{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001189","ANALYSIS_ID":"AN001981","VERSION":"1","CREATED_ON":"June 9, 2019, 6:34 pm"},

"PROJECT":{"PROJECT_TITLE":"1H NMR spectroscopy-based metabolic profiling of Ophiocordyceps sinensis and Cordyceps militaris of water-boiled and 50% ethanol-soaked extracts","PROJECT_TYPE":"NMR","PROJECT_SUMMARY":"Introduction Ophiocordyceps sinensis, a well-known Chinese complementary herb, is a rare and valuable therapeutic resource. Cordyceps militaris (C. militaris) is a commonly used substitute for O. sinensis. A metabolomic-based approach for exploring the similarities and differences in the metabolites of O. sinensis and C. militaris in water-boiled and 50% ethanol-soaked extracts is of great significance. Objectives To determine a vital role of extraction methodologies in influencing the metabolic composition of herbs, 1HNMR-based profiling was used to characterize the metabolic fingerprints of O. sinensis and C. militaris. Methods To make a distinction between the global metabolite profiling of O. sinensis and C. militaris extracts obtained from either the water-boiled or 50% ethanol-soaked methods, we screened the herbs samples using 1HNMR-based metabolic fingerprints combined with multivariate statistical analysis. Results This study revealed that a total of 43 (82.69% of 52) metabolites were detectable in both O. sinensis and C. militaris. According to the variable importance in projection (VIP) value and p-value from the Mann-Whitney test, 7 metabolites (alanine, aspartate, glutamate, mannitol, ornithine, serine, and trehalose) differed between O. sinensis and C. militaris. Arginine, glucose, putrescine, pyroglutamate, betaine, O-phosphocholine, and xylose differed significantly between the water-boiled and 50% ethanol-soaked methods used to prepare the herb extracts. Conclusion A total of 52 primary metabolites were identified and quantified from O. sinensis and C. militaris samples. The study suggests that a water-boiled extraction is much faster method and strongly recommended over the 50% ethanol-soaked method for both O. sinensis and C. militaris.","INSTITUTE":"Sun Yat-sen University","LAST_NAME":"ZHONG","FIRST_NAME":"Xin","ADDRESS":"Guangzhou","EMAIL":"zhongxin@mail.sysu.edu.cn","PHONE":"862084112299"},

"STUDY":{"STUDY_TITLE":"1H NMR spectroscopy-based metabolic profiling of Ophiocordyceps sinensis and Cordyceps militaris of water-boiled and 50% ethanol-soaked extracts","STUDY_TYPE":"NMR","STUDY_SUMMARY":"Introduction Ophiocordyceps sinensis, a well-known Chinese complementary herb, is a rare and valuable therapeutic resource. Cordyceps militaris (C. militaris) is a commonly used substitute for O. sinensis. A metabolomic-based approach for exploring the similarities and differences in the metabolites of O. sinensis and C. militaris in water-boiled and 50% ethanol-soaked extracts is of great significance. Objectives To determine a vital role of extraction methodologies in influencing the metabolic composition of herbs, 1HNMR-based profiling was used to characterize the metabolic fingerprints of O. sinensis and C. militaris. Methods To make a distinction between the global metabolite profiling of O. sinensis and C. militaris extracts obtained from either