metabolite_name NP_2 NP_3 NP_57 NP_58 NP_91 NP_102 P2-4_10 P2-4_11 P2-4_12 P2-4_13 P2-4_14 P11-13_16 P11-13_17 P11-13_18 P11-13_25 P18-20_7 P18-20_15 P18-20_23 P18-20_61 P18-20_69 P18-20_76 LD10_9 LD10_22 LD10_31 LD10_99 LD10_103 I2_79 I2_90 I2_92 I2_93 I2_104 I4_71 I4_72 I4_96 I4_101 I6_66 I6_77 I6_81 I6_94 I6_95 I8_63 I8_67 I8_74 I8_75 I8_97 I8_98 I10_60 I10_64 I10_70 I10_73 R4_24 R4_26 R4_30 R4_32 R4_62 R4_83 ADP 121000.00 152000.00 133000.00 51500.00 114000.00 87000.00 154000.00 183000.00 159000.00 159000.00 248000.00 240000.00 234000.00 196000.00 219000.00 227000.00 179000.00 164000.00 234000.00 195000.00 231000.00 160000.00 200000.00 294000.00 151000.00 164000.00 180000.00 159000.00 201000.00 205000.00 202000.00 187000.00 139000.00 261000.00 299000.00 223000.00 185000.00 228000.00 342000.00 243000.00 228000.00 185000.00 190000.00 217000.00 185000.00 203000.00 236000.00 228000.00 71500.00 230000.00 181000.00 164000.00 172293.50 191760.70 200735.50 184041.60 4-Pyridoxate 382000.00 492000.00 619000.00 701000.00 534000.00 537000.00 574000.00 501000.00 476000.00 479000.00 725000.00 546000.00 650000.00 652000.00 666000.00 936000.00 622000.00 777000.00 956000.00 1170000.00 851000.00 1260000.00 1020000.00 804000.00 1310000.00 1500000.00 1160000.00 1590000.00 1530000.00 878000.00 589000.00 691000.00 534000.00 960000.00 532000.00 481000.00 823000.00 823000.00 529000.00 597000.00 548000.00 600000.00 657000.00 527000.00 774000.00 1070000.00 546000.00 684000.00 539000.00 467000.00 369000.00 438000.00 406191.30 383293.10 587666.60 498011.20 Orthophosphate 105000000.00 114000000.00 86500000.00 67700000.00 83700000.00 85700000.00 114000000.00 93400000.00 102000000.00 102000000.00 118000000.00 140000000.00 111000000.00 90500000.00 104000000.00 124000000.00 145000000.00 122000000.00 125000000.00 110000000.00 137000000.00 132000000.00 135000000.00 101000000.00 133000000.00 125000000.00 131000000.00 165000000.00 136000000.00 124000000.00 135000000.00 113000000.00 125000000.00 111000000.00 102000000.00 140000000.00 119000000.00 106000000.00 93600000.00 133000000.00 126000000.00 159000000.00 105000000.00 127000000.00 134000000.00 119000000.00 153000000.00 123000000.00 154000000.00 141000000.00 127000000.00 111000000.00 139362500.00 102985600.00 126984400.00 116660600.00 Diphosphate 6780000.00 8290000.00 5260000.00 3940000.00 4950000.00 5480000.00 8330000.00 4930000.00 7110000.00 5960000.00 7120000.00 9520000.00 5980000.00 4840000.00 5770000.00 8280000.00 8190000.00 6660000.00 7990000.00 5950000.00 10800000.00 10300000.00 9320000.00 5910000.00 9050000.00 7670000.00 7810000.00 12600000.00 8980000.00 8120000.00 10400000.00 6200000.00 7450000.00 7140000.00 6520000.00 11300000.00 7120000.00 8270000.00 7620000.00 9730000.00 10000000.00 13000000.00 7070000.00 8960000.00 9350000.00 8020000.00 13800000.00 8630000.00 12400000.00 10200000.00 8990000.00 7650000.00 11412200.00 6698458.00 8823171.00 8168910.00 D-Glucose 127000000.00 118000000.00 95300000.00 120000000.00 122000000.00 127000000.00 123000000.00 124000000.00 114000000.00 92400000.00 105000000.00 124000000.00 113000000.00 106000000.00 135000000.00 105000000.00 124000000.00 82900000.00 96400000.00 106000000.00 79500000.00 115000000.00 111000000.00 119000000.00 121000000.00 88300000.00 89900000.00 97900000.00 104000000.00 111000000.00 105000000.00 95400000.00 101000000.00 110000000.00 117000000.00 95300000.00 87200000.00 105000000.00 97100000.00 133000000.00 