{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001611","ANALYSIS_ID":"AN002646","VERSION":"1","CREATED_ON":"November 30, 2020, 1:35 pm"},

"PROJECT":{"PROJECT_TITLE":"Mouse model of sarcoma (STS) to characterize tumor vulnerabilities and identify novel targets for anti-cancer treatment","PROJECT_SUMMARY":"Here, we use a genetically engineered mouse model of soft tissue sarcoma (STS) along with metabolomics together with tracing technology to characterize tumor vulnerabilities and identify novel targets for anti-cancer treatment. We identified multiple metabolic pathways which are altered in sarcoma and may also serve as potential targets. As a proof of concept, in this study, we used metabolomics together with in vivo tracing approach and identified proline metabolism as a potential target for anti-tumor treatment.","INSTITUTE":"North Carolina State University","LAST_NAME":"Liu","FIRST_NAME":"Xiaojing","ADDRESS":"Polk Hall, RM 128","EMAIL":"xliu68@ncsu.edu","PHONE":"9195154387"},

"STUDY":{"STUDY_TITLE":"Mouse model of sarcoma (STS) to characterize tumor vulnerabilities and identify novel targets for anti-cancer treatment","STUDY_SUMMARY":"For metabolomics study, tumor-bearing mice were starved for 6 hours before sarcoma and skeletal muscles were harvested.","INSTITUTE":"North Carolina State University","LAST_NAME":"Liu","FIRST_NAME":"Xiaojing","ADDRESS":"Polk Hall, RM 128","EMAIL":"xliu68@ncsu.edu","PHONE":"9195154387"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Sample1-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample1-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample2-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample2-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample3-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample3-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample4-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample4-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample5-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample5-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample6-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample6-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample7-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample7-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample8-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample8-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample9-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample9-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample10-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample10-NoISD.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"5 skeletal muscle and 5 sarcoma samples. Tissue polar metabolites were extracted into 80% methanol/water.","SAMPLE_TYPE":"Blood;Sarcoma;Skeletal muscle"},

"TREATMENT":{"TREATMENT_SUMMARY":"The mouse model of soft-tissue sarcoma was generated on a mixed background (129/SvJae and C57BL/6) using a combination of alleles that were previously described: Pax7CreER-T2 20, p53FL/FL 21, LSL-NrasG12D 22 and ROSA26mTmG Primary mouse soft tissue sarcomas were generated in the mouse hind limb as previously described 19 by intramuscular (IM) injection of (Z)-4-hydroxytamoxifen (4-OHT). 4-OHT was dissolved in 100% DMSO at a concentration of 10 mg/ml and 50 ul of the solution was injected into the gastrocnemius muscle."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The tumor sample was first homogenized in liquid nitrogen and then 5 to 10 mg was weighed in a new Eppendorf tube. Ice cold extraction solvent (250 ul 80% MeOH/water) was added to the tissue sample, and a pellet mixer was used to further break down the tissue chunk and form an even suspension, followed by the addition of 250 ul to rinse the pellet mixer. After incubation on ice for an additional 10 min, the tissue extract was centrifuged with a speed of 20,000 g at 4 °C for 10 min. The dry pellets were reconstituted into 30 ul (per 3 mg tissue) sample solvent (water:methanol: acetonitrile, 2:1:1, v/v), and 3 ul was injected to LC-HRMS. 5 ul mouse plasma was mixed with 5 ul water, and 40 ul ice cold methanol was added. After vortex for 1 min, the mixture was centrifuged with a speed of 20,000 g at 4 °C for 10 min, and 3 l was injected to LC-HRMS."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"HILIC method is for general metabolomics analysis.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Waters Xbridge amide (100 × 2.1 mm i.d., 3.5 µm)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"It was operated in the full-scan mode with the resolution set at 70 000 (at m/z 200).LC-MS data were analyzed using Sieve 2.0 (Thermo Scientific), and the integrated area under metabolite peak was used to compare the relative abundance of each metabolite in different samples in the same batch."