the water-boiled or 50% ethanol-soaked methods, we screened the herbs samples using 1HNMR-based metabolic fingerprints combined with multivariate statistical analysis. Results This study revealed that a total of 43 (82.69% of 52) metabolites were detectable in both O. sinensis and C. militaris. According to the variable importance in projection (VIP) value and p-value from the Mann-Whitney test, 7 metabolites (alanine, aspartate, glutamate, mannitol, ornithine, serine, and trehalose) differed between O. sinensis and C. militaris. Arginine, glucose, putrescine, pyroglutamate, betaine, O-phosphocholine, and xylose differed significantly between the water-boiled and 50% ethanol-soaked methods used to prepare the herb extracts. Conclusion A total of 52 primary metabolites were identified and quantified from O. sinensis and C. militaris samples. The study suggests that a water-boiled extraction is much faster method and strongly recommended over the 50% ethanol-soaked method for both O. sinensis and C. militaris.","INSTITUTE":"Sun Yat-sen University","LAST_NAME":"ZHONG","FIRST_NAME":"Xin","ADDRESS":"Guangzhou","EMAIL":"zhongxin@mail.sysu.edu.cn","PHONE":"862084112299"},

"SUBJECT":{"SUBJECT_TYPE":"Fungi","SUBJECT_SPECIES":"Ophiocordyceps sinensis;Cordyceps militaris","TAXONOMY_ID":"72228;73501"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"A_cc_1",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"A_cc_2",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"A_cc_3",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"A_cc_4",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"A_cc_5",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"A_Yh_2",
"Factors":{"Species":"Cordyceps militaris","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"A_Yh_1",
"Factors":{"Species":"Cordyceps militaris","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"A_Yh_3",
"Factors":{"Species":"Cordyceps militaris","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"A_Yh_4",
"Factors":{"Species":"Cordyceps militaris","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"A_Yh_5",
"Factors":{"Species":"Cordyceps militaris","Treatment":"Boiled water"}
},
{
"Subject ID":"-",
"Sample ID":"B_cc_1",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"50% ethanol-soaked"}
},
{
"Subject ID":"-",
"Sample ID":"B_cc_2",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"50% ethanol-soaked"}
},
{
"Subject ID":"-",
"Sample ID":"B_cc_3",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"50% ethanol-soaked"}
},
{
"Subject ID":"-",
"Sample ID":"B_cc_4",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"50% ethanol-soaked"}
},
{
"Subject ID":"-",
"Sample ID":"B_cc_5",
"Factors":{"Species":"Ophiocordyceps sinensis","Treatment":"50% ethanol-soaked"}
},
{
"Subject ID":"-",
"Sample ID":"B_Yh_1",
"Factors":{"Species":"Cordyceps militaris","Treatment":"50% ethanol-soaked"}
},
{
"Subject ID":"-",
"Sample ID":"B_Yh_2",
"Factors":{"Species":"Cordyceps militaris","Treatment":"50% ethanol-soaked"}
},
{
"Subject ID":"-",
"Sample ID":"B_Yh_3",
"Factors":{"Species":"Cordyceps militaris","Treatment":"50% ethanol-soaked"}
},
{
"Subject ID":"-",
"Sample ID":"B_Yh_4",
"Factors":{"Species":"Cordyceps militaris","Treatment":"50% ethanol-soaked"}
