#METABOLOMICS WORKBENCH xunmeng_20190609_052516 DATATRACK_ID:1733 STUDY_ID:ST001191 ANALYSIS_ID:AN001983 VERSION 1 CREATED_ON 03-03-2022 #PROJECT PR:PROJECT_TITLE Metabonome of ginsenoside PR:PROJECT_TYPE Metabonomics PR:PROJECT_SUMMARY Metabonome profiling analysis reveals the protein-metabolite interaction network PR:PROJECT_SUMMARY of ginsenoside anti-tumor PR:INSTITUTE Nankai University PR:DEPARTMENT State Key Laboratory of Medicinal Chemical Biology PR:LABORATORY Bai group PR:LAST_NAME Zhihua PR:FIRST_NAME Wang PR:ADDRESS 38 Tongyan Road PR:EMAIL 15822278821@163.com PR:PHONE 02285358344 PR:DOI http://dx.doi.org/10.21228/M8WD6C #STUDY ST:STUDY_TITLE Metabolome of ginsenoside anti-tumor ST:STUDY_TYPE Metabonomics ST:STUDY_SUMMARY Metabonome profiling analysis reveals the protein-metabolite interaction network ST:STUDY_SUMMARY of ginsenoside anti-tumor ST:INSTITUTE Nankai University ST:DEPARTMENT State Key Laboratory of Medicinal Chemical Biology ST:LABORATORY Bai group ST:LAST_NAME Zhihua ST:FIRST_NAME Wang ST:ADDRESS 38 Tongyan Road ST:EMAIL 15822278821@163.com ST:PHONE 02285358344 ST:SUBMIT_DATE 2019-06-09 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - NEG C-1 Treatment:Control SUBJECT_SAMPLE_FACTORS - NEG C-2 Treatment:Control SUBJECT_SAMPLE_FACTORS - NEG C-3 Treatment:Control SUBJECT_SAMPLE_FACTORS - NEG C-4 Treatment:Control SUBJECT_SAMPLE_FACTORS - NEG C-5 Treatment:Control SUBJECT_SAMPLE_FACTORS - NEG C-6 Treatment:Control SUBJECT_SAMPLE_FACTORS - NEG QC-1 Treatment:QC SUBJECT_SAMPLE_FACTORS - NEG QC-2 Treatment:QC SUBJECT_SAMPLE_FACTORS - NEG QC-3 Treatment:QC SUBJECT_SAMPLE_FACTORS - NEG S-1 Treatment:Sample SUBJECT_SAMPLE_FACTORS - NEG S-2 Treatment:Sample SUBJECT_SAMPLE_FACTORS - NEG S-3 Treatment:Sample SUBJECT_SAMPLE_FACTORS - NEG S-4 Treatment:Sample SUBJECT_SAMPLE_FACTORS - NEG S-5 Treatment:Sample SUBJECT_SAMPLE_FACTORS - NEG S-6 Treatment:Sample #COLLECTION CO:COLLECTION_SUMMARY Total metabolites was extracted from the per group cell (~1x10e7) using 1 ml of CO:COLLECTION_SUMMARY methanolic acetonitrile aqueous solution (2:2:1, v/v), vortex for 60 s, CO:COLLECTION_SUMMARY hypothermia for 30 min, 2 times, place the protein for 1 h at -20 ° C, CO:COLLECTION_SUMMARY centrifuge at 14000 rcf for 20 min at 4 ° C, and freeze the supernatant. -80 ° CO:COLLECTION_SUMMARY C to save the sample CO:SAMPLE_TYPE Tumor cells #TREATMENT TR:TREATMENT_SUMMARY After cells growth in 37°C for 12 h, 0.25mg/mL ginsenosides was fed of each TR:TREATMENT_SUMMARY well and continue cultured with for 12h #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Total metabolites was extracted from the per group cell (~1x10e7) using 1 ml of SP:SAMPLEPREP_SUMMARY methanolic acetonitrile aqueous solution (2:2:1, v/v), vortex for 60 s, SP:SAMPLEPREP_SUMMARY hypothermia for 30 min, 2 times, place the protein for 1 h at -20 ° C, SP:SAMPLEPREP_SUMMARY centrifuge at 14000 rcf for 20 min at 4 ° C, and freeze the supernatant. -80 ° SP:SAMPLEPREP_SUMMARY C