131000000.00 125000000.00 95000000.00 111000000.00 114000000.00 114000000.00 111000000.00 120000000.00 103000000.00 143000000.00 132000000.00 144000000.00 142340700.00 112616300.00 113656500.00 105857300.00 D-Glucose 6-phosphate 56400000.00 47900000.00 41800000.00 32600000.00 41300000.00 21500000.00 40000000.00 46500000.00 56300000.00 41500000.00 53900000.00 48900000.00 62600000.00 74800000.00 85300000.00 92700000.00 120000000.00 106000000.00 51200000.00 74500000.00 41900000.00 75600000.00 70300000.00 77400000.00 62500000.00 78800000.00 75600000.00 49800000.00 72400000.00 60800000.00 38400000.00 87400000.00 87500000.00 66800000.00 64700000.00 46800000.00 74300000.00 40800000.00 49000000.00 33100000.00 25700000.00 31000000.00 33900000.00 38700000.00 48800000.00 58000000.00 23800000.00 53600000.00 21500000.00 33500000.00 61600000.00 42300000.00 42085720.00 64760090.00 34724520.00 36125030.00 D-Fructose 1-6-bisphosphate 58900.00 49300.00 55000.00 29600.00 48300.00 28600.00 63200.00 57700.00 63300.00 68600.00 66300.00 79900.00 79200.00 85700.00 75600.00 66300.00 111000.00 93500.00 76000.00 79400.00 83300.00 69800.00 94600.00 70300.00 77500.00 75400.00 78300.00 97700.00 69600.00 68600.00 83400.00 79400.00 79900.00 69800.00 87500.00 118000.00 73000.00 61800.00 83100.00 89300.00 74100.00 97200.00 55400.00 77300.00 68100.00 78000.00 73000.00 86500.00 103000.00 79900.00 83100.00 67800.00 100030.30 118177.20 94869.77 80180.37 D-Glyceraldehyde 3-phosphate/Glycerone phosphate 4970000.00 4800000.00 4720000.00 4960000.00 4960000.00 4590000.00 4610000.00 4070000.00 4420000.00 4220000.00 4190000.00 4410000.00 4350000.00 4150000.00 3820000.00 4020000.00 4060000.00 3710000.00 4210000.00 5280000.00 4230000.00 5960000.00 5420000.00 5440000.00 6140000.00 6180000.00 5810000.00 5190000.00 4750000.00 5320000.00 4610000.00 4820000.00 4170000.00 4890000.00 4940000.00 4570000.00 4910000.00 4580000.00 5060000.00 5450000.00 4910000.00 4800000.00 4740000.00 5150000.00 4800000.00 4770000.00 4920000.00 4880000.00 4520000.00 4800000.00 5070000.00 4430000.00 4335772.00 5023886.00 4861020.00 4851326.00 Pyruvate 3690000.00 3700000.00 3920000.00 2870000.00 4060000.00 3370000.00 3250000.00 3440000.00 2840000.00 4080000.00 4190000.00 3740000.00 3490000.00 3170000.00 3550000.00 3840000.00 3300000.00 3660000.00 4450000.00 3610000.00 3780000.00 3890000.00 3710000.00 3430000.00 3970000.00 4310000.00 3620000.00 3240000.00 3460000.00 3680000.00 4390000.00 3540000.00 3500000.00 3820000.00 4200000.00 3500000.00 3630000.00 3890000.00 3700000.00 4010000.00 3300000.00 2900000.00 3970000.00 3480000.00 4030000.00 3480000.00 3080000.00 3230000.00 3730000.00 3550000.00 3430000.00 3970000.00 3658278.00 3833510.00 3868923.00 3560384.00 Lactate 382000000.00 363000000.00 389000000.00 230000000.00 423000000.00 308000000.00 327000000.00 345000000.00 263000000.00 436000000.00 438000000.00 366000000.00 367000000.00 300000000.00 347000000.00 366000000.00 319000000.00 352000000.00 438000000.00 333000000.00 386000000.00 365000000.00 356000000.00 314000000.00 382000000.00 388000000.00 356000000.00 297000000.00 340000000.00 325000000.00 444000000.00 314000000.00 314000000.00 347000000.00 385000000.00 298000000.00 327000000.00 370000000.00 341000000.00 374000000.00 287000000.00 232000000.00 354000000.00 288000000.00 381000000.00 338000000.00 256000000.00 292000000.00 336000000.00 312000000.00 310000000.00 213000000.00 333356900.00 329839300.00 364933400.00 