},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"oxalate","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"Hypotaurine","Sample1-NoISD":"1457197.062","Sample2-NoISD":"1520468.352","Sample3-NoISD":"2662805.274","Sample4-NoISD":"2364263.43","Sample5-NoISD":"2827151.022","Sample6-NoISD":"2676821.79","Sample7-NoISD":"2963645.103","Sample8-NoISD":"973647.06","Sample9-NoISD":"2294367.366","Sample10-NoISD":"1646599.407"},{"Metabolite":"Taurine","Sample1-NoISD":"6513489584","Sample2-NoISD":"7394480494","Sample3-NoISD":"6611033769","Sample4-NoISD":"6127235996","Sample5-NoISD":"7616127559","Sample6-NoISD":"6094657383","Sample7-NoISD":"6123038540","Sample8-NoISD":"6022386371","Sample9-NoISD":"7049851302","Sample10-NoISD":"6052278700"},{"Metabolite":"C3H4O2(3)","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"Glycerol 3-phosphate","Sample1-NoISD":"254172738.1","Sample2-NoISD":"276503951.7","Sample3-NoISD":"339848212.6","Sample4-NoISD":"153313247.5","Sample5-NoISD":"146383523.5","Sample6-NoISD":"130688370.7","Sample7-NoISD":"231648827.6","Sample8-NoISD":"220258283.1","Sample9-NoISD":"159607385.1","Sample10-NoISD":"384625233.5"},{"Metabolite":"O-Phospho-L-serine","Sample1-NoISD":"46309.047","Sample2-NoISD":"262218.945","Sample3-NoISD":"155787.567","Sample4-NoISD":"262037.373","Sample5-NoISD":"176369.91","Sample6-NoISD":"377266.989","Sample7-NoISD":"317486.436","Sample8-NoISD":"88629.255","Sample9-NoISD":"267053.622","Sample10-NoISD":"329947.821"},{"Metabolite":"L-erythrulose","Sample1-NoISD":"3138749.244","Sample2-NoISD":"3566146.884","Sample3-NoISD":"2890607.325","Sample4-NoISD":"2978906.247","Sample5-NoISD":"1900124.406","Sample6-NoISD":"3421401.516","Sample7-NoISD":"2878957.035","Sample8-NoISD":"2178807.633","Sample9-NoISD":"4272055.512","Sample10-NoISD":"2463522.795"},{"Metabolite":"L-threonate","Sample1-NoISD":"14305327.9","Sample2-NoISD":"19136654.33","Sample3-NoISD":"13135667.77","Sample4-NoISD":"15623516.92","Sample5-NoISD":"16943172.29","Sample6-NoISD":"24934794.95","Sample7-NoISD":"16440387.07","Sample8-NoISD":"12459647.99","Sample9-NoISD":"46125941.82","Sample10-NoISD":"18214305.03"},{"Metabolite":"allantoate","Sample1-NoISD":"52834.446","Sample2-NoISD":"35423.724","Sample3-NoISD":"9383.289","Sample4-NoISD":"26379.339","Sample5-NoISD":"20203.692","Sample6-NoISD":"36608.649","Sample7-NoISD":"13488","Sample8-NoISD":"16899.6","Sample9-NoISD":"26963.16","Sample10-NoISD":"29766.72"},{"Metabolite":"D-Erythrose 4-phosphate","Sample1-NoISD":"60113252.45","Sample2-NoISD":"7132364.451","Sample3-NoISD":"54747188.36","Sample4-NoISD":"39526455.44","Sample5-NoISD":"48089758.6","Sample6-NoISD":"30145308.59","Sample7-NoISD":"24438123.91","Sample8-NoISD":"34850120.94","Sample9-NoISD":"23294812.22","Sample10-NoISD":"44793478.32"},{"Metabolite":"N-phosphocreatinate","Sample1-NoISD":"871084.8","Sample2-NoISD":"3782142.828","Sample3-NoISD":"4034810.637","Sample4-NoISD":"420623.406","Sample5-NoISD":"442945.518","Sample6-NoISD":"124472.724","Sample7-NoISD":"267623.322","Sample8-NoISD":"422572.464","Sample9-NoISD":"116132.826","Sample10-NoISD":"4014708.816"},{"Metabolite":"3-methyl-2-oxobutanoate","Sample1-NoISD":"1387715.403","Sample2-NoISD":"928868.016","Sample3-NoISD":"1198993.341","Sample4-NoISD":"1108815.93","Sample5-NoISD":"1171129.179","Sample6-NoISD":"831961.494","Sample7-NoISD":"1183219.905","Sample8-NoISD":"1110657.594","Sample9-NoISD":"1286793.297","Sample10-NoISD":"4435223.451"},{"Metabolite":"beta-hydroxy-beta-methylbutyrate","Sample1-NoISD":"7044700.962","Sample2-NoISD":"7694371.173","Sample3-NoISD":"5740620.543","Sample4-NoISD":"3292306.998","Sample5-NoISD":"3645733.173","Sample6-NoISD":"11815369.4","Sample7-NoISD":"7064427.018","Sample8-NoISD":"4335378.591","Sample9-NoISD":"3787813.02","Sample10-NoISD":"4187957.31"},{"Metabolite":"Xanthine","Sample1-NoISD":"75853797.7","Sample2-NoISD":"69474491.67","Sample3-NoISD":"32063320.27","Sample4-NoISD":"62046492.8","Sample5-NoISD":"43928448.52","Sample6-NoISD":"188335324.7","Sample7-NoISD":"138957454.2","Sample8-NoISD":"80609263.22","Sample9-NoISD":"132050071.5","Sample10-NoISD":"98649462.19"},{"Metabolite":"(S)-dihydroorotate","Sample1-NoISD":"25366.317","Sample2-NoISD":"6732.609","Sample3-NoISD":"5783.232","Sample4-NoISD":"20792.403","Sample5-NoISD":"21965.037","Sample6-NoISD":"90950.565","Sample7-NoISD":"36224.004","Sample8-NoISD":"11985.021","Sample9-NoISD":"21531.057","Sample10-NoISD":"27377.616"},{"Metabolite":"7,9-