to save the sample #CHROMATOGRAPHY CH:INSTRUMENT_NAME Agilent 1290 CH:COLUMN_TEMPERATURE 25 ° C CH:FLOW_RATE 0.3 mL/min CH:SOLVENT_A water + 25 mM ammonium acetate + 25 mM ammonia CH:SOLVENT_B Acetonitrile CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5600 TripleTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:MS_COMMENTS The ESI source conditions after HILIC chromatographic separation are as follows: MS:MS_COMMENTS Ion Source Gas1 (Gas1): 60, Ion Source Gas 2 (Gas 2): 60, Curtain gas (CUR): 30, MS:MS_COMMENTS source temperature: 600 ° C, Ion Sapary Voltage Floating (ISVF) ± 5500 V MS:MS_COMMENTS (Positive and negative modes); TOF MS scan m/z range: 60-1000 Da, product ion MS:MS_COMMENTS scan m/z range: 25-1000 Da, TOF MS scan accumulation time 0.20 s/spectra, MS:MS_COMMENTS product ion scan accumulation time 0.05 s/spectra; secondary mass spectrometry MS:MS_COMMENTS is obtained using information dependent acquisition (IDA), and uses high MS:MS_COMMENTS sensitivity mode, Declustering potential (DP): ±60 V (both positive and MS:MS_COMMENTS negative modes), Collision Energy: 35±15 eV, IDA settings are as follows MS:MS_COMMENTS Exclude isotopes within 4 Da, Candidate ions to monitor per cycle: 6 MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples NEG C-1 NEG C-2 NEG C-3 NEG C-4 NEG C-5 NEG C-6 NEG QC-1 NEG QC-2 NEG QC-3 NEG S-1 NEG S-2 NEG S-3 NEG S-4 NEG S-5 NEG S-6 Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:QC Treatment:QC Treatment:QC Treatment:Sample Treatment:Sample Treatment:Sample Treatment:Sample Treatment:Sample Treatment:Sample 12_13-EODE 3579.1998 2709.8476 3231.0000 2701.9149 2897.8380 2975.3081 4129.3405 4872.4032 3857.4800 4053.6363 3003.2965 3246.5860 3829.6489 3332.6499 5702.5434 1H-Isoindole-1_3(2H)-dione 2684.8459 3104.3230 2069.4242 3022.8000 737.7480 2851.3801 2677.6987 3350.4929 2467.3724 2025.7803 1699.6874 5082.0517 1672.6360 1246.3754 4553.4380 1-Palmitoyl-2-oleoyl-phosphatidylglycerol 18533.8362 21143.4062 15972.8786 16780.3327 19774.0030 14556.7548 13217.0699 14050.1064 13071.9245 14500.9595 6540.4600 14136.0601 18785.4389 8692.0874 15780.3913 2^-Deoxyinosine 2298.7686 1667.6238 1599.9392 1285.6582 1659.8917 1690.8093 3313.8504 3629.8855 3038.3301 2680.7400 2580.4443 2378.4625 3940.8538 2368.7001 3550.6882 2-Deoxyuridine 6159.0132 5621.2247 4102.8337 5602.6549 4646.2768 3558.4984 6732.1554 7603.7957 7541.6118 8162.1188 6369.9685 6816.1347 7838.9488 4081.3239 7551.5366 2E-Eicosenoic acid 120358.8978 128783.0436 128645.2444 111813.3581 129281.2452 119583.6070 74438.6359 53690.6205 48553.1430 87664.3351 84686.3331 95270.0623 91479.9775 88614.7546 76992.9501 2-OXOADIPATE 2011.1474 1296.5943 2513.3889 2455.8462 4690.5311 2080.3203 2105.4579 2699.9647 1443.1481 1160.3911 1928.4668 1549.4158 1002.6609 730.2242 1597.1947 2-Oxoadipic acid 1889124.0830 1854558.7200 1959417.8190 1745376.9120 1962569.9820 1758672.3370 2534566.6500 2462355.5020 2485020.7110 2001074.5160 1899182.6810 2197779.5360 