},
{
"Subject ID":"-",
"Sample ID":"B_Yh_5",
"Factors":{"Species":"Cordyceps militaris","Treatment":"50% ethanol-soaked"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"two species were collected: Ophiocordyceps sinensis and Cordyceps militaris","SAMPLE_TYPE":"fungi"},

"TREATMENT":{"TREATMENT_SUMMARY":"two treatments: boiled water and 50% ethanol-soaked"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The extracts were centrifuged (15 min, 13,000 rpm) at 4oC and 3 mL of supernatant was collected. The supernatant was frozen at -80oC and then dried using a vacuum centrifugal evaporator (CHRiST, Alpha 2-4/LSC, Germany). The dried residues were separately dissolved in 3 mL of distilled water. A 600 µL extract was filtered (Millipore Amicon® ULTRA 3 kDa) and filtrates were collected. 3-(Trimethylsilyl) propanesulfonic acid (50 µL) pre-dissolved in D2O (an internal standard) was subsequently added to 450 µL of the filtrates. Finally, aliquots (480 µL) of each extract were transferred to a 5 mm NMR tube (Norell, Morganton, NC, USA) for NMR analysis."},

"ANALYSIS":{"ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"Bruker AV III 600 MHz NMR spectrometer","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","SPECTROMETER_FREQUENCY":"600 MHz"},

"NMR_METABOLITE_DATA":{
"Units":"ppm",

"Data":[{"Metabolite":"1-Methylnicotinamide","B_Yh_1":"0.0132","B_Yh_2":"0.0386","B_Yh_3":"0.0418","B_Yh_4":"0.0443","B_Yh_5":"0.0447","A_Yh_1":"0.0012","A_Yh_2":"0.0013","A_Yh_3":"0.0007","A_Yh_4":"0.0009","A_Yh_5":"0.0003","B_cc_1":"0.0195","B_cc_2":"0.0148","B_cc_3":"0.0202","B_cc_4":"0.0198","B_cc_5":"0.0236","A_cc_1":"0.0119","A_cc_2":"0.0168","A_cc_3":"0.017","A_cc_4":"0.0146","A_cc_5":"0.0179"},{"Metabolite":"2-Aminobutyrate","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.0257","A_Yh_2":"0.0205","A_Yh_3":"0.0149","A_Yh_4":"0.0193","A_Yh_5":"0.0213","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0251","A_cc_2":"0.0247","A_cc_3":"0.0236","A_cc_4":"0.0234","A_cc_5":"0.0222"},{"Metabolite":"3-Phenyllactate","B_Yh_1":"0.1331","B_Yh_2":"0.1457","B_Yh_3":"0.1487","B_Yh_4":"0.1704","B_Yh_5":"0.1638","A_Yh_1":"0","A_Yh_2":"0","A_Yh_3":"0","A_Yh_4":"0","A_Yh_5":"0","B_cc_1":"0.1354","B_cc_2":"0.111","B_cc_3":"0.1196","B_cc_4":"0.1023","B_cc_5":"0.1277","A_cc_1":"0","A_cc_2":"0","A_cc_3":"0","A_cc_4":"0","A_cc_5":"0"},{"Metabolite":"4-Aminobutyrate","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0","A_Yh_2":"0","A_Yh_3":"0","A_Yh_4":"0","A_Yh_5":"0","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.2017","A_cc_2":"0.2141","A_cc_3":"0.1917","A_cc_4":"0.1985","A_cc_5":"0.1718"},{"Metabolite":"Acetate","B_Yh_1":"0.1221","B_Yh_2":"0.1343","B_Yh_3":"0.1423","B_Yh_4":"0.1705","B_Yh_5":"0.1697","A_Yh_1":"0.1733","A_Yh_2":"0.1669","A_Yh_3":"0.1545","A_Yh_4":"0.1823","A_Yh_5":"0.1427","B_cc_1":"0.1009","B_cc_2":"0.1014","B_cc_3":"0.0749","B_cc_4":"0.0508","B_cc_5":"0.067","A_cc_1":"0.029","A_cc_2":"0.0232","A_cc_3":"0.0242","A_cc_4":"0.0271","A_cc_5":"0.0239"},{"Metabolite":"Adenosine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.07","A_Yh_2":"0.0696","A_Yh_3":"0.0695","A_Yh_4":"0.1006","A_Yh_5":"0.052","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0178","A_cc_2":"0.0121","A_cc_3":"0.