dihydro-1H-purine-2688(3H)-trione","Sample1-NoISD":"18300170.34","Sample2-NoISD":"20254521.09","Sample3-NoISD":"9135920.703","Sample4-NoISD":"14656818.75","Sample5-NoISD":"10746980.61","Sample6-NoISD":"27532742.93","Sample7-NoISD":"24371240.07","Sample8-NoISD":"8997001.05","Sample9-NoISD":"22750254.16","Sample10-NoISD":"12756841.52"},{"Metabolite":"N-Carbamoyl-L-aspartate","Sample1-NoISD":"32564.295","Sample2-NoISD":"62252.277","Sample3-NoISD":"1000","Sample4-NoISD":"1000","Sample5-NoISD":"12146.004","Sample6-NoISD":"184641.783","Sample7-NoISD":"74856.573","Sample8-NoISD":"19103.607","Sample9-NoISD":"34208.946","Sample10-NoISD":"72515.67"},{"Metabolite":"5-Phospho-beta-D-ribosylamine","Sample1-NoISD":"18880.566","Sample2-NoISD":"1000","Sample3-NoISD":"79281.756","Sample4-NoISD":"1000","Sample5-NoISD":"1000","Sample6-NoISD":"1000","Sample7-NoISD":"24188.634","Sample8-NoISD":"1000","Sample9-NoISD":"1000","Sample10-NoISD":"1000"},{"Metabolite":"2-methylglutaconic acid","Sample1-NoISD":"6820797.204","Sample2-NoISD":"7561071.234","Sample3-NoISD":"6065147.091","Sample4-NoISD":"6059419.113","Sample5-NoISD":"4351615.413","Sample6-NoISD":"6588558.927","Sample7-NoISD":"5407397.784","Sample8-NoISD":"4544686.794","Sample9-NoISD":"8315260.584","Sample10-NoISD":"5191296.912"},{"Metabolite":"lysine","Sample1-NoISD":"319920655.1","Sample2-NoISD":"162622848.6","Sample3-NoISD":"108646203.7","Sample4-NoISD":"122464296.5","Sample5-NoISD":"212715732.8","Sample6-NoISD":"108173937.8","Sample7-NoISD":"86195277.94","Sample8-NoISD":"166296522.2","Sample9-NoISD":"392618927.5","Sample10-NoISD":"261582395.9"},{"Metabolite":"2-aminomuconate","Sample1-NoISD":"406684.644","Sample2-NoISD":"391214.433","Sample3-NoISD":"114166.539","Sample4-NoISD":"606615.441","Sample5-NoISD":"265324.74","Sample6-NoISD":"269839.908","Sample7-NoISD":"268995.447","Sample8-NoISD":"99878.151","Sample9-NoISD":"161920.053","Sample10-NoISD":"88704.852"},{"Metabolite":"arginine","Sample1-NoISD":"99225709.09","Sample2-NoISD":"47705634.44","Sample3-NoISD":"40215959.58","Sample4-NoISD":"44993442.59","Sample5-NoISD":"70438012.24","Sample6-NoISD":"38414677.03","Sample7-NoISD":"22055076.14","Sample8-NoISD":"42573568.2","Sample9-NoISD":"110501762.5","Sample10-NoISD":"70190520.21"},{"Metabolite":"L-Fucose 1-phosphate","Sample1-NoISD":"2105193.861","Sample2-NoISD":"6483443.895","Sample3-NoISD":"5510783.235","Sample4-NoISD":"4003439.427","Sample5-NoISD":"5639541.282","Sample6-NoISD":"4582241.88","Sample7-NoISD":"5349804.093","Sample8-NoISD":"2551195.161","Sample9-NoISD":"3058730.004","Sample10-NoISD":"3123273.501"},{"Metabolite":"D-Glucosamine 6-phosphate","Sample1-NoISD":"2485911.699","Sample2-NoISD":"2538483.105","Sample3-NoISD":"2449681.707","Sample4-NoISD":"2018035.344","Sample5-NoISD":"1960058.748","Sample6-NoISD":"5387812.062","Sample7-NoISD":"4522650.366","Sample8-NoISD":"1767205.995","Sample9-NoISD":"2047062.444","Sample10-NoISD":"3491456.241"},{"Metabolite":"6-Phosphogluconic acid","Sample1-NoISD":"3329469.129","Sample2-NoISD":"1592348.307","Sample3-NoISD":"2752108.782","Sample4-NoISD":"2580616.506","Sample5-NoISD":"2998069.512","Sample6-NoISD":"1986970.698","Sample7-NoISD":"1564830.132","Sample8-NoISD":"1836835.146","Sample9-NoISD":"1850412.39","Sample10-NoISD":"2532525.075"},{"Metabolite":"3-hydroxyanthranilate","Sample1-NoISD":"326225.577","Sample2-NoISD":"461227.956","Sample3-NoISD":"311708.61","Sample4-NoISD":"399962.547","Sample5-NoISD":"403593.9","Sample6-NoISD":"773326.221","Sample7-NoISD":"905019.954","Sample8-NoISD":"487738.437","Sample9-NoISD":"648152.421","Sample10-NoISD":"499459.053"},{"Metabolite":"N-acetyl-L-glutamate","Sample1-NoISD":"1583035.791","Sample2-NoISD":"1622668.218","Sample3-NoISD":"607395.669","Sample4-NoISD":"2724259.389","Sample5-NoISD":"847149.249","Sample6-NoISD":"2085094.2","Sample7-NoISD":"1130121.936","Sample8-NoISD":"569110.176","Sample9-NoISD":"1493583.393","Sample10-NoISD":"633598.311"},{"Metabolite":"N1-(5-Phospho-D-ribosyl)glycinamide","Sample1-NoISD":"41477.193","Sample2-NoISD":"489858.828","Sample3-NoISD":"43136.316","Sample4-NoISD":"26330.496","Sample5-NoISD":"81602.31","Sample6-NoISD":"166919.424","Sample7-NoISD":"89330.292","Sample8-NoISD":"7228.755","Sample9-NoISD":"6639.102","Sample10-NoISD":"19348.44"},{"Metabolite":"Sedoheptulose 7-phosphate","Sample1-NoISD":"2243556.645","Sample2-NoISD":"4579079.766","Sample3-NoISD":"1097824.749","Sample4-NoISD":"1885145.712","Sample5-NoISD":"796926.072","Sample6-NoISD":"7745092.743","Sample7-NoISD":"4788100.611","Sample8-NoISD":"1556593.794","Sample9-NoISD":"2475692.196","Sample10-NoISD":"4102083.378"},{"Metabolite":"sedoheptulose 