307885500.00 2-Oxoglutarate 512000.00 599000.00 564000.00 461000.00 534000.00 472000.00 429000.00 484000.00 722000.00 602000.00 519000.00 327000.00 427000.00 431000.00 537000.00 535000.00 532000.00 537000.00 565000.00 511000.00 554000.00 430000.00 423000.00 499000.00 532000.00 442000.00 531000.00 584000.00 578000.00 444000.00 388000.00 544000.00 441000.00 276000.00 296000.00 477000.00 517000.00 564000.00 367000.00 236000.00 615000.00 529000.00 418000.00 360000.00 454000.00 450000.00 572000.00 518000.00 597000.00 487000.00 440000.00 447000.00 625960.80 607753.10 467738.30 420253.40 Succinate 35900000.00 29600000.00 27100000.00 27900000.00 34100000.00 21100000.00 13900000.00 27100000.00 18300000.00 27500000.00 27600000.00 21000000.00 26100000.00 32400000.00 32000000.00 42000000.00 38400000.00 35500000.00 31800000.00 30000000.00 30000000.00 33500000.00 32500000.00 39200000.00 31400000.00 34000000.00 22900000.00 28100000.00 28900000.00 32100000.00 26600000.00 28400000.00 20400000.00 28000000.00 32400000.00 18100000.00 22200000.00 24200000.00 15200000.00 19900000.00 20100000.00 14800000.00 21200000.00 23300000.00 22600000.00 24600000.00 22100000.00 30700000.00 17900000.00 22100000.00 21900000.00 20400000.00 14964940.00 24225080.00 23921590.00 19054040.00 Fumarate 957000.00 757000.00 616000.00 432000.00 847000.00 890000.00 1180000.00 952000.00 838000.00 968000.00 908000.00 1410000.00 1020000.00 1110000.00 1050000.00 1610000.00 1030000.00 826000.00 1050000.00 458000.00 795000.00 613000.00 1470000.00 736000.00 979000.00 922000.00 807000.00 767000.00 525000.00 596000.00 565000.00 714000.00 641000.00 510000.00 533000.00 641000.00 596000.00 1070000.00 632000.00 1030000.00 966000.00 1080000.00 618000.00 553000.00 864000.00 517000.00 868000.00 875000.00 1410000.00 1030000.00 1130000.00 1020000.00 1536103.00 1112222.00 910495.80 1361887.00 Malate 15400000.00 11000000.00 9410000.00 5750000.00 13000000.00 13600000.00 19600000.00 15300000.00 13800000.00 15300000.00 13900000.00 22200000.00 15800000.00 18000000.00 16700000.00 26200000.00 17500000.00 12900000.00 17400000.00 8080000.00 12700000.00 9970000.00 24000000.00 12100000.00 15500000.00 15600000.00 12600000.00 12300000.00 8890000.00 9380000.00 9750000.00 11400000.00 10100000.00 8680000.00 8560000.00 10100000.00 10100000.00 17500000.00 10900000.00 17400000.00 16200000.00 19000000.00 11200000.00 8890000.00 13900000.00 8740000.00 13500000.00 13700000.00 22000000.00 15400000.00 17800000.00 16900000.00 21646440.00 18293230.00 14127020.00 21431280.00 Oxaloacetate 278000.00 321000.00 309000.00 297000.00 318000.00 310000.00 310000.00 328000.00 289000.00 324000.00 331000.00 337000.00 307000.00 327000.00 346000.00 317000.00 316000.00 335000.00 306000.00 400000.00 326000.00 332000.00 388000.00 344000.00 321000.00 378000.00 339000.00 346000.00 349000.00 296000.00 372000.00 364000.00 312000.00 360000.00 352000.00 374000.00 370000.00 378000.00 355000.00 372000.00 368000.00 375000.00 399000.00 392000.00 405000.00 390000.00 413000.00 398000.00 377000.00 384000.00 364000.00 314000.00 364048.60 393796.60 399056.80 388699.90 6-Phospho-D-gluconate 60800.00 59200.00 50400.00 43700.00 51900.00 25100.00 41100.00 54500.00 75400.00 48300.00 61900.00 52000.00 64800.00 68500.00 81800.00 85700.00 77600.00 104000.00 48700.00 89000.00 51100.00 75900.00 86500.00 88600.00 62900.00 83100.00 68500.00 74900.00 75300.00 67700.00 39600.00 91200.00 92600.00 94900.00 76000.00 77300.00 