016","A_cc_4":"0.0188","A_cc_5":"0.0186"},{"Metabolite":"Alanine","B_Yh_1":"1.465","B_Yh_2":"1.7655","B_Yh_3":"1.885","B_Yh_4":"1.8179","B_Yh_5":"1.733","A_Yh_1":"1.2998","A_Yh_2":"1.1787","A_Yh_3":"0.9588","A_Yh_4":"1.1601","A_Yh_5":"1.2783","B_cc_1":"1.0523","B_cc_2":"0.9823","B_cc_3":"0.9493","B_cc_4":"0.8497","B_cc_5":"1.021","A_cc_1":"0.6509","A_cc_2":"0.6991","A_cc_3":"0.6627","A_cc_4":"0.6181","A_cc_5":"0.6318"},{"Metabolite":"Arginine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.2543","A_Yh_2":"0.3709","A_Yh_3":"0.2057","A_Yh_4":"0.3259","A_Yh_5":"0.3164","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.299","A_cc_2":"0.2583","A_cc_3":"0.2814","A_cc_4":"0.2697","A_cc_5":"0.2527"},{"Metabolite":"Asparagine","B_Yh_1":"0.2744","B_Yh_2":"0.176","B_Yh_3":"0.1696","B_Yh_4":"0.2315","B_Yh_5":"0.2386","A_Yh_1":"0.1505","A_Yh_2":"0.1269","A_Yh_3":"0.0916","A_Yh_4":"0.0841","A_Yh_5":"0.1457","B_cc_1":"0.0259","B_cc_2":"0.0321","B_cc_3":"0.019","B_cc_4":"0.0207","B_cc_5":"0.0328","A_cc_1":"0.1142","A_cc_2":"0.1058","A_cc_3":"0.1037","A_cc_4":"0.1103","A_cc_5":"0.1019"},{"Metabolite":"Aspartate","B_Yh_1":"0.5532","B_Yh_2":"0.5219","B_Yh_3":"0.5564","B_Yh_4":"0.6203","B_Yh_5":"0.5949","A_Yh_1":"0.6627","A_Yh_2":"0.5665","A_Yh_3":"0.5087","A_Yh_4":"0.6684","A_Yh_5":"0.6725","B_cc_1":"0.3058","B_cc_2":"0.2647","B_cc_3":"0.2544","B_cc_4":"0.1449","B_cc_5":"0.2525","A_cc_1":"0.097","A_cc_2":"0.0889","A_cc_3":"0.1043","A_cc_4":"0.1133","A_cc_5":"0.1199"},{"Metabolite":"Betaine","B_Yh_1":"1.7068","B_Yh_2":"1.8664","B_Yh_3":"1.9309","B_Yh_4":"2.0586","B_Yh_5":"2.0686","A_Yh_1":"0.1706","A_Yh_2":"0.1477","A_Yh_3":"0.1163","A_Yh_4":"0.1378","A_Yh_5":"0.179","B_cc_1":"0.1762","B_cc_2":"0.1478","B_cc_3":"0.1958","B_cc_4":"0.1687","B_cc_5":"0.1861","A_cc_1":"0.3266","A_cc_2":"0.3654","A_cc_3":"0.3404","A_cc_4":"0.3053","A_cc_5":"0.3013"},{"Metabolite":"Choline","B_Yh_1":"0.2043","B_Yh_2":"0.2668","B_Yh_3":"0.3158","B_Yh_4":"0.2675","B_Yh_5":"0.2294","A_Yh_1":"0.289","A_Yh_2":"0.2673","A_Yh_3":"0.2362","A_Yh_4":"0.2867","A_Yh_5":"0.2356","B_cc_1":"0.3685","B_cc_2":"0.3118","B_cc_3":"0.3379","B_cc_4":"0.3446","B_cc_5":"0.3747","A_cc_1":"0.208","A_cc_2":"0.225","A_cc_3":"0.2125","A_cc_4":"0.1959","A_cc_5":"0.2027"},{"Metabolite":"Ethanolamine","B_Yh_1":"0.2469","B_Yh_2":"0.269","B_Yh_3":"0.3428","B_Yh_4":"0.3643","B_Yh_5":"0.308","A_Yh_1":"0.1346","A_Yh_2":"0.0912","A_Yh_3":"0.0727","A_Yh_4":"0.1144","A_Yh_5":"0.1303","B_cc_1":"0.467","B_cc_2":"0.4001","B_cc_3":"0.3989","B_cc_4":"0.3338","B_cc_5":"0.4229","A_cc_1":"0.1491","A_cc_2":"0.1438","A_cc_3":"0.1062","A_cc_4":"0.1516","A_cc_5":"0.1388"},{"Metabolite":"Formate","B_Yh_1":"0.1521","B_Yh_2":"0.2395","B_Yh_3":"0.2966","B_Yh_4":"0.2546","B_Yh_5":"0.2532","A_Yh_1":"0.2434","A_Yh_2":"0.2243","A_Yh_3":"0.179","A_Yh_4":"0.2067","A_Yh_5":"0.2466","B_cc_1":"0.1278","B_cc_2":"0.1389","B_cc_3":"0.1548","B_cc_4":"0.1152","B_cc_5":"0.182","A_cc_1":"0.0131","A_cc_2":"0.0093","A_cc_3":"0.0138","A_cc_4":"0.0115","A_cc_5":"0.0138"},{"Metabolite":"Fructose","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.2776","A_Yh_2":"0.1353","A_Yh_3":"0.1897","A_Yh_4":"0.2638","A_Yh_5":"0.2018","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0875","A_cc_2":"0.1357","A_cc_3":"0.1