1,7-bisphosphate","Sample1-NoISD":"411659.571","Sample2-NoISD":"278918.325","Sample3-NoISD":"368287.41","Sample4-NoISD":"380172.357","Sample5-NoISD":"479312.814","Sample6-NoISD":"108191.205","Sample7-NoISD":"140481.63","Sample8-NoISD":"446648.691","Sample9-NoISD":"277198.863","Sample10-NoISD":"359905.227"},{"Metabolite":"4-pyridoxate","Sample1-NoISD":"239819.706","Sample2-NoISD":"20789.964","Sample3-NoISD":"59590.152","Sample4-NoISD":"209815.707","Sample5-NoISD":"167382.621","Sample6-NoISD":"332115.492","Sample7-NoISD":"60687.666","Sample8-NoISD":"16565.175","Sample9-NoISD":"59012.364","Sample10-NoISD":"50057.907"},{"Metabolite":"fructoseglycine","Sample1-NoISD":"306615.135","Sample2-NoISD":"372224.985","Sample3-NoISD":"178299.273","Sample4-NoISD":"181120.113","Sample5-NoISD":"165771.714","Sample6-NoISD":"669313.557","Sample7-NoISD":"500937.762","Sample8-NoISD":"254089.167","Sample9-NoISD":"314375.049","Sample10-NoISD":"424585.488"},{"Metabolite":"N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide","Sample1-NoISD":"1008755.886","Sample2-NoISD":"7827055.149","Sample3-NoISD":"3383744.142","Sample4-NoISD":"2615469.867","Sample5-NoISD":"3286497.828","Sample6-NoISD":"2181283.428","Sample7-NoISD":"7237923.204","Sample8-NoISD":"815966.031","Sample9-NoISD":"1223218.044","Sample10-NoISD":"687030.423"},{"Metabolite":"nonanoate","Sample1-NoISD":"18245369.8","Sample2-NoISD":"19696545.62","Sample3-NoISD":"14541035","Sample4-NoISD":"16356130.05","Sample5-NoISD":"16424715.12","Sample6-NoISD":"11764868.37","Sample7-NoISD":"16408308.21","Sample8-NoISD":"14246070.48","Sample9-NoISD":"12509597.76","Sample10-NoISD":"15798914.1"},{"Metabolite":"4-hydroperoxy-2-nonenal","Sample1-NoISD":"1873114.287","Sample2-NoISD":"1550461.644","Sample3-NoISD":"1151380.596","Sample4-NoISD":"1280178.114","Sample5-NoISD":"2054478.975","Sample6-NoISD":"1640028.786","Sample7-NoISD":"2363507.061","Sample8-NoISD":"1465337.712","Sample9-NoISD":"1530631.629","Sample10-NoISD":"1475613.27"},{"Metabolite":"Azelaic acid","Sample1-NoISD":"4277253.057","Sample2-NoISD":"2056126.287","Sample3-NoISD":"1623321.81","Sample4-NoISD":"1760617.743","Sample5-NoISD":"1497741.663","Sample6-NoISD":"3232457.079","Sample7-NoISD":"3370716.486","Sample8-NoISD":"1452531.588","Sample9-NoISD":"3049069.647","Sample10-NoISD":"1189280.367"},{"Metabolite":"(R)-Pantothenate","Sample1-NoISD":"176524.806","Sample2-NoISD":"314366.931","Sample3-NoISD":"232691.427","Sample4-NoISD":"293280.993","Sample5-NoISD":"343268.385","Sample6-NoISD":"77950.74","Sample7-NoISD":"78983.079","Sample8-NoISD":"275600.565","Sample9-NoISD":"381727.161","Sample10-NoISD":"274648.488"},{"Metabolite":"carnosine","Sample1-NoISD":"496844707.1","Sample2-NoISD":"1000335322","Sample3-NoISD":"960080353.5","Sample4-NoISD":"388228555.3","Sample5-NoISD":"627028576.9","Sample6-NoISD":"834473031.6","Sample7-NoISD":"1114386638","Sample8-NoISD":"584075754.1","Sample9-NoISD":"536061533.5","Sample10-NoISD":"384118381.8"},{"Metabolite":"gama-L-glutamyl-L-alpha-aminobutyrate","Sample1-NoISD":"1955566.359","Sample2-NoISD":"1857341.106","Sample3-NoISD":"1157596.794","Sample4-NoISD":"581874.867","Sample5-NoISD":"817263.378","Sample6-NoISD":"2002767.219","Sample7-NoISD":"1650434.943","Sample8-NoISD":"1350506.028","Sample9-NoISD":"890357.586","Sample10-NoISD":"1671023.514"},{"Metabolite":"Galactosylglycerol","Sample1-NoISD":"790057.731","Sample2-NoISD":"596854.875","Sample3-NoISD":"543036.702","Sample4-NoISD":"731343.9","Sample5-NoISD":"685143.828","Sample6-NoISD":"727505.835","Sample7-NoISD":"611084.226","Sample8-NoISD":"738148.347","Sample9-NoISD":"1118169.252","Sample10-NoISD":"605472.834"},{"Metabolite":"S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine","Sample1-NoISD":"364810.824","Sample2-NoISD":"172145.892","Sample3-NoISD":"180821.508","Sample4-NoISD":"310289.427","Sample5-NoISD":"198976.614","Sample6-NoISD":"699729.582","Sample7-NoISD":"492438.798","Sample8-NoISD":"227329.392","Sample9-NoISD":"500761.644","Sample10-NoISD":"307470.021"},{"Metabolite":"N-acetyl-seryl-aspartate","Sample1-NoISD":"1675562.295","Sample2-NoISD":"1731921.435","Sample3-NoISD":"1177664.784","Sample4-NoISD":"848032.206","Sample5-NoISD":"806774.124","Sample6-NoISD":"1527942.114","Sample7-NoISD":"1346770.995","Sample8-NoISD":"1441522.704","Sample9-NoISD":"1276862.004","Sample10-NoISD":"1724464.491"},{"Metabolite":"3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid","Sample1-NoISD":"6838632.273","Sample2-NoISD":"3055070.67","Sample3-NoISD":"2553799.104","Sample4-NoISD":"3629794.221","Sample5-NoISD":"3430929.903","Sample6-NoISD":"2518109.37","Sample7-NoISD":"3881072.7","Sample8-NoISD":"4284625.473","Sample9-NoISD":"6348532.062","Sample10-NoISD":"6422219.811"},{"Metabolite":"2-keto-3-deoxy-D-glycero-D-galactononic