118 -2.81995445 -0.995207233 -2.279634977 -1.765578491 0.854022745 0.268724972 -0.256292899 1.181029064 0.663577138 1.473930762 -1.232447959 1.260841839 0.364447573 -0.034957892 -0.549545512 1.795988702 0.166704536 -0.791653114 0.091335507 0.098684593 -2.596907943 -2.577612633 -1.111614793 -1.461729094 sedoheptulose-1,7-phosphate -2.743473871 -3.694341113 -3.044063781 -3.474589228 -2.674558265 -2.778647285 -3.382833042 -3.382785859 -2.321913397 -3.439326807 -1.727658582 -2.726946982 -3.331052098 -4.03424849 -2.956335726 -2.862811548 -2.436963797 -2.489227206 -3.388338188 -3.255564225 -3.088928797 -3.761305793 -2.439694283 -3.520933654 -3.371828773 -3.329193219 -2.724305522 -3.280478887 -3.171934726 -3.4041923 -3.755320893 -3.160310374 -4.115792432 -3.174678253 -3.425267096 -4.586385372 -2.993853633 -2.867770796 -2.981143873 -1.999731849 -3.022845455 -2.68647772 -2.966542245 -3.361208997 -2.06680181 -2.662596025 -3.967175695 -2.882180931 -2.946149124 -2.12262225 -3.160601081 -3.084929882 -3.505700709 -3.060275241 -2.349355259 -2.44117886 -2.162714124 -1.862037009 -2.179167662 -2.057803851 -3.380191585 -2.823254255 -2.431871626 -2.627181282 -2.441818407 -3.554501585 -2.659841974 -2.914197753 -3.581869842 -3.687226448 -3.61420092 -3.692193887 -2.65337556 -2.910189017 -2.346490508 -2.318501715 -2.790689594 -2.801734616 -3.079914208 -2.491793556 -2.209795517 -3.033506381 -3.024626797 -3.078844504 -1.736575751 -2.311361954 -2.147422204 -2.450292468 -4.159764398 -3.591621843 -3.006287247 -4.057316828 Cholesterol sulfate -4.015940633 -4.156900792 -4.688380167 -3.81691785 -6.041580451 -3.709691675 -5.304039021 -3.317916744 -3.579097487 1.403076359 -5.819300832 -5.671066597 -4.686198059 -6.020494345 -5.923889858 -5.311673812 -4.716909563 -4.226711504 -4.103102158 -4.555483989 -4.366364487 -5.426647575 -3.974221366 -2.831595904 -1.146289684 -1.040986123 -5.860142536 -6.008612335 -5.469342641 -3.969904176 -4.135876767 -7.06273815 -7.213236438 -6.082906213 -5.371194618 -2.586978572 -2.052623355 -5.076414213 -4.310032267 -4.29592453 -5.164757397 -3.828415629 -2.680778071 -5.165866677 -4.421287532 -5.30418891 -6.511042615 -6.214461076 -5.505621451 -2.084714764 -5.192181606 -6.854316847 -4.347714354 -3.713606634 -4.998986063 -6.45514238 -4.52515792 -6.803997059 -2.82561131 -1.856919923 -8.896070101 -8.341528724 -6.319832239 -6.500582604 -5.216800782 -3.936658724 -1.908304747 2.85967005 -3.414180094 -4.55236503 -5.011377208 -4.750224349 -4.188324744 -6.057116358 -4.383525764 -3.216131811 -4.829059738 -5.974861181 -4.28335747 -3.792732799 -6.611386311 -5.099017927 -7.120652704 -7.012854247 -7.044729893 -4.533431744 -4.753627859 -5.707759235 -1.809155548 -0.609040975 -5.151669984 -3.464046189 Hydroxyisocaproic acid -6.967029091 -6.68762594 -6.510717845 -6.566480524 -6.956971503 -5.960324723 -7.269821468 -6.687451503 -6.715331777 -7.211054497 -6.645813739 -6.823024308 -5.574602605 -4.571860069 -4.793257013 -4.842608416 -6.56957193 -5.362185924 -6.314122541 -6.689571507 -6.966135158 -7.330926542 -5.614697869 -5.225219326 -6.8073301 -6.947338705 -5.699194568 -4.803258986 -5.652428951 -6.076592464 -4.853388828 -4.639631542 -5.954526754 -5.395865767 -6.041435087 -6.390925377 -6.075132075 -5.571157536 -6.562131043 -5.745559425 -6.201782839 -6.19500437 -6.261656629 -6.152287263 -4.881169453 -5.984637278 -5.707912304 -5.616620077 -5.646161115 -5.858471651 -6.002202427 -5.567042541 -6.57533296 -5.659409044 -5.754404485 -5.529171246 -5.509536848 -6.493363299 -6.350820518 -5.396096339 -6.711409898 -5.788376297 -5.379611645 -4.759941706 -5.275647228 -6.205799951 -6.03658157 -4.990928155 -5.693548035 -5.416438502 -5.7075441 -5.739295165 -6.046255763 -6.513948039 -5.974584691 -5.930642298 -6.140945407 -5.694899991 -5.916050757 -5.559843936 -5.90005905 -4.441419688 -5.298379162 -5.538912043 -6.122478904 -6.025664405 -5.264785677 -6.052678511 -7.498967296 -7.247113931 -7.301231947 -6.692552963 Octulose-monophosphate -6.547823652 -6.315268231 -6.459605832 -5.358905431 -6.643718286 -5.977218311 -7.008782397 -6.231676006 -5.843463649 -5.865181115 -6.229229377 -6.142145215 -6.036056262 -6.406619147 -6.085323881 -6.914661526 -5.384649261 -5.590122113 -5.509511601 -5.776076826 -5.525944323 -6.07452123 -4.918952429 -5.909519298 -5.687174564 -5.524169817 -5.76413366 -6.390449713 -5.878487357 -7.586089393 -7.459244343 -5.312019922 -5.619409792 -5.683977878 -5.935088509 -5.815589534 -5.412173065 -4.3652377 -5.398592806 -5.563068986 -6.070065596 -5.949967699 -5.675824091 -6.798869024 -5.094989394 -5.48279719 -5.96804453 -5.113637939 -6.452781727 -5.789877709 -5.493134036 -5.986795417 -5.017574558 -7.914668326 -5.858261193 -4.154720927 -5.774234721 -4.413299371 -5.367021148 -4.794219844 -7.087456964 -6.243978366 -5.584041864 -5.000174096 -7.46892227 -6.168791497 -4.796859225 -6.046095113 -6.798335465 -6.490284575 -6.909055835 -6.141043882 -4.786071461 -5.268468963 -5.835194583 -5.887064614 -5.637523658 -5.567180758 -5.766792054 -5.156963328 -5.253638777 -6.297060688 -7.601400195 -4.528675679 -5.813769884 -5.819223802 -5.746571764 -4.551901994 -6.692253124 -6.446296743 -5.291039652 -5.501571587 Uric acid -0.562165494 -0.928452819 -1.101025652 -0.723220516 -1.589924377 -1.039707468 -0.611329117 -1.208377261 -1.220386427 -1.764981316 -2.106766755 -1.523850661 0.42746781 -0.171736222 -0.003387773 -0.299906985 0.208012351 0.376703024 -1.377675017 -1.849608602 -2.178879826 -1.453088004 -0.241170858 -1.388622721 -1.510261147 -1.607188773 0.275650187 0.529703215 -0.602785998 0.245518617 -0.20902951 -0.25085478 -0.385783218 -0.172982592 -2.581834986 -2.183356526 -1.568246914 -1.377151349 -1.5948256 -0.505274798 -2.237234723 -2.020990113 -1.838271945 -0.240087197 -1.440153189 -1.629754137 0.604152534 -0.607442268 -4.41995866 -0.773449806 -0.127879371 0.195327205 -1.525752845 -3.494883967 -1.687726919 -2.06094 -2.199598131 -2.938671952 -1.161608526 -0.808076239 0.216472746 0.016409814 0.406020654 -0.00205862 1.037269075 -0.360573976 -0.749501084 -0.614709821 0.603316583 0.620346307 -0.579022806 -0.265609221 -0.801600481 -0.352021302 -1.669834778 -1.499345242 -1.866309254 -1.044806915 -1.791917907 -1.280124572 -0.097263878 -0.811635125 -0.178318674 -0.168806045 0.090765246 -1.181455818 -1.086301391 -1.785533462 -1.964088213 -1.816772865 -0.984902863 -1.039373811 metabolite_name Kegg ID Retention Time(min) Precursor Ion Product Ions Polarity Octulose-monophosphate 6.8 319 97 Negative Adenosine triphosphate C00008 6.8 426.1 159 Negative Ketoglutarate C00026 6.7 145 101.1/57.1 Negative UDP-D-glucose C00029 6.5 565 323 Negative Succinate C00042 6.4 117 73/99.9 Negative UDP-N-acetyl-glucosamine C00043 6.4 606 385 Negative Phosphoenolpyruvate C00074 6.3 167 79/63 Negative Glycerol-3-Phosphate C00093 6.6 171.02 79 Negative Anthranilate C00093 5.8 171 79 Negative Ribose-5-phosphate C00108 5.8 136 92 Negative Fumaric acid C00117 5.4 229.01 138.98/96.97 Negative Glutathione disulfide C00122 6.3 115 71.1/27.2 Negative Malic acid C00127 6.8 611 306 Negative UDP-D-glucuronate C00149 6.5 133 115.1/71.1 Negative Lactate C00167 6.5 579 403 Negative Glucuronic acid C00186 6.2 89 43.2 Negative 2,3-Dihydroxybenzoic acid C00191 6.6 193 113/73.1 Negative 3-Phosphoglycerate C00196 3.8 153 109 Negative Maltose C00197 5.8 185 97 Negative Acetyl phosphate C00208 6.6 341.1 161/73 Negative 1,3-Bisphospho-D-glycerate C00227 6.8 139 79 Negative Taurine C00236 4.1 265 79 Negative Inosine C00245 6.3 124 80 Negative Uridine C00294 6 267 135 Negative Dihydroorotate C00299 5.8 243 200 Negative 6-Phospho-D-gluconate C00337 6.2 157 113 Negative 2'-Deoxyguanosine 5'-diphosphate C00345 6.9 275 97 Negative Malonate C00361 6.8 426.12 159 Negative Farnesyl diphosphate C00383 6.5 103.1 59.1/41.1 Negative Shikimate C00448 5.4 381 78.7/189.7 Negative P-aminobenzoate C00493 3.8 173 93 Negative Glucose 6-phophate C00568 5.8 136.05 92 Negative N-Acetyl Aspartic acid C00668 6.5 259 97.1/79.1 Negative Maltotetraose C01042 6.4 174 88.1 Negative Hexose-Phosphate C02672 6.4 257 79 Negative Fructose 6-phosphate C02052 7 665.2 161.1 Negative sedoheptulose-1,7-phosphate C05345 6.5 259 97.1/79.1 Negative Cholesterol sulfate C05382 6.8 289 97 Negative Hydroxyisocaproic acid C18043 3.3 465.2 97 Negative sn-glycerol-3-phosphate 5.4 131.006 85.1 Negative Uric acid C00366 8.8 167.001 124 Negative