1956009.6670 1885163.6150 2382519.0040 3-Chlorotyrosine 464.4811 889.5880 671.2053 522.8532 775.8799 909.4903 1371.6794 1185.1705 854.1306 454.3014 879.9364 595.9368 678.1627 558.3940 1389.6267 3-Methyluridine 21177.6692 22728.6462 15768.5610 17593.8585 15440.2448 16235.2442 12745.5787 15103.7783 15877.2590 1011.6656 1964.5698 1722.2060 2282.0675 1686.7341 2197.6756 4-Hydroxyglucobrassicin 4308.7767 2824.2605 4565.1710 3231.5943 5894.0622 2618.5466 2569.5717 2249.6919 2853.9726 3290.2247 3240.0160 3946.3243 3512.7193 3050.2184 2802.8628 Adenine 45409.5908 36543.2102 42535.9354 37689.4170 40350.4243 36081.1453 46825.9905 49539.7168 48430.6580 31311.1816 27695.0580 26330.0366 27737.5516 27145.8877 35273.0721 Adenosine monophosphate (AMP) 55985.2674 43323.7745 44140.8745 41096.6972 42914.6545 44788.7157 39917.7824 48774.6530 44876.3989 54925.6648 42935.0236 54737.1003 54752.3942 51714.7753 58152.4591 Baicalin 299.8710 1197.4860 902.0803 691.3972 423.8889 977.3467 1823.4315 1567.8720 1367.4954 1023.5675 592.2446 1014.0553 547.1632 609.4737 1933.7000 Beta-D-Fructose 6-phosphate 10607.1125 8119.9418 7723.8645 8904.7861 8952.1645 7020.7273 6880.5226 8799.7986 8231.3178 6977.0245 5638.0769 5179.5744 4857.7100 5283.2150 7405.7794 Creatine 37324.8056 33487.0086 35573.7792 32918.9100 35533.2442 32727.0860 39394.2965 39967.0710 40864.7750 27246.2149 28166.9926 26586.6966 26851.0413 27691.2329 29975.9928 Cytidine 5^-diphosphocholine 1321.4382 1173.6527 1269.8279 1102.1346 1365.2130 1504.7775 1535.0705 1571.8824 1638.1581 951.6431 1095.0035 1100.4420 1030.2352 1057.1196 1206.5124 Cytidine monophosphate N-acetylneuraminic acid 16475.8557 14012.3897 15365.8741 13843.8864 15404.5478 15060.3636 18714.1373 19114.1045 20894.5873 11989.6585 12890.6304 12593.2795 12988.9564 12587.7675 14889.4954 D-Fructose 3679.5450 2834.9336 3749.3788 2257.1976 2575.1070 2754.5370 5122.1427 5172.9271 5015.1470 5478.1405 6672.8975 6586.0968 4542.0678 5286.2570 5562.2725 D-Fructose 1_6-bisphosphate 49353.1796 44140.9635 43646.7927 41021.1351 44229.9584 45280.2867 59362.2800 75175.8800 69431.2667 39464.0962 29773.5840 36788.6721 42604.4457 35856.7300 49533.3848 Dihomo-gamma-Linolenic Acid 31310.1352 27126.8946 36880.7788 28513.6990 30757.1565 28429.3910 33303.9368 23261.7593 15045.4684 25658.4000 23922.1413 26178.6960 27297.2350 22568.6326 32301.0909 Dihydrozeatin 956.0191 1123.3611 1141.9841 871.4253 1025.7928 958.4456 1317.4098 1290.5694 1003.6071 462.3764 543.6815 437.7672 776.7569 326.0280 569.2534 D-Mannose 22806.2709 18958.4838 21065.6698 14795.1767 17158.2043 17304.1288 33988.4716 33107.8240 30328.7568 29262.8685 32704.6087 34467.5264 27264.1829 28623.5768 45053.4811 Docosatrienoic Acid 16215.0133 13809.9137 14744.9340 14610.9205 15154.6932 13986.1076 10620.1425 7263.6000 6429.2590 11513.8202 9604.6377 11116.8000 10364.4149 12044.0362 10635.2421 Dodecanoic acid 90517.2497 80200.0986 83427.1609 72158.4977 83920.5415 81210.9646 116766.9389 137008.3373 110958.5462 96386.4413 