acid 9-phosphate","Sample1-NoISD":"1228286368","Sample2-NoISD":"917155643.2","Sample3-NoISD":"1187919242","Sample4-NoISD":"1568691776","Sample5-NoISD":"1229661123","Sample6-NoISD":"1719787365","Sample7-NoISD":"1201614014","Sample8-NoISD":"1605920981","Sample9-NoISD":"2376931143","Sample10-NoISD":"1120538802"},{"Metabolite":"Perillic 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(n-C14:1)","Sample1-NoISD":"4992199.329","Sample2-NoISD":"3904267.554","Sample3-NoISD":"2795335.386","Sample4-NoISD":"8020968","Sample5-NoISD":"4808240.817","Sample6-NoISD":"8070970.818","Sample7-NoISD":"4174956.405","Sample8-NoISD":"7007001.066","Sample9-NoISD":"7648100.85","Sample10-NoISD":"5068726.077"},{"Metabolite":"myristate","Sample1-NoISD":"67063770.81","Sample2-NoISD":"61287956.21","Sample3-NoISD":"50053993.55","Sample4-NoISD":"107315433.7","Sample5-NoISD":"62306431.71","Sample6-NoISD":"68354999.69","Sample7-NoISD":"77779428.23","Sample8-NoISD":"72283170.29","Sample9-NoISD":"78575083.34","Sample10-NoISD":"60318988.08"},{"Metabolite":"6(S)-hydroxy-tetradeca-2E4E8Z-trienoate/6(R)-hydroxy-tetradeca-2E4E8Z-trienoate","Sample1-NoISD":"1820318.322","Sample2-NoISD":"1062516.738","Sample3-NoISD":"720234.447","Sample4-NoISD":"2046468.507","Sample5-NoISD":"2041406.655","Sample6-NoISD":"1691961.819","Sample7-NoISD":"820812.876","Sample8-NoISD":"532437.285","Sample9-NoISD":"3271402.56","Sample10-NoISD":"1141114.11"},{"Metabolite":"omega hydroxy tetradecanoate 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acid","Sample1-NoISD":"482563.095","Sample2-NoISD":"381013.539","Sample3-NoISD":"262312.149","Sample4-NoISD":"504822.327","Sample5-NoISD":"430178.277","Sample6-NoISD":"316671.588","Sample7-NoISD":"221060.55","Sample8-NoISD":"176953.476","Sample9-NoISD":"435633.891","Sample10-NoISD":"241559.817"},{"Metabolite":"margarate","Sample1-NoISD":"12306730.84","Sample2-NoISD":"7060295.667","Sample3-NoISD":"5788307.034","Sample4-NoISD":"16424465.65","Sample5-NoISD":"8655854.292","Sample6-NoISD":"8453040.576","Sample7-NoISD":"9469578.609","Sample8-NoISD":"9699216.777","Sample9-NoISD":"11574867.42","Sample10-NoISD":"7043627.73"},{"Metabolite":"stearate","Sample1-NoISD":"257853088.8","Sample2-NoISD":"261458684","Sample3-NoISD":"247244079.1","Sample4-NoISD":"195047826.8","Sample5-NoISD":"226346596.3","Sample6-NoISD":"215053078.8","Sample7-NoISD":"296488099.8","Sample8-NoISD":"271298396.6","Sample9-NoISD":"235450708.8","Sample10-NoISD":"242712638.9"},{"Metabolite":"12,13-epoxy-9-hydroperoxy-10E-octadecenoate","Sample1-NoISD":"100027.266","Sample2-NoISD":"49835.865","Sample3-NoISD":"61684.932","Sample4-NoISD":"33165.171","Sample5-NoISD":"61347.729","Sample6-NoISD":"91978.368","Sample7-NoISD":"169441.53","Sample8-NoISD":"229818.249","Sample9-NoISD":"203864.67","Sample10-NoISD":"87551.397"},{"Metabolite":"estrone 3-sulfate","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"8,11,14-Eicosatrienoic acid (DGLA)","Sample1-NoISD":"8625035.922","Sample2-NoISD":"12397118.12","Sample3-NoISD":"4457778.069","Sample4-NoISD":"14063192.04","Sample5-NoISD":"7950644.721","Sample6-NoISD":"14034021.24","Sample7-NoISD":"10659132.25","Sample8-NoISD":"9626900.301","Sample9-NoISD":"12142058.5","Sample10-NoISD":"9849344.28"},{"Metabolite":"Eicosenoic acid","Sample1-NoISD":"8499561.759","Sample2-NoISD":"2454428.532","Sample3-NoISD":"2350220.286","Sample4-NoISD":"13778187","Sample5-NoISD":"3633899.022","Sample6-NoISD":"8691132.132","Sample7-NoISD":"7227828.633","Sample8-NoISD":"4244293.035","Sample9-NoISD":"7182117.663","Sample10-NoISD":"3569388.408"},{"Metabolite":"fructoselysine 3-phosphate","Sample1-NoISD":"1277476.26","Sample2-NoISD":"1909923.948","Sample3-NoISD":"1770689.034","Sample4-NoISD":"1950559.725","Sample5-NoISD":"3921949.203","Sample6-NoISD":"1435524.015","Sample7-NoISD":"1745118.084","Sample8-NoISD":"1254821.733","Sample9-NoISD":"4063657.794","Sample10-NoISD":"4369576.212"},{"Metabolite":"UDP-alpha-D-xylose","Sample1-NoISD":"1000","Sample2-NoISD":"1000","Sample3-NoISD":"1000","Sample4-NoISD":"1000","Sample5-NoISD":"1000","Sample6-NoISD":"1000","Sample7-NoISD":"1000","Sample8-NoISD":"1000","Sample9-NoISD":"1000","Sample10-NoISD":"1000"},{"Metabolite":"ADP-ribose","Sample1-NoISD":"26360122.35","Sample2-NoISD":"31678753.25","Sample3-NoISD":"24481961.67","Sample4-NoISD":"41366057.24","Sample5-NoISD":"51045747.73","Sample6-NoISD":"68430875.69","Sample7-NoISD":"36296586.94","Sample8-NoISD":"48802453.14","Sample9-NoISD":"61601897.02","Sample10-NoISD":"43708206.03"},{"Metabolite":"UDP-D-glucuronate","Sample1-NoISD":"76528.416","Sample2-NoISD":"657683.796","Sample3