72600.00 58900.00 66300.00 50800.00 46100.00 61600.00 63100.00 55700.00 68300.00 71600.00 55600.00 67100.00 34900.00 58100.00 68900.00 64100.00 62033.25 84049.23 52330.94 60830.97 D-Glucono-1-5-lactone 6-phosphate 877000.00 771000.00 603000.00 494000.00 646000.00 348000.00 592000.00 612000.00 867000.00 656000.00 787000.00 774000.00 943000.00 1160000.00 1440000.00 1600000.00 1840000.00 1860000.00 897000.00 1250000.00 628000.00 1330000.00 1230000.00 1340000.00 1090000.00 1290000.00 1280000.00 921000.00 1270000.00 1090000.00 651000.00 1490000.00 1530000.00 1200000.00 1170000.00 814000.00 1410000.00 762000.00 932000.00 686000.00 473000.00 545000.00 672000.00 696000.00 881000.00 1130000.00 435000.00 968000.00 434000.00 616000.00 1140000.00 903000.00 800563.10 1351787.00 649120.10 631275.80 D-Erythrose 4-phosphate 615000.00 485000.00 362000.00 324000.00 418000.00 230000.00 421000.00 442000.00 519000.00 402000.00 493000.00 519000.00 590000.00 746000.00 795000.00 792000.00 1170000.00 1030000.00 488000.00 736000.00 410000.00 718000.00 618000.00 735000.00 632000.00 747000.00 786000.00 516000.00 725000.00 519000.00 323000.00 850000.00 867000.00 644000.00 591000.00 460000.00 799000.00 410000.00 527000.00 353000.00 273000.00 323000.00 388000.00 374000.00 533000.00 541000.00 241000.00 528000.00 232000.00 372000.00 573000.00 424000.00 477423.60 754323.00 373527.20 388928.30 Sedoheptulose 7-phosphate 20200000.00 16600000.00 9180000.00 10400000.00 11600000.00 8320000.00 22700000.00 13500000.00 20700000.00 11700000.00 14700000.00 19800000.00 19300000.00 17500000.00 24900000.00 24000000.00 32300000.00 24800000.00 15800000.00 18000000.00 9820000.00 17500000.00 26800000.00 22500000.00 16100000.00 18100000.00 18300000.00 15900000.00 20800000.00 16200000.00 12600000.00 21700000.00 18800000.00 14900000.00 16000000.00 13400000.00 16700000.00 14000000.00 16000000.00 17400000.00 9640000.00 16300000.00 11900000.00 11000000.00 16400000.00 14100000.00 12100000.00 14600000.00 10300000.00 10800000.00 20600000.00 14100000.00 22967320.00 23975590.00 9971030.00 14443480.00 alpha-D-Ribose 1-phosphate 13300000.00 11000000.00 7160000.00 5750000.00 11400000.00 9670000.00 19700000.00 7720000.00 10600000.00 10100000.00 9930000.00 14600000.00 11200000.00 11800000.00 11500000.00 15400000.00 13100000.00 9770000.00 12400000.00 8660000.00 11700000.00 9920000.00 18200000.00 10000000.00 9350000.00 8900000.00 8030000.00 10100000.00 8650000.00 9990000.00 13200000.00 8180000.00 8340000.00 6720000.00 8710000.00 13900000.00 6950000.00 13100000.00 16400000.00 19900000.00 13900000.00 16400000.00 15100000.00 11300000.00 15100000.00 11800000.00 17800000.00 10600000.00 19300000.00 14800000.00 19900000.00 15800000.00 25636260.00 19702390.00 12342710.00 22945710.00 5-Phospho-alpha-D-ribose 1-diphosphate 296000.00 310000.00 344000.00 336000.00 299000.00 383000.00 223000.00 349000.00 262000.00 328000.00 338000.00 349000.00 278000.00 185000.00 230000.00 221000.00 183000.00 212000.00 299000.00 267000.00 428000.00 281000.00 239000.00 251000.00 372000.00 273000.00 248000.00 378000.00 261000.00 272000.00 486000.00 209000.00 238000.00 283000.00 300000.00 389000.00 294000.00 408000.00 338000.00 391000.00 473000.00 401000.00 388000.00 440000.00 368000.00 321000.00 559000.00 360000.00 458000.00 446000.00 313000.00 333000.00 406057.20 309474.60 446548.80 380314.70 Ascorbate 7630000.00 15800000.00 7650000.00 7360000.00 12400000.00 7280000.00 10100000.00 