83433.8268 94543.3680 103703.8222 82914.6990 104480.4095 D-Proline 130627.6105 121291.5040 120902.1043 119450.9134 129817.9291 119068.2464 205840.1160 221115.8700 229368.0502 178238.3566 166273.8506 164456.5450 167660.1716 175002.8650 205929.3235 Eicosapentaenoic acid 18840.2190 15128.9860 18540.0026 19190.5650 16427.5836 17996.2970 43574.1888 42818.9122 30231.4423 28025.6714 16555.3744 26617.7501 24092.6677 14847.1118 22652.4900 Erucic acid 30089.1855 27698.4849 29617.1963 29745.4935 28315.0877 27260.4206 13607.4532 10730.6694 11334.7173 23667.8359 18559.9718 22079.3076 24052.4149 20932.8658 11993.3365 Ginsenoside Re 2151.0753 1922.6654 1898.1160 1939.0680 2251.6808 1756.0674 3989.1091 4405.8168 4387.2373 3873.2772 3729.0000 3931.7309 3896.2857 3736.3567 4888.1333 Ginsenoside Rg3 40070.4652 33203.3757 35785.6626 32670.8760 10957.1597 33158.4094 80273.4975 69066.2700 40821.3731 79451.1452 81230.5121 79157.6466 78323.9968 78628.3598 98445.3587 Guanosine 7870.6665 6439.6723 7772.0611 6521.1416 6868.2612 6963.3752 12775.1130 13737.4355 13277.1358 10276.8996 9524.4174 10371.2226 9871.1610 9248.6897 12144.6439 Hippuric acid 6273.8544 5699.6587 5723.3716 5780.1416 6077.2833 5517.7963 8616.0348 7492.2883 6371.9503 8125.0183 7763.1958 8388.0168 8640.6817 7430.8940 9312.4449 His 8755.3888 9796.4525 7397.6305 10359.7263 8187.0722 10846.9064 9674.7897 17525.5093 13874.4227 5408.9689 12453.6722 12124.6268 9780.1831 11647.6579 14526.1350 Hypoxanthine 17498.2389 13129.5946 16202.7452 12986.8304 14971.9259 14324.7093 23869.1611 26198.3474 25699.5338 20425.4252 18353.9315 16721.8754 19303.1373 19069.9612 21866.6983 Kynurenine 737.8881 1032.1268 318.2349 731.8170 474.3200 446.0439 776.2029 1159.0452 1183.5735 992.8272 356.6897 717.9069 1770.6943 448.7004 1434.1499 Lamivudine 1662.5351 1638.6790 1722.7489 1094.8708 1430.4642 1542.3627 2463.4253 2334.5990 2394.9182 1515.0591 1549.3316 1312.1377 1659.3761 1426.7220 2112.9722 L-Aspartate 13068.9694 11555.2008 11526.5774 10720.3264 12122.5004 11093.9662 12726.6717 15282.0222 14076.6794 7416.1835 6922.5738 7510.6160 6927.1128 6510.6156 9531.1068 L-Leucine 163177.7991 141317.3561 164007.7748 126090.3104 149240.4326 151970.7204 249592.7252 273344.4753 270269.9962 194005.2975 191881.8098 191875.0746 180931.1093 190841.0534 229331.7166 L-Methionine 13797.3007 10843.9361 12412.2784 9523.6890 11669.1239 11012.5365 20627.6128 23927.9296 25403.0411 15633.7304 15495.6442 14811.8250 12541.6825 14113.4278 19914.7814 L-Phenylalanine 110766.9186 88135.9979 106760.6424 96421.2283 104840.3800 95134.2408 163824.8407 139479.8706 193976.8301 131486.6943 130468.5227 117390.1917 126603.6895 118791.1353 178163.7370 L-Pyroglutamic acid 121024.1902 118308.8009 124462.9803 105310.2810 124378.6897 108474.9514 171393.3878 198944.3078 190230.5346 137758.8042 138833.7559 142566.0746 136472.4243 135261.9977 160632.6145 L-Tyrosine 14843.0419 10453.8633 14538.7637 10065.8686 13419.6567 11364.0700 27073.6286 25539.9798 29967.6634 16500.6428 