-NoISD":"53383.35","Sample4-NoISD":"17657.574","Sample5-NoISD":"100409.148","Sample6-NoISD":"324856.542","Sample7-NoISD":"462308.988","Sample8-NoISD":"1000","Sample9-NoISD":"394018.926","Sample10-NoISD":"263406.348"},{"Metabolite":"2-hydroxyamino-MeIQx-N2-(beta-1-glucosiduronyl)-2-hydroxyamino-3-8-dimethylimidazo[4-5-f]quinoxaline","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"NADH","Sample1-NoISD":"1640107.83","Sample2-NoISD":"2526321.567","Sample3-NoISD":"2024216.121","Sample4-NoISD":"1232479.347","Sample5-NoISD":"1694835.168","Sample6-NoISD":"776193.546","Sample7-NoISD":"705109.641","Sample8-NoISD":"948642.783","Sample9-NoISD":"1461869.556","Sample10-NoISD":"799093.179"},{"Metabolite":"NADPH","Sample1-NoISD":"1000","Sample2-NoISD":"1000","Sample3-NoISD":"1000","Sample4-NoISD":"1000","Sample5-NoISD":"1000","Sample6-NoISD":"1000","Sample7-NoISD":"1000","Sample8-NoISD":"1000","Sample9-NoISD":"1000","Sample10-NoISD":"1000"},{"Metabolite":"cholesterol sulfate","Sample1-NoISD":"3052478.067","Sample2-NoISD":"711201.234","Sample3-NoISD":"525444","Sample4-NoISD":"836637.225","Sample5-NoISD":"315923.874","Sample6-NoISD":"540352.161","Sample7-NoISD":"701281.836","Sample8-NoISD":"108303.897","Sample9-NoISD":"1050857.343","Sample10-NoISD":"482125.833"},{"Metabolite":"13-carboxy-alpha-tocopherol","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"3-oxopropanoate","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate","Sample1-NoISD":"1900424.532","Sample2-NoISD":"2758442.91","Sample3-NoISD":"1551859.179","Sample4-NoISD":"2996490.036","Sample5-NoISD":"2319413.664","Sample6-NoISD":"3268696.347","Sample7-NoISD":"2646231.78","Sample8-NoISD":"1691361.897","Sample9-NoISD":"3773710.029","Sample10-NoISD":"2370143.985"},{"Metabolite":"itaconate/Mesaconate","Sample1-NoISD":"3607986.411","Sample2-NoISD":"6350754.045","Sample3-NoISD":"2899802.289","Sample4-NoISD":"3727009.257","Sample5-NoISD":"3594851.184","Sample6-NoISD":"5384344.971","Sample7-NoISD":"4238668.653","Sample8-NoISD":"2696448.069","Sample9-NoISD":"5299260.618","Sample10-NoISD":"4861837.026"},{"Metabolite":"L-4-hydroxyglutamate 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5-phosphate/2-Deoxy-D-ribose 1-phosphate","Sample1-NoISD":"901725.252","Sample2-NoISD":"1285323.762","Sample3-NoISD":"1027463.667","Sample4-NoISD":"929684.826","Sample5-NoISD":"907104.471","Sample6-NoISD":"1538895.558","Sample7-NoISD":"567733.215","Sample8-NoISD":"829050.675","Sample9-NoISD":"1696308.831","Sample10-NoISD":"1012092.603"},{"Metabolite":"ribose-phosphate","Sample1-NoISD":"37949705.85","Sample2-NoISD":"27480325.94","Sample3-NoISD":"31571460.02","Sample4-NoISD":"30996099.21","Sample5-NoISD":"33293123.32","Sample6-NoISD":"66927258.92","Sample7-NoISD":"41506892.25","Sample8-NoISD":"34078616.6","Sample9-NoISD":"47932131.12","Sample10-NoISD":"42831348.27"},{"Metabolite":"3-methyl-2-oxopentanoate/4-methyl-2-oxopentanoate(ketoleucine)","Sample1-NoISD":"29391544.7","Sample2-NoISD":"30565058.54","Sample3-NoISD":"24757948.97","Sample4-NoISD":"24325863.55","Sample5-NoISD":"23172713.45","Sample6-NoISD":"26055910.76","Sample7-NoISD":"28151767.85","Sample8-NoISD":"52629194.31","Sample9-NoISD":"96291828.67","Sample10-NoISD":"57011734.8"},{"Metabolite":"L-fucose/L-Fuculose","Sample1-NoISD":"579422.526","Sample2-NoISD":"671056.668","Sample3-NoISD":"612557.859","Sample4-NoISD":"506460.891","Sample5-NoISD":"556539.978","Sample6-NoISD":"866064.774","Sample7-NoISD":"568680.609","Sample8-NoISD":"601240.797","Sample9-NoISD":"679824.255","Sample10-NoISD":"567420.456"},{"Metabolite":"N-Formimidoyl-L-glutamate","Sample1-NoISD":"298005.783","Sample2-NoISD":"234199.947","Sample3-NoISD":"176323.677","Sample4-NoISD":"123701.988","Sample5-NoISD":"144288.129","Sample6-NoISD":"389617.857","Sample7-NoISD":"269835.996","Sample8-NoISD":"167509.017","Sample9-NoISD":"264273.075","Sample10-NoISD":"186129.138"},{"Metabolite":"N-acetyl-L-aspartate/2-Amino-3-oxoadipate","Sample1-NoISD":"46000632.34","Sample2-NoISD":"44542357.76","Sample3-NoISD":"11818242.04","Sample4-NoISD":"61957878.83","Sample5-NoISD":"33828985.86","Sample6-NoISD":"21153429.7","Sample7-NoISD":"30685558.68","Sample8-NoISD":"13134878.41","Sample9-NoISD":"16571215.79","Sample10-NoISD":"13429609.83"},{"Metabolite":"3-Keto-beta-D-galactose/L-Gulonolactone","Sample1-NoISD":"414361.695","Sample2-NoISD":"404106.231","Sample3-NoISD":"260328.456","Sample4-NoISD":"243161.694","Sample5-NoISD":"144151.599","Sample6-NoISD":"730680.135","Sample7-NoISD":"443347.023","Sample8-NoISD":"185760.081","Sample9-NoISD":"328450.698","Sample10-NoISD":"292885.176"},{"Metabolite":"C6H12O6(5)","Sample1-NoISD":"131200270","Sample2-NoISD":"138426