192","A_cc_4":"0.1143","A_cc_5":"0.1218"},{"Metabolite":"Fumarate","B_Yh_1":"0.0785","B_Yh_2":"0.1122","B_Yh_3":"0.136","B_Yh_4":"0.1096","B_Yh_5":"0.0763","A_Yh_1":"0.0539","A_Yh_2":"0.0377","A_Yh_3":"0.0189","A_Yh_4":"0.0079","A_Yh_5":"0.0682","B_cc_1":"0.0121","B_cc_2":"0.0111","B_cc_3":"0.0082","B_cc_4":"0.0053","B_cc_5":"0.0109","A_cc_1":"0.0038","A_cc_2":"0.0031","A_cc_3":"0.0041","A_cc_4":"0.0049","A_cc_5":"0.0053"},{"Metabolite":"Glucose","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.3702","A_Yh_2":"0.3178","A_Yh_3":"0.2748","A_Yh_4":"0.4489","A_Yh_5":"0.5123","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.3825","A_cc_2":"0.4318","A_cc_3":"0.3634","A_cc_4":"0.3533","A_cc_5":"0.4457"},{"Metabolite":"Glutamate","B_Yh_1":"2.567","B_Yh_2":"1.7212","B_Yh_3":"2.122","B_Yh_4":"1.7418","B_Yh_5":"2.1607","A_Yh_1":"1.9754","A_Yh_2":"1.7762","A_Yh_3":"1.5978","A_Yh_4":"1.9286","A_Yh_5":"2.0819","B_cc_1":"0.914","B_cc_2":"0.969","B_cc_3":"0.6197","B_cc_4":"0.7651","B_cc_5":"1.0371","A_cc_1":"0.4511","A_cc_2":"0.3457","A_cc_3":"0.4257","A_cc_4":"0.5482","A_cc_5":"0.622"},{"Metabolite":"Glutamine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0","A_Yh_2":"0","A_Yh_3":"0","A_Yh_4":"0","A_Yh_5":"0","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.2627","A_cc_2":"0.3009","A_cc_3":"0.2855","A_cc_4":"0.2663","A_cc_5":"0.2415"},{"Metabolite":"Glycerol","B_Yh_1":"0.8782","B_Yh_2":"1.0115","B_Yh_3":"0.7429","B_Yh_4":"1.1388","B_Yh_5":"1.0847","A_Yh_1":"1.0488","A_Yh_2":"0.9835","A_Yh_3":"0.8532","A_Yh_4":"1.0691","A_Yh_5":"0.9725","B_cc_1":"1.3206","B_cc_2":"0.8568","B_cc_3":"0.8144","B_cc_4":"0.6691","B_cc_5":"0.6838","A_cc_1":"0.5686","A_cc_2":"0.5172","A_cc_3":"0.5606","A_cc_4":"0.6517","A_cc_5":"0.5947"},{"Metabolite":"Glycine","B_Yh_1":"0.1574","B_Yh_2":"0.1236","B_Yh_3":"0.2616","B_Yh_4":"0.2244","B_Yh_5":"0.2408","A_Yh_1":"0.0603","A_Yh_2":"0.0694","A_Yh_3":"0.0637","A_Yh_4":"0.0922","A_Yh_5":"0.0524","B_cc_1":"0.0591","B_cc_2":"0.0689","B_cc_3":"0.129","B_cc_4":"0.1375","B_cc_5":"0.1613","A_cc_1":"0.0879","A_cc_2":"0.0818","A_cc_3":"0.087","A_cc_4":"0.0817","A_cc_5":"0.0953"},{"Metabolite":"Guanosine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.0194","A_Yh_2":"0.0232","A_Yh_3":"0.0217","A_Yh_4":"0.0317","A_Yh_5":"0.0111","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0145","A_cc_2":"0.0138","A_cc_3":"0.0182","A_cc_4":"0.0195","A_cc_5":"0.0146"},{"Metabolite":"Hypoxanthine","B_Yh_1":"0.228","B_Yh_2":"0.2374","B_Yh_3":"0.2454","B_Yh_4":"0.2501","B_Yh_5":"0.1928","A_Yh_1":"0","A_Yh_2":"0","A_Yh_3":"0","A_Yh_4":"0","A_Yh_5":"0","B_cc_1":"0.0171","B_cc_2":"0.0179","B_cc_3":"0.0211","B_cc_4":"0.0134","B_cc_5":"0.0208","A_cc_1":"0","A_cc_2":"0","A_cc_3":"0","A_cc_4":"0","A_cc_5":"0"},{"Metabolite":"Inosine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0","A_Yh_2":"0","A_Yh_3":"0","A_Yh_4":"0","A_Yh_5":"0","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0078","A_cc_2":"0.0086","A_cc_3":"0.0068","A_cc_4":"0.0082","A_cc_5":"0.0103"},{"Metabolite":"Isoleucine","B_Yh_1":"0.105","B_Yh_2":"0.1273","B_Yh_3":"0.0826","B_Yh_4":"0.1437","B_Yh_5":"0.1098","A_Yh_1":"0.0937","A_Yh_2":"0.0849","A_Yh_3":"0.0757","A_Yh_4":"0.1076","A_Yh_5":"0.0761","B_cc_1":"0.1338","B_cc_2":"0.0541","