8780000.00 16900000.00 17200000.00 12600000.00 6740000.00 7010000.00 9170000.00 7230000.00 13200000.00 19600000.00 17000000.00 16300000.00 7860000.00 19400000.00 8570000.00 7750000.00 6140000.00 7220000.00 14000000.00 15900000.00 10400000.00 11000000.00 5750000.00 2530000.00 18300000.00 7550000.00 3610000.00 3340000.00 8450000.00 8620000.00 7420000.00 4810000.00 3420000.00 6650000.00 10600000.00 3310000.00 6110000.00 5630000.00 3990000.00 11400000.00 8060000.00 10600000.00 3440000.00 4480000.00 4300000.00 6957944.00 4474558.00 5725388.00 3650966.00 Dehydroascorbate 6120000.00 8210000.00 7110000.00 6340000.00 5960000.00 6550000.00 5140000.00 6570000.00 10200000.00 6690000.00 7160000.00 4260000.00 5700000.00 5590000.00 6870000.00 7290000.00 7720000.00 6290000.00 8520000.00 6480000.00 7060000.00 5400000.00 5190000.00 6090000.00 7220000.00 6050000.00 8320000.00 7630000.00 7420000.00 4880000.00 4320000.00 7880000.00 6120000.00 3660000.00 3180000.00 5380000.00 6560000.00 7940000.00 4310000.00 3360000.00 7940000.00 5680000.00 4480000.00 4970000.00 4720000.00 5210000.00 7700000.00 6460000.00 6540000.00 5790000.00 5010000.00 5270000.00 7801996.00 6912398.00 6322560.00 5035604.00 3-Phosphonooxypyruvate 10300.00 23400.00 15500.00 11500.00 12000.00 19300.00 14600.00 16600.00 22600.00 25800.00 12500.00 9900.00 19400.00 14400.00 14900.00 25700.00 23000.00 26300.00 26700.00 20300.00 25200.00 15400.00 12000.00 23900.00 15400.00 24000.00 28300.00 15100.00 12600.00 13000.00 4800.00 22100.00 12400.00 10000.00 9440.00 14800.00 19100.00 21200.00 9970.00 6600.00 21600.00 18900.00 11700.00 9090.00 15000.00 15000.00 25200.00 27900.00 27500.00 10700.00 13500.00 9050.00 21958.65 15853.67 18527.99 17453.85 3-Sulfino-L-alanine 713000.00 800000.00 520000.00 737000.00 558000.00 546000.00 840000.00 743000.00 829000.00 500000.00 691000.00 797000.00 632000.00 850000.00 726000.00 588000.00 688000.00 630000.00 757000.00 616000.00 914000.00 680000.00 512000.00 540000.00 584000.00 604000.00 711000.00 710000.00 695000.00 770000.00 660000.00 691000.00 810000.00 610000.00 559000.00 557000.00 543000.00 590000.00 484000.00 583000.00 489000.00 707000.00 459000.00 580000.00 413000.00 530000.00 449000.00 448000.00 568000.00 604000.00 424000.00 593000.00 568867.80 418755.80 731028.80 394543.90 3-Sulfocatechol 0.00 0.00 1270.00 0.00 2000.00 22000.00 2800.00 16700.00 24800.00 31100.00 16000.00 22700.00 20600.00 54400.00 82200.00 6910.00 33200.00 14200.00 46400.00 25700.00 71500.00 67500.00 46200.00 69700.00 35600.00 62100.00 121000.00 23100.00 47400.00 60900.00 87500.00 120000.00 158000.00 107000.00 64700.00 84200.00 64800.00 50100.00 56300.00 65700.00 33500.00 25900.00 30100.00 34600.00 4950.00 57200.00 7790.00 27000.00 19900.00 38100.00 53000.00 21400.00 38769.18 76112.62 45672.34 17207.47 sn-Glycerol 3-phosphate 127000000.00 119000000.00 139000000.00 115000000.00 158000000.00 125000000.00 81300000.00 133000000.00 92600000.00 160000000.00 162000000.00 147000000.00 165000000.00 179000000.00 131000000.00 136000000.00 133000000.00 138000000.00 129000000.00 153000000.00 151000000.00 138000000.00 119000000.00 113000000.00 115000000.00 140000000.00 159000000.00 130000000.00 149000000.00 156000000.00 108000000.00 205000000.00 188000000.00 149000000.00 152000000.00 157000000.00 170000000.00 182000000.00 165000000.00 160000000.00 158000000.00 105000000.00 164000000.00 176000000.00 183000000.00 178000000.00 159000000.00 192000000.00 177000000.00 