14876.5102 16664.0378 15350.8849 14739.1468 23234.1670 Lumichrome 8078.1214 6708.2010 6082.3502 6538.2726 6587.1912 4573.5356 5077.3056 5628.9754 5013.7785 4497.9513 3969.1484 3753.0000 5643.1749 3619.8162 4936.4166 L-Valine 62667.0690 54505.0609 60775.0734 53107.9002 57846.7465 55741.6402 90038.4610 98708.7859 103542.1424 69177.0083 70802.5991 66724.8534 66798.3328 70215.0222 87749.0840 myo-Inositol 294994.7635 274091.4648 279018.8196 258040.4207 277258.7690 273477.9138 362137.1298 369627.1591 351102.9575 254848.3342 215992.0656 230397.4739 226107.8291 230215.5803 299771.8554 Myristoleic acid 37347.9011 35201.0553 33041.8847 31517.5851 33822.8141 32669.2677 36931.4309 39352.5415 36464.4183 29277.4350 27196.5271 31696.2649 29241.4772 28313.4000 37962.3828 N-Acetylaspartylglutamate (NAAG) 37164.9403 35009.0622 40380.0718 31056.9000 34955.9770 34512.0735 47875.6199 52856.9130 53623.3091 44965.0338 38237.5134 40046.6904 42297.0069 39920.1150 49437.0490 N-Acetyl-L-aspartic acid 142588.5574 137163.0938 135900.3173 129009.1287 132155.4713 127417.8738 180876.3429 203269.1700 205351.0748 156381.5725 145944.4394 150208.1380 138614.1705 132293.5538 181692.0782 N-ACETYL-L-LEUCINE 1454.7471 1453.6339 1162.3127 1368.0000 984.2447 1100.1167 1646.8246 1790.2213 2097.9990 1672.9278 1132.6350 1224.1587 2365.8014 1199.7347 1913.2322 N-carbamoyl-L-aspartate 7109.7966 6482.0228 6870.6963 6202.3659 6853.8213 6938.9518 4362.6767 5458.3896 4858.2439 605.3012 546.8887 549.8280 534.8730 517.7775 583.2983 Nervonic acid 21307.5270 20168.7067 20279.6911 18087.5381 21707.7738 19219.8092 7532.9607 6572.3914 7384.7631 18584.1555 13287.3898 17175.7576 18807.9430 14926.8755 7436.2226 Oleic acid 1672084.8430 1545584.9610 1643880.9100 1462805.0690 1641997.6060 1462355.7420 1429487.0490 1017176.1610 701148.0881 1217832.6630 1130290.7710 1219564.8920 1251313.2730 1126075.3180 1438825.3150 O-Phosphoethanolamine 28394.2641 26006.3266 28324.8705 23377.3241 27101.0566 25871.5215 30007.8761 33216.8453 30262.3321 24901.8065 22347.8051 23684.1169 24528.1794 18743.0813 27518.4327 Orotate 27602.4157 23535.1355 22719.1620 23287.0075 24841.4792 27158.4914 18294.0170 18983.6582 19329.2311 523.5776 2037.7085 963.4408 1968.5479 737.1926 1189.7882 Palmitic acid 146721.9853 123540.4745 122365.9253 116925.2064 122123.1588 121895.2192 120783.5368 13456.1960 54762.7238 101633.0788 81369.2792 116530.5105 120626.7278 96992.0671 93210.3276 Pantothenate 96088.0418 80406.5856 100492.5128 69673.0997 89560.6742 82772.1135 195732.1683 209962.8370 215887.9270 174119.7741 179149.0861 164737.7520 174202.7396 174535.1570 207500.9571 PHENATURIC ACID 4354.1901 4179.0548 3895.9012 3948.0519 4238.0711 3993.6759 8107.6584 8899.4560 8427.8584 4573.6123 3886.1196 6466.3272 4588.0620 3886.2300 4568.1759 Phosphatidylinositol 16 4520.3654 4158.8248 4564.2167 4342.0850 4759.2968 4506.4661 2757.8248 2612.3397 2529.3663 4233.8104 2419.7351 4732.5944 4197.0162 3396.2783 2477.7667 Phosphorylcholine 81113.0064 76713.4887 