B_cc_3":"0.0553","B_cc_4":"0.0403","B_cc_5":"0.0523","A_cc_1":"0.0459","A_cc_2":"0.0418","A_cc_3":"0.045","A_cc_4":"0.0515","A_cc_5":"0.059"},{"Metabolite":"Lactate","B_Yh_1":"0.5239","B_Yh_2":"0.2939","B_Yh_3":"0.1597","B_Yh_4":"0.2835","B_Yh_5":"0.0853","A_Yh_1":"0.0572","A_Yh_2":"0.0499","A_Yh_3":"0.0751","A_Yh_4":"0.0667","A_Yh_5":"0.0557","B_cc_1":"0.2575","B_cc_2":"0.06","B_cc_3":"0.1131","B_cc_4":"0.0493","B_cc_5":"0.047","A_cc_1":"0.0425","A_cc_2":"0.034","A_cc_3":"0.0448","A_cc_4":"0.0614","A_cc_5":"0.047"},{"Metabolite":"Leucine","B_Yh_1":"0.2021","B_Yh_2":"0.16","B_Yh_3":"0.197","B_Yh_4":"0.1329","B_Yh_5":"0.2768","A_Yh_1":"0.0991","A_Yh_2":"0.1052","A_Yh_3":"0.0895","A_Yh_4":"0.1378","A_Yh_5":"0.0855","B_cc_1":"0.1334","B_cc_2":"0.1379","B_cc_3":"0.09","B_cc_4":"0.0783","B_cc_5":"0.1191","A_cc_1":"0.0674","A_cc_2":"0.0595","A_cc_3":"0.0644","A_cc_4":"0.0744","A_cc_5":"0.0861"},{"Metabolite":"Lysine","B_Yh_1":"0.2457","B_Yh_2":"0.5117","B_Yh_3":"0.6231","B_Yh_4":"0.5955","B_Yh_5":"0.3299","A_Yh_1":"0.3945","A_Yh_2":"0.4114","A_Yh_3":"0.3495","A_Yh_4":"0.483","A_Yh_5":"0.348","B_cc_1":"0.5003","B_cc_2":"0.4706","B_cc_3":"0.3688","B_cc_4":"0.3254","B_cc_5":"0.4196","A_cc_1":"0.3603","A_cc_2":"0.3994","A_cc_3":"0.3802","A_cc_4":"0.3082","A_cc_5":"0.4124"},{"Metabolite":"Mannitol","B_Yh_1":"5.2057","B_Yh_2":"5.0244","B_Yh_3":"5.679","B_Yh_4":"5.8474","B_Yh_5":"6.4625","A_Yh_1":"6.0522","A_Yh_2":"5.3223","A_Yh_3":"3.9664","A_Yh_4":"4.6447","A_Yh_5":"6.2893","B_cc_1":"10.3498","B_cc_2":"9.3345","B_cc_3":"8.53","B_cc_4":"7.4413","B_cc_5":"9.5496","A_cc_1":"8.2276","A_cc_2":"8.6908","A_cc_3":"8.3783","A_cc_4":"7.8496","A_cc_5":"8.0896"},{"Metabolite":"Methanol","B_Yh_1":"0.0813","B_Yh_2":"0.0689","B_Yh_3":"0.0378","B_Yh_4":"0.0457","B_Yh_5":"0.0754","A_Yh_1":"0.069","A_Yh_2":"0.0646","A_Yh_3":"0.0657","A_Yh_4":"0.0683","A_Yh_5":"0.0786","B_cc_1":"0.0823","B_cc_2":"0.0518","B_cc_3":"0.0691","B_cc_4":"0.0911","B_cc_5":"0.0694","A_cc_1":"0.067","A_cc_2":"0.0656","A_cc_3":"0.0636","A_cc_4":"0.0668","A_cc_5":"0.0666"},{"Metabolite":"Nicotinate","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0","A_Yh_2":"0","A_Yh_3":"0","A_Yh_4":"0","A_Yh_5":"0","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0088","A_cc_2":"0.0013","A_cc_3":"0.0073","A_cc_4":"0.008","A_cc_5":"0.0067"},{"Metabolite":"Nicotinurate","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.0162","A_Yh_2":"0.02","A_Yh_3":"0.008","A_Yh_4":"0.0137","A_Yh_5":"0.0141","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0","A_cc_2":"0","A_cc_3":"0","A_cc_4":"0","A_cc_5":"0"},{"Metabolite":"O-Phosphocholine","B_Yh_1":"0.5828","B_Yh_2":"0.5717","B_Yh_3":"0.5869","B_Yh_4":"0.6393","B_Yh_5":"0.674","A_Yh_1":"0","A_Yh_2":"0","A_Yh_3":"0","A_Yh_4":"0","A_Yh_5":"0","B_cc_1":"0.0608","B_cc_2":"0.0759","B_cc_3":"0.0821","B_cc_4":"0.053","B_cc_5":"0.06","A_cc_1":"0","A_cc_2":"0","A_cc_3":"0","A_cc_4":"0","A_cc_5":"0"},{"Metabolite":"Ornithine","B_Yh_1":"0.9373","B_Yh_2":"0.5537","B_Yh_3":"1.1164","B_Yh_4":"0.7424","B_Yh_5":"0.5858","A_Yh_1":"1.1281","A_Yh_2":"1.0431","A_Yh_3":"0.9064","A_Yh_4":"1.3035","A_Yh_5":"1.0163","B_cc_1":"0.2608","B_cc_2":"0.1459","B_cc_3":"0.1273","B_cc_4":"0.1113","B_cc_5":"0.1926","A_cc_1":"0.3011","A_cc_2":"0.2889","A_cc_3":"0.3773","A_cc_4":"0.3221","A_cc_5":"0.4502"},{"Metabolite":"Phenylalanine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.0787","A_Yh_2":"0.0835","A_Yh_3":"0.0703","A_Yh_4":"0.0889","A_Yh_5":"0.0648","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0829","A_cc_2":"0.062","A_cc_3":"0.0747","A_cc_4":"0.0855","A_cc_5":"0.1058"},{"Metabolite":"Proline","B_Yh_1":"0.5643","B_Yh_2":"0.5334","B_Yh_3":"0.3997","B_Yh_4":"0.4896","B_Yh_5":"0.5572","A_Yh_1":"0.5916","A_Yh_2":"0.5199","A_Yh_3":"0.3977","A_Yh_4":"0.5882","A_Yh_5":"0.5987","B_cc_1":"0.5609","B_cc_2":"0.3617","B_cc_3":"0.5474","B_cc_4":"0.3692","B_cc_5":"0.504","A_cc_1":"0.2968","A_cc_2":"0.2191","A_cc_3":"0.278","A_cc_4":"0.3051","A_cc_5":"0.2838"},{"Metabolite":"Putrescine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.5386","A_Yh_2":"0.4973","A_Yh_3":"0.4567","A_Yh_4":"0.6182","A_Yh_5":"0.4811","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0875","A_cc_2":"0.1048","A_cc_3":"0.0645","A_cc_4":"0.0859","A_cc_5":"0.0772"},{"Metabolite":"Pyroglutamate","B_Yh_1":"0.8667","B_Yh_2":"1.1104","B_Yh_3":"1.0861","B_Yh_4":"0.8954","B_Yh_5":"1.1983","A_Yh_1":"1.221","A_Yh_2":"1.0777","A_Yh_3":"0.8444","A_Yh_4":"0.8877","A_Yh_5":"1.4084","B_cc_1":"1.2771","B_cc_2":"1.3346","B_cc_3":"1.4522","B_cc_4":"1.6102","B_cc_5":"1.5408","A_cc_1":"0.6274","A_cc_2":"0.7796","A_cc_3":"0.7815","A_cc_4":"0.6744","A_cc_5":"0.5824"},{"Metabolite":"Serine","B_Yh_1":"1.0162","B_Yh_2":"0.7839","B_Yh_3":"0.8519","B_Yh_4":"0.9071","B_Yh_5":"0.9178","A_Yh_1":"0.6025","A_Yh_2":"0.6836","A_Yh_3":"0.5443","A_Yh_4":"0.7341","A_Yh_5":"0.626","B_cc_1":"0.4867","B_cc_2":"0.3801","B_cc_3":"0.2536","B_cc_4":"0.1487","B_cc_5":"0.1609","A_cc_1":"0.1225","A_cc_2":"0.1242","A_cc_3":"0.1182","A_cc_4":"0.142","A_cc_5":"0.1316"},{"Metabolite":"Taurine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.2478","A_Yh_2":"0.3055","A_Yh_3":"0.158","A_Yh_4":"0.2426","A_Yh_5":"0.2883","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0","A_cc_2":"0","A_cc_3":"0","A_cc_4":"0","A_cc_5":"0"},{"Metabolite":"Threonine","B_Yh_1":"0.5602","B_Yh_2":"0.8404","B_Yh_3":"1.0031","B_Yh_4":"0.8889","B_Yh_5":"0.6517","A_Yh_1":"0.5409","A_Yh_2":"0.5003","A_Yh_3":"0.4294","A_Yh_4":"0.5377","A_Yh_5":"0.5124","B_cc_1":"0.4166","B_cc_2":"0.3246","B_cc_3":"0.2725","B_cc_4":"0.1982","B_cc_5":"0.2821","A_cc_1":"0.1203","A_cc_2":"0.1185","A_cc_3":"0.1129","A_cc_4":"0.1191","A_cc_5":"0.1289"},{"Metabolite":"Trehalose","B_Yh_1":"17.8595","B_Yh_2":"20.6808","B_Yh_3":"18.3632","B_Yh_4":"19.9543","B_Yh_5":"22.1553","A_Yh_1":"13.2166","A_Yh_2":"12.2714","A_Yh_3":"10.8925","A_Yh_4":"14.1502","A_Yh_5":"11.198","B_cc_1":"7.4473","B_cc_2":"6.4249","B_cc_3":"6.0727","B_cc_4":"5.0262","B_cc_5":"6.3767","A_cc_1":"4.3833","A_cc_2":"4.9429","A_cc_3":"4.5124","A_cc_4":"4.5157","A_cc_5":"4.5105"},{"Metabolite":"Trigonelline","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.0287","A_Yh_2":"0.0253","A_Yh_3":"0.0177","A_Yh_4":"0.022","A_Yh_5":"0.0292","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0","A_cc_2":"0","A_cc_3":"0","A_cc_4":"0","A_cc_5":"0"},{"Metabolite":"Trimethylamine","B_Yh_1":"0.0375","B_Yh_2":"0.0351","B_Yh_3":"0.034","B_Yh_4":"0.0427","B_Yh_5":"0.0526","A_Yh_1":"0.0032","A_Yh_2":"0.0032","A_Yh_3":"0.0024","A_Yh_4":"0.0034","A_Yh_5":"0.0035","B_cc_1":"0.0742","B_cc_2":"0.0835","B_cc_3":"0.1139","B_cc_4":"0.107","B_cc_5":"0.1016","A_cc_1":"0.0105","A_cc_2":"0.0086","A_cc_3":"0.0101","A_cc_4":"0.0101","A_cc_5":"0.0107"},{"Metabolite":"Trimethylamine