624.6","Sample3-NoISD":"73057230.95","Sample4-NoISD":"391059051.3","Sample5-NoISD":"174108275.2","Sample6-NoISD":"424357947.8","Sample7-NoISD":"338559780.8","Sample8-NoISD":"186057992.2","Sample9-NoISD":"174045456.3","Sample10-NoISD":"373670838.3"},{"Metabolite":"L-Iditol/D-glucitol/galactitol","Sample1-NoISD":"15095866.91","Sample2-NoISD":"19035442.31","Sample3-NoISD":"16195884","Sample4-NoISD":"11697917.34","Sample5-NoISD":"13311896.61","Sample6-NoISD":"28329170.33","Sample7-NoISD":"16524981.64","Sample8-NoISD":"15174128.45","Sample9-NoISD":"18103413.74","Sample10-NoISD":"16939066.04"},{"Metabolite":"3-dehydro-L-gulonate/D-glucuronate/L-iduronate","Sample1-NoISD":"1141662.744","Sample2-NoISD":"795979.377","Sample3-NoISD":"687063.774","Sample4-NoISD":"575523.159","Sample5-NoISD":"452835.642","Sample6-NoISD":"2140902.534","Sample7-NoISD":"1482704.544","Sample8-NoISD":"312886.767","Sample9-NoISD":"535172.214","Sample10-NoISD":"635845.038"},{"Metabolite":"gulonate","Sample1-NoISD":"23964995.44","Sample2-NoISD":"45515071.73","Sample3-NoISD":"20207630.87","Sample4-NoISD":"13707116.52","Sample5-NoISD":"14086173.59","Sample6-NoISD":"82501618.44","Sample7-NoISD":"61545950.18","Sample8-NoISD":"12850220.3","Sample9-NoISD":"30095435.16","Sample10-NoISD":"27291247.07"},{"Metabolite":"Methylisocitric acid/2-methylcitrate","Sample1-NoISD":"412800.207","Sample2-NoISD":"384370.641","Sample3-NoISD":"234136.224","Sample4-NoISD":"327297.132","Sample5-NoISD":"185135.718","Sample6-NoISD":"734852.322","Sample7-NoISD":"418564.149","Sample8-NoISD":"89881.191","Sample9-NoISD":"182850.138","Sample10-NoISD":"472195.347"},{"Metabolite":"4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3,4-Dihydroxyphenylacetaldehyde","Sample1-NoISD":"3689823.321","Sample2-NoISD":"1873034.277","Sample3-NoISD":"1894447.149","Sample4-NoISD":"2358919.608","Sample5-NoISD":"2400327.99","Sample6-NoISD":"2503617.735","Sample7-NoISD":"2148505.494","Sample8-NoISD":"1473888.066","Sample9-NoISD":"2083185.414","Sample10-NoISD":"1992790.605"},{"Metabolite":"4-hydroxy-2-nonenal/3,4-epoxynonanal","Sample1-NoISD":"495639.597","Sample2-NoISD":"1040782.173","Sample3-NoISD":"679720.383","Sample4-NoISD":"280335.528","Sample5-NoISD":"577369.845","Sample6-NoISD":"853458.6","Sample7-NoISD":"590803.137","Sample8-NoISD":"261494.238","Sample9-NoISD":"607478.949","Sample10-NoISD":"749325.069"},{"Metabolite":"4(R)-hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z-enoate","Sample1-NoISD":"1122910.032","Sample2-NoISD":"841034.763","Sample3-NoISD":"504502.935","Sample4-NoISD":"555545.034","Sample5-NoISD":"1042827.681","Sample6-NoISD":"1716312.822","Sample7-NoISD":"362081.586","Sample8-NoISD":"1427129.028","Sample9-NoISD":"1134735.576","Sample10-NoISD":"1395504.48"},{"Metabolite":"C14H24O3(4)","Sample1-NoISD":"2075676.462","Sample2-NoISD":"1207496.136","Sample3-NoISD":"365180.643","Sample4-NoISD":"968983.506","Sample5-NoISD":"1483866.843","Sample6-NoISD":"2564687.76","Sample7-NoISD":"652578.72","Sample8-NoISD":"2117083.269","Sample9-NoISD":"2221753.662","Sample10-NoISD":"2106029.007"},{"Metabolite":"linoleic acid/linoelaidic acid (all trans C18:2)/octadecadienoate (n-C18:2)","Sample1-NoISD":"620373014","Sample2-NoISD":"331252141.2","Sample3-NoISD":"227471507.8","Sample4-NoISD":"1426850227","Sample5-NoISD":"304751577.3","Sample6-NoISD":"465057263.6","Sample7-NoISD":"473832967.1","Sample8-NoISD":"481281301.3","Sample9-NoISD":"521330423.1","Sample10-NoISD":"398785999.9"},{"Metabolite":"oleic acid/elaidate/trans-vaccenate","Sample1-NoISD":"837068164.6","Sample2-NoISD":"321947515.6","Sample3-NoISD":"230909188.3","Sample4-NoISD":"1929138207","Sample5-NoISD":"374420703.8","Sample6-NoISD":"505581232.3","Sample7-NoISD":"535871240.2","Sample8-NoISD":"687055926.5","Sample9-NoISD":"617842144.9","Sample10-NoISD":"430058597.5"},{"Metabolite":"9(10)-EpOME/12(13)-EpOME","Sample1-NoISD":"23713122.21","Sample2-NoISD":"24828477.31","Sample3-NoISD":"16998429.6","Sample4-NoISD":"25378987.49","Sample5-NoISD":"30018375.78","Sample6-NoISD":"17183339.44","Sample7-NoISD":"34919309.58","Sample8-NoISD":"23032356.35","Sample9-NoISD":"34946947.61","Sample10-NoISD":"27540975.65"},{"Metabolite":"9,10-hydroxyoctadec-12(Z)-enoate/12,13-hydroxyoctadec-9(Z)-enoate","Sample1-NoISD":"670753.602","Sample2-NoISD":"503488.146","Sample3-NoISD":"381668.592","Sample4-NoISD":"418450.827","Sample5-NoISD":"1018616.292","Sample6-NoISD":"665458.863","Sample7-NoISD":"617212.317","Sample8-NoISD":"510585.492","Sample9-NoISD":"871205.076","Sample10-NoISD":"468893.286"},{"Metabolite":"pristanic