100524.8200 68284.4195 101384.2419 93657.9517 138925.2711 137964.5387 154959.5239 111713.5100 106005.3320 108278.8597 114844.5382 104975.6422 135679.4493 Pseudouridine 20078.5660 15941.0098 18397.2503 16582.4221 17846.6469 15556.8840 17651.2563 18574.3618 19391.0552 7303.2637 7741.5886 8269.9366 7455.1706 8085.4884 9398.7584 Repaglinide 8199.9808 7662.8391 7615.6759 7911.1983 7583.7887 6803.6446 15216.7294 15540.2452 13520.2667 16846.1554 14943.7217 16121.1816 14192.5233 14773.0311 19117.4253 Retinoic acid 3211.9988 2042.4000 3662.0409 4974.2403 3372.5227 3741.6728 7327.5221 7061.8295 7023.2178 10115.9630 2625.8100 4220.8966 5983.7708 3555.7346 4682.9095 Sorbitol-6-phosphate 3486.1488 4432.0327 2237.0949 2237.8962 5018.1336 2463.6712 6174.3957 5279.6490 6502.7538 7916.9033 6739.1017 5508.7175 5192.0517 5579.1745 9291.4987 Sulfamethoxazole 8703.3769 9693.3835 8179.2923 8020.3899 6712.8096 8073.2068 16253.8557 16051.3749 19050.9777 9702.3097 9448.3960 12716.0184 11579.3040 8143.6232 15772.1201 Taurine 138888.0425 133146.9944 144187.5496 122236.9925 147413.9294 141140.1705 165126.2950 181715.2080 178534.3154 117079.9733 117541.8755 123167.3885 116962.9647 118978.6913 138447.8281 Thiazolidine-4-carboxylic acid 1144.7788 1417.8775 413.1426 1059.2877 1207.8739 708.6752 1844.9713 1788.7449 1944.9068 1823.6192 516.6650 1072.0834 1351.7817 718.5675 1773.9429 Thymidine 11544.8364 12956.4414 9572.7485 11890.6750 10971.6336 10157.5566 12425.3499 13832.9111 7035.8089 20479.4872 14176.7975 14468.3163 18232.3310 14510.5016 20213.9413 Thymine 12319.1049 9600.7974 4713.2831 10959.5961 8836.5886 7721.9988 11390.9345 8886.5698 3811.6322 4082.0867 6356.1056 6229.7758 8759.7047 6125.9933 5652.8027 Uracil 10140.7180 8810.8553 9130.5877 8202.2532 8739.7911 8291.3041 7063.7370 7335.3848 6731.7578 1028.3747 693.0282 538.5105 843.6220 829.0179 1109.3617 Uridine 12176.0919 9778.0334 10780.8907 9250.3309 10195.9069 9941.5325 17508.2990 20315.9444 20294.9285 19548.7930 15469.0041 14697.1911 16061.0580 15693.6468 19247.2641 Uridine 5^-diphosphoglucuronic acid (UDP-D-glucuronate) 32126.5063 28125.1053 34184.2769 21501.4383 29596.9444 26863.0206 37478.6753 35087.7800 44820.8187 20944.5267 23910.1358 23849.5113 20121.7169 24574.1605 30137.4846 Xanthosine 1919.9727 1301.9478 1448.7245 1561.2981 1612.3008 1491.2060 1438.7179 1754.7074 1509.3162 733.9804 677.8881 618.6471 626.0551 489.9959 744.6643 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 12,13-EODE 5283014 89.284 295.2282645 1H-Isoindole-1,3(2H)-dione 6809 72.4335 146.0250182 1-Palmitoyl-2-oleoyl-phosphatidylglycerol 5282293 87.0825 747.5193755 2'-Deoxyinosine 135398593 C06196 342.398 251.0790932 2-Deoxyuridine 13712 C00526 218.515 227.0675746 2E-Eicosenoic acid 86289706 78.357 309.2804048 2-OXOADIPATE 71 C00322 286.435 159.0302545 2-Oxoadipic acid 71 C00322 668.518 141.0171213 3-Chlorotyrosine 11092 360.162 214.0273745 3-Methyluridine 99592 152.5385 317.0990665 4-Hydroxyglucobrassicin 9576741 C08422 183.9385 463.0526351 