154000000.00 165000000.00 131000000.00 152287500.00 129786400.00 157962200.00 176199200.00 Ethanolamine phosphate 2990000.00 3370000.00 3590000.00 3980000.00 4080000.00 4290000.00 4480000.00 4900000.00 5110000.00 2700000.00 4420000.00 5960000.00 5190000.00 4570000.00 4090000.00 4130000.00 5110000.00 2960000.00 5030000.00 3860000.00 5590000.00 2380000.00 2430000.00 2160000.00 2540000.00 2710000.00 4140000.00 3780000.00 3180000.00 4210000.00 3220000.00 4200000.00 8420000.00 4040000.00 4770000.00 4030000.00 4580000.00 3920000.00 3530000.00 5180000.00 5960000.00 5180000.00 4040000.00 6820000.00 5300000.00 3970000.00 5370000.00 6400000.00 5260000.00 5790000.00 3810000.00 4400000.00 3459081.00 1662499.00 5186802.00 3298560.00 N-Methylethanolamine phosphate 530000.00 473000.00 425000.00 213000.00 390000.00 245000.00 498000.00 451000.00 268000.00 460000.00 564000.00 550000.00 694000.00 656000.00 841000.00 471000.00 576000.00 475000.00 373000.00 600000.00 514000.00 551000.00 736000.00 552000.00 492000.00 340000.00 453000.00 541000.00 676000.00 515000.00 701000.00 379000.00 397000.00 909000.00 961000.00 462000.00 437000.00 464000.00 530000.00 949000.00 698000.00 392000.00 699000.00 450000.00 676000.00 864000.00 618000.00 661000.00 547000.00 935000.00 834000.00 651000.00 783333.50 872799.90 624665.20 815112.50 sn-glycero-3-Phosphoethanolamine 70900000.00 29300000.00 44800000.00 53600000.00 60600000.00 68500000.00 41500000.00 54700000.00 54200000.00 23800000.00 45400000.00 63600000.00 45400000.00 44300000.00 71900000.00 10700000.00 17400000.00 5150000.00 16500000.00 41100000.00 20700000.00 45300000.00 27800000.00 39800000.00 97800000.00 50100000.00 38200000.00 37800000.00 52100000.00 88600000.00 40100000.00 78400000.00 73400000.00 77500000.00 61200000.00 30000000.00 47800000.00 55000000.00 56200000.00 73300000.00 92600000.00 59900000.00 54900000.00 82400000.00 77800000.00 74600000.00 38000000.00 84400000.00 34900000.00 51800000.00 73500000.00 56800000.00 54300500.00 26251240.00 60208300.00 62468720.00 Acetoacetate 13100000.00 12800000.00 10500000.00 12000000.00 13100000.00 14000000.00 13600000.00 13700000.00 11800000.00 10700000.00 12000000.00 13100000.00 12400000.00 11600000.00 15000000.00 11800000.00 13700000.00 9630000.00 10700000.00 11700000.00 9270000.00 13500000.00 11400000.00 13400000.00 13200000.00 9740000.00 9580000.00 11300000.00 11000000.00 12100000.00 11600000.00 10400000.00 11300000.00 12200000.00 13300000.00 10200000.00 9780000.00 11900000.00 11400000.00 13000000.00 14000000.00 13700000.00 10700000.00 11600000.00 12400000.00 12500000.00 12400000.00 13900000.00 11800000.00 15800000.00 14500000.00 16400000.00 15720260.00 12601540.00 12930740.00 11996620.00 Butanoic acid 220000.00 214000.00 160000.00 153000.00 206000.00 142000.00 151000.00 190000.00 153000.00 189000.00 197000.00 155000.00 222000.00 178000.00 235000.00 210000.00 236000.00 130000.00 130000.00 185000.00 131000.00 158000.00 226000.00 191000.00 208000.00 152000.00 117000.00 175000.00 185000.00 191000.00 180000.00 185000.00 130000.00 223000.00 239000.00 180000.00 133000.00 191000.00 170000.00 220000.00 263000.00 204000.00 173000.00 160000.00 242000.00 188000.00 206000.00 183000.00 154000.00 208000.00 243000.00 296000.00 257465.50 199530.70 206976.00 152444.40 Peptide tryptophan 2440000.00 2300000.00 2390000.00 2530000.00 2210000.00 2020000.00 1820000.00 1820000.00 2140000.00 1870000.00 2250000.00 1350000.00 1290000.00 1410000.00 