acid","Sample1-NoISD":"1387393.803","Sample2-NoISD":"294743.505","Sample3-NoISD":"410759.664","Sample4-NoISD":"1190790.879","Sample5-NoISD":"517673.196","Sample6-NoISD":"818493.294","Sample7-NoISD":"691059.435","Sample8-NoISD":"381165.432","Sample9-NoISD":"1017852.423","Sample10-NoISD":"344269.128"},{"Metabolite":"C20H30O2(4)","Sample1-NoISD":"8706303.924","Sample2-NoISD":"18652792.34","Sample3-NoISD":"3490281.396","Sample4-NoISD":"7236994.845","Sample5-NoISD":"5643559.083","Sample6-NoISD":"18182988.87","Sample7-NoISD":"9381334.509","Sample8-NoISD":"6390685.266","Sample9-NoISD":"9803369.097","Sample10-NoISD":"6595033.725"},{"Metabolite":"arachidonic acid","Sample1-NoISD":"80678211.43","Sample2-NoISD":"130739402.9","Sample3-NoISD":"52652344.39","Sample4-NoISD":"81726191.15","Sample5-NoISD":"65277615.35","Sample6-NoISD":"171844704.8","Sample7-NoISD":"125870497.6","Sample8-NoISD":"61344159.05","Sample9-NoISD":"99997467.72","Sample10-NoISD":"109361048.1"},{"Metabolite":"C20H30O3(6)","Sample1-NoISD":"586054.995","Sample2-NoISD":"736309.761","Sample3-NoISD":"288001.875","Sample4-NoISD":"45874.809","Sample5-NoISD":"431608.98","Sample6-NoISD":"722806.377","Sample7-NoISD":"1105159.041","Sample8-NoISD":"353354.169","Sample9-NoISD":"1642955.871","Sample10-NoISD":"755324.283"},{"Metabolite":"C20H32O3(12)","Sample1-NoISD":"1714501.158","Sample2-NoISD":"2438217.498","Sample3-NoISD":"577814.697","Sample4-NoISD":"678267.561","Sample5-NoISD":"1002491.07","Sample6-NoISD":"2410221.318","Sample7-NoISD":"7187870.019","Sample8-NoISD":"1821658.2","Sample9-NoISD":"11054547.39","Sample10-NoISD":"2567513.424"},{"Metabolite":"C20H30O4(18)","Sample1-NoISD":"81842.193","Sample2-NoISD":"113158.125","Sample3-NoISD":"1000","Sample4-NoISD":"1000","Sample5-NoISD":"60353.988","Sample6-NoISD":"131529.804","Sample7-NoISD":"446501.325","Sample8-NoISD":"93889.806","Sample9-NoISD":"541524.762","Sample10-NoISD":"93111.849"},{"Metabolite":"docosahexaenoate(DHA)","Sample1-NoISD":"49925040.48","Sample2-NoISD":"81500384.96","Sample3-NoISD":"39155269.08","Sample4-NoISD":"56144886.56","Sample5-NoISD":"54673626.35","Sample6-NoISD":"71689919.03","Sample7-NoISD":"42073586.26","Sample8-NoISD":"42855700.69","Sample9-NoISD":"52450946.94","Sample10-NoISD":"51222479.25"},{"Metabolite":"clupanodonic acid/docosa-4,7,10,13,16-pentaenoic acid","Sample1-NoISD":"12879964.8","Sample2-NoISD":"26921017.13","Sample3-NoISD":"7976737.236","Sample4-NoISD":"10481128.52","Sample5-NoISD":"9915824.163","Sample6-NoISD":"21458085.38","Sample7-NoISD":"13671249.82","Sample8-NoISD":"9913438.524","Sample9-NoISD":"13448869.44","Sample10-NoISD":"10450549.31"},{"Metabolite":"UDP-D-glucose/UDP-D-galactose","Sample1-NoISD":"6127193.484","Sample2-NoISD":"11560163.23","Sample3-NoISD":"5209088.106","Sample4-NoISD":"6580574.262","Sample5-NoISD":"5102669.754","Sample6-NoISD":"14698443.8","Sample7-NoISD":"13820655.3","Sample8-NoISD":"7208958.132","Sample9-NoISD":"7522293.765","Sample10-NoISD":"13121727.79"},{"Metabolite":"ADP-mannose/GDP-L-fucose/ADP 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acid/taurochenodeoxycholate","Sample1-NoISD":"158669.064","Sample2-NoISD":"206206.818","Sample3-NoISD":"186786.318","Sample4-NoISD":"10523078.27","Sample5-NoISD":"138656.223","Sample6-NoISD":"194492.892","Sample7-NoISD":"43378.641","Sample8-NoISD":"68852.388","Sample9-NoISD":"149910.018","Sample10-NoISD":"461559.378"},{"Metabolite":"Ercalcitriol","Sample1-NoISD":"122584.59","Sample2-NoISD":"38724.894","Sample3-NoISD":"27994.794","Sample4-NoISD":"67828.497","Sample5-NoISD":"84752.46","Sample6-NoISD":"89278.365","Sample7-NoISD":"61210.419","Sample8-NoISD":"67662.849","Sample9-NoISD":"60094.212","Sample10-NoISD":"63298.956"},{"Metabolite":"L-isoleucine/L-leucine","Sample1-NoISD":"572840880.1","Sample2-NoISD":"575558637.1","Sample3-NoISD":"471504070.1","Sample4-NoISD":"2734173127","Sample5-NoISD":"510177443.1","Sample6-NoISD":"829634531","Sample7-NoISD":"738839438.7","Sample8-NoISD":"544873673.8","Sample9-NoISD":"601100809.2","Sample10-NoISD":"535319832"},{"Metabolite":"Diphosphate","Sample1-NoISD":"186318585.1","Sample2-NoISD":"272632584.6","Sample3-NoISD":"223393871.7","Sample4-NoISD":"250397835.6","Sample5-NoISD":"267649546.5","Sample6-NoISD":"224133120.5","Sample7-NoISD":"231313779.4","Sample8-NoISD":"217412700.7","Sample9-NoISD":"335592993.9","Sample10-NoISD":"196020528.3"},{"Metabolite":"L-cysteate","Sample1-NoISD":"2624354.718","Sample2-NoISD":"2869014.981","Sample3-NoISD":"1636147.155","Sample4-NoISD":"1608774.558","Sample5-NoISD":"1173225.099","Sample6-NoISD":"3442622.067","Sample7-NoISD":"2916726.693","Sample8-NoISD":"1768071.456","Sample9-NoISD":"2568785.055","Sample10-NoISD":"1692697.023"},{"Metabolite":"D-Glucuronate 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}

}