Adenine 190 C00147 302.02 134.0474371 Adenosine monophosphate (AMP) 6083 C00020 830.563 346.0565105 Baicalin 64982 C10025 666.993 445.0798512 Beta-D-Fructose 6-phosphate 440641 C05345 881.946 259.0232202 Creatine 586 C00300 662.458 130.0623004 Cytidine 5'-diphosphocholine 13804 C00307 853.183 487.1005272 Cytidine monophosphate N-acetylneuraminic acid 448209 C00128 853.667 613.1418514 D-Fructose 2723872 C02336 588.658 359.1201613 D-Fructose 1,6-bisphosphate 445557 C00354 976.61 338.9898891 Dihomo-gamma-Linolenic Acid 5280581 C03242 78.383 305.2491021 Dihydrozeatin 32021 C02029 677.3605 220.1191792 D-Mannose 18950 C00159 589.929 179.056436 Docosatrienoic Acid 13712 C16534 76.701 333.2803757 Dodecanoic acid 3893 C02679 88.28 199.1709922 D-Proline 8988 C00763 593.589 114.056214 Eicosapentaenoic acid 71 C06428 78.947 301.2174493 Erucic acid 119226 C08316 77.161 337.3116559 Ginsenoside Re 316991 C08944 523.545 1005.566763 Ginsenoside Rg3 449639 C20778 395.0175 843.5133955 Guanosine 135398635 C00387 496.548 282.0851376 Hippuric acid 464 C01586 360.637 178.051292 His 440641 C01643 743.721 154.062682 Hypoxanthine 790 C00262 318.206 135.0313472 Kynurenine 448209 C01718 422.132 207.0777764 Lamivudine 439709 C07065 763.391 228.0496879 L-Aspartate 5960 C00049 803.24 132.030548 L-Leucine 6106 C00123 520.239 130.0878593 L-Methionine 6137 C00073 535.829 148.0441348 L-Phenylalanine 6140 C00079 482.518 164.0723903 L-Pyroglutamic acid 7405 C01879 575.339 128.0360251 L-Tyrosine 6057 C00082 570.669 180.0671788 Lumichrome 5326566 C01727 94.524 241.0736788 L-Valine 6287 C00183 572.009 116.0721253 myo-Inositol 6802 C00137 755.645 179.0568104 Myristoleic acid 464 C08322 85.021 225.1861617 N-Acetylaspartylglutamate (NAAG) 188803 C12270 859.403 303.0840204 N-Acetyl-L-aspartic acid 161166 C01042 760.479 174.0411875 N-ACETYL-L-LEUCINE 60825 C02710 369.687 172.0981356 N-carbamoyl-L-aspartate 6287 C00438 803.484 175.036588 Nervonic acid 5281120 C08323 76.039 365.342937 Oleic acid 5281119 C00712 80.016 281.2497105 O-Phosphoethanolamine 65065 C00346 918.685 140.0120547 Orotate 70912 C00295 443.788 155.0097922 Palmitic acid 93072 C00249 104.277 255.2338008 Pantothenate 988 C00864 527.724 218.1041938 PHENATURIC ACID 445639 347.442 192.0672066 Phosphatidylinositol 16 1015 365.134 857.520718 Phosphorylcholine 1014 C00588 943.206 242.0808444 Pseudouridine 985 C02067 461.883 243.0629562 Repaglinide 65981 C07670 402.6915 451.2624305 Retinoic acid 444795 C00777 78.814 299.2019041 Sorbitol-6-phosphate 15047 60.72 261.0436405 Sulfamethoxazole 65981 C07315 664.397 252.0469981 Taurine 1123 C00245 562.88 124.0077852 Thiazolidine-4-carboxylic acid 618 439.03 132.0124661 Thymidine 5329 C00214 191.0345 241.0839368 Thymine 1135 C00178 143.2735 125.0355069 Uracil 1174 C00106 444.113 111.0197807 Uridine 1135 C00299 305.6235 243.0632579 Uridine 5'-diphosphoglucuronic acid (UDP-D-glucuronate) 6029 C00167 927.321 579.0286748 Xanthosine 64959 C01762 416.598 283.0684688 METABOLITES_END #END