1660000.00 1210000.00 2020000.00 1230000.00 1230000.00 1910000.00 1380000.00 939000.00 495000.00 316000.00 626000.00 1150000.00 827000.00 428000.00 671000.00 398000.00 317000.00 1460000.00 593000.00 361000.00 432000.00 519000.00 493000.00 555000.00 633000.00 461000.00 746000.00 1250000.00 603000.00 1640000.00 935000.00 768000.00 1590000.00 1020000.00 813000.00 683000.00 1010000.00 913000.00 1053804.00 723946.30 1578283.00 794693.50 Muramic acid 246000.00 269000.00 241000.00 183000.00 171000.00 153000.00 229000.00 193000.00 216000.00 180000.00 178000.00 140000.00 155000.00 137000.00 184000.00 273000.00 248000.00 224000.00 246000.00 171000.00 195000.00 211000.00 114000.00 134000.00 105000.00 78200.00 212000.00 163000.00 154000.00 199000.00 103000.00 185000.00 173000.00 163000.00 197000.00 158000.00 217000.00 115000.00 215000.00 167000.00 174000.00 192000.00 167000.00 166000.00 131000.00 194000.00 174000.00 234000.00 148000.00 127000.00 170000.00 248000.00 213464.80 252728.80 179736.50 174808.40 3-Phospho-D-erythronate 1490000.00 1420000.00 1310000.00 1170000.00 1630000.00 1140000.00 804000.00 1270000.00 942000.00 1490000.00 1480000.00 1340000.00 1510000.00 1680000.00 1360000.00 1620000.00 1640000.00 1560000.00 1540000.00 1670000.00 1680000.00 1740000.00 1460000.00 1440000.00 1390000.00 1660000.00 1740000.00 1580000.00 1660000.00 1760000.00 1250000.00 2160000.00 1900000.00 1620000.00 1760000.00 1670000.00 1660000.00 1790000.00 1620000.00 1640000.00 1670000.00 990000.00 1720000.00 1920000.00 1760000.00 1840000.00 1710000.00 1950000.00 1720000.00 1630000.00 1690000.00 1530000.00 1582662.00 1173103.00 1847720.00 1641220.00 Catechin 4380000.00 2180000.00 1430000.00 1470000.00 2440000.00 1830000.00 3140000.00 1940000.00 1680000.00 1520000.00 2130000.00 2570000.00 2690000.00 2270000.00 3550000.00 4110000.00 6740000.00 2210000.00 2880000.00 2090000.00 1520000.00 3300000.00 3640000.00 3930000.00 2880000.00 1520000.00 1030000.00 2160000.00 2330000.00 2750000.00 3150000.00 1270000.00 1680000.00 1510000.00 1520000.00 893000.00 640000.00 1720000.00 2210000.00 2670000.00 1840000.00 1800000.00 1840000.00 1610000.00 1880000.00 3120000.00 1780000.00 1280000.00 1210000.00 1570000.00 3240000.00 2660000.00 3895546.00 3292680.00 1401746.00 2342305.00 D-Alanyl-alanyl-poly(glycerolphosphate) 33000.00 35800.00 38000.00 79000.00 36100.00 60500.00 27900.00 72200.00 30200.00 31700.00 24800.00 76900.00 73700.00 70300.00 70800.00 416000.00 334000.00 99100.00 308000.00 49900.00 99300.00 23800.00 11600.00 10400.00 19800.00 11000.00 23400.00 10000.00 20300.00 10600.00 31000.00 9740.00 34100.00 54800.00 74200.00 12700.00 47100.00 8590.00 39900.00 84200.00 80800.00 108000.00 50100.00 60800.00 50500.00 43100.00 75300.00 88500.00 81400.00 108000.00 77300.00 136000.00 79255.15 44963.98 30915.69 90634.10 alpha-N-Peptidyl-L-glutamine 174000.00 147000.00 75100.00 150000.00 141000.00 242000.00 288000.00 83100.00 276000.00 216000.00 143000.00 406000.00 178000.00 110000.00 139000.00 196000.00 154000.00 145000.00 198000.00 62100.00 169000.00 180000.00 350000.00 169000.00 106000.00 87100.00 94800.00 46900.00 81800.00 109000.00 159000.00 33400.00 46900.00 47000.00 84700.00 125000.00 61400.00 226000.00 223000.00 227000.00 109000.00 269000.00 143000.00 185000.00 158000.00 99400.00 329000.00 144000.00 169000.00 181000.00 146000.00 164000.00 218352.10 123847.60 175073.20 160082.50 S-Acylglutathione 2440000.00 2230000.00 2550000.00 3170000.00 4880000.00 3000000.00 4050000.00 3950000.00 3540000.00 4480000.00 9040000.00 2330000.00 5460000.00 2550000.00 4040000.00 2020000.00 1940000.00 2110000.00 2830000.00 5470000.00 3250000.00 1550000.00 2490000.00 1670000.00 2100000.00 1960000.00 4330000.00 2360000.00 1990000.00 1960000.00 2420000.00 9760000.00 3040000.00 4170000.00 2400000.00 2990000.00 2880000.00 3520000.00 1660000.00 3740000.00 2600000.00 3370000.00 2400000.00 2550000.00 3650000.00 2800000.00 3250000.00 2980000.00 2580000.00 3040000.00 2100000.00 1650000.00 2686455.00 1137896.00 2588461.00 4028762.00 N-Amidino-L-aspartate 301000.00 397000.00 283000.00 298000.00 211000.00 246000.00 204000.00 330000.00 254000.00 273000.00 196000.00 320000.00 216000.00 317000.00 312000.00 620000.00 453000.00 441000.00 419000.00 211000.00 224000.00 272000.00 947000.00 657000.00 114000.00 230000.00 150000.00 40100.00 88900.00 64500.00 127000.00 112000.00 53100.00 91000.00 60300.00 125000.00 113000.00 107000.00 89900.00 125000.00 99700.00 126000.00 112000.00 105000.00 122000.00 116000.00 142000.00 155000.00 281000.00 94300.00 267000.00 219000.00 198175.80 280598.30 211505.10 139665.60 threo-3-Hydroxy-L-aspartate 455000.00 481000.00 498000.00 607000.00 552000.00 522000.00 693000.00 680000.00 590000.00 323000.00 559000.00 628000.00 675000.00 691000.00 640000.00 535000.00 521000.00 518000.00 559000.00 827000.00 459000.00 512000.00 453000.00 504000.00 779000.00 459000.00 1040000.00 1060000.00 933000.00 997000.00 598000.00 616000.00 927000.00 538000.00 482000.00 531000.00 392000.00 558000.00 508000.00 451000.00 626000.00 925000.00 485000.00 621000.00 605000.00 423000.00 640000.00 818000.00 523000.00 670000.00 510000.00 514000.00 493543.20 393303.60 660527.90 495012.30 Oxalosuccinate 17500.00 32600.00 45500.00 64900.00 58200.00 43300.00 19400.00 42600.00 32800.00 49200.00 21700.00 11200.00 12400.00 33700.00 25800.00 16700.00 57100.00 10100.00 35200.00 18900.00 35700.00 12500.00 11000.00 9650.00 13000.00 21000.00 59800.00 40200.00 24700.00 44700.00 9070.00 39100.00 22300.00 14300.00 2960.00 14800.00 20900.00 45700.00 11000.00 1810.00 38500.00 30200.00 16400.00 15000.00 21200.00 51100.00 56500.00 36900.00 65000.00 30600.00 23600.00 11100.00 30635.90 11923.93 27532.67 15301.67 metabolite_name retention index quantified m/z PubChem ID KEGG ID ADP C00008 4-Pyridoxate C00847 Orthophosphate C00009 Diphosphate C00013 D-Glucose C00031 D-Glucose 6-phosphate C02965 D-Fructose 1-6-bisphosphate C00354 D-Glyceraldehyde 3-phosphate/Glycerone phosphate C00118 Pyruvate C00022 Lactate C01432 2-Oxoglutarate C00026 Succinate C00042 Fumarate C00122 Malate C00149 Oxaloacetate C00036 6-Phospho-D-gluconate C00345 D-Glucono-1-5-lactone 6-phosphate C01236 D-Erythrose 4-phosphate C00279 Sedoheptulose 7-phosphate C05382 alpha-D-Ribose 1-phosphate C00620 5-Phospho-alpha-D-ribose 1-diphosphate C00119 Ascorbate C00072 Dehydroascorbate C05422 3-Phosphonooxypyruvate C03232 3-Sulfino-L-alanine C00606 3-Sulfocatechol C06336 sn-Glycerol 3-phosphate C00093 Ethanolamine phosphate C00346 N-Methylethanolamine phosphate C01210 sn-glycero-3-Phosphoethanolamine C01233 Acetoacetate C00164 Butanoic acid C00246 Peptide tryptophan C02732 Muramic acid C06470 3-Phospho-D-erythronate C03356 Catechin C17590 D-Alanyl-alanyl-poly(glycerolphosphate) C04457 alpha-N-Peptidyl-L-glutamine C03905 S-Acylglutathione C02589 N-Amidino-L-aspartate C03139 threo-3-Hydroxy-L-aspartate C11511 Oxalosuccinate C05379