N-oxide","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0","A_Yh_2":"0","A_Yh_3":"0","A_Yh_4":"0","A_Yh_5":"0","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.029","A_cc_2":"0.0273","A_cc_3":"0.0297","A_cc_4":"0.0298","A_cc_5":"0.0257"},{"Metabolite":"Tryptophan","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.0106","A_Yh_2":"0.011","A_Yh_3":"0.0107","A_Yh_4":"0.0116","A_Yh_5":"0.0106","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0126","A_cc_2":"0.0147","A_cc_3":"0.0092","A_cc_4":"0.0085","A_cc_5":"0.0101"},{"Metabolite":"Tyrosine","B_Yh_1":"0.3533","B_Yh_2":"0.3877","B_Yh_3":"0.4326","B_Yh_4":"0.4602","B_Yh_5":"0.3808","A_Yh_1":"0.4387","A_Yh_2":"0.3822","A_Yh_3":"0.2935","A_Yh_4":"0.346","A_Yh_5":"0.4533","B_cc_1":"0.1936","B_cc_2":"0.1848","B_cc_3":"0.1947","B_cc_4":"0.1781","B_cc_5":"0.2159","A_cc_1":"0.1269","A_cc_2":"0.1443","A_cc_3":"0.1307","A_cc_4":"0.1173","A_cc_5":"0.1243"},{"Metabolite":"UDP-N-Acetylglucosamine","B_Yh_1":"0.0824","B_Yh_2":"0.1048","B_Yh_3":"0.0973","B_Yh_4":"0.1221","B_Yh_5":"0.105","A_Yh_1":"0.0755","A_Yh_2":"0.0633","A_Yh_3":"0.0463","A_Yh_4":"0.0497","A_Yh_5":"0.0684","B_cc_1":"0.0145","B_cc_2":"0.0151","B_cc_3":"0.0193","B_cc_4":"0.0138","B_cc_5":"0.0178","A_cc_1":"0.0093","A_cc_2":"0.0102","A_cc_3":"0.0125","A_cc_4":"0.0119","A_cc_5":"0.0122"},{"Metabolite":"Uridine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0.0787","A_Yh_2":"0.0859","A_Yh_3":"0.077","A_Yh_4":"0.1222","A_Yh_5":"0.0579","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.0665","A_cc_2":"0.069","A_cc_3":"0.0695","A_cc_4":"0.0648","A_cc_5":"0.0608"},{"Metabolite":"Valine","B_Yh_1":"0.581","B_Yh_2":"0.554","B_Yh_3":"0.6331","B_Yh_4":"0.6895","B_Yh_5":"0.7168","A_Yh_1":"0.494","A_Yh_2":"0.4879","A_Yh_3":"0.3992","A_Yh_4":"0.4935","A_Yh_5":"0.5045","B_cc_1":"0.2766","B_cc_2":"0.2252","B_cc_3":"0.2166","B_cc_4":"0.1871","B_cc_5":"0.2411","A_cc_1":"0.1528","A_cc_2":"0.1299","A_cc_3":"0.1397","A_cc_4":"0.1521","A_cc_5":"0.1683"},{"Metabolite":"Xylose","B_Yh_1":"0.3746","B_Yh_2":"0.6459","B_Yh_3":"0.7821","B_Yh_4":"0.6049","B_Yh_5":"0.752","A_Yh_1":"0.0002","A_Yh_2":"0.0003","A_Yh_3":"0.0011","A_Yh_4":"0.0007","A_Yh_5":"0.0005","B_cc_1":"2.2064","B_cc_2":"2.1033","B_cc_3":"4.1472","B_cc_4":"3.6992","B_cc_5":"2.9457","A_cc_1":"0.0284","A_cc_2":"0.0301","A_cc_3":"0.0352","A_cc_4":"0.0281","A_cc_5":"0.034"},{"Metabolite":"pi-Methylhistidine","B_Yh_1":"0","B_Yh_2":"0","B_Yh_3":"0","B_Yh_4":"0","B_Yh_5":"0","A_Yh_1":"0","A_Yh_2":"0","A_Yh_3":"0","A_Yh_4":"0","A_Yh_5":"0","B_cc_1":"0","B_cc_2":"0","B_cc_3":"0","B_cc_4":"0","B_cc_5":"0","A_cc_1":"0.1665","A_cc_2":"0.1528","A_cc_3":"0.1612","A_cc_4":"0.2015","A_cc_5":"0.2241"}],

"Metabolites":[{"Metabolite":"1-Methylnicotinamide","PubChem ID":"457","KEGG ID":"C02918"},{"Metabolite":"2-Aminobutyrate","PubChem ID":"80283","KEGG ID":"C02356"},{"Metabolite":"3-Phenyllactate","PubChem ID":"3848","KEGG ID":"C05607"},{"Metabolite":"4-Aminobutyrate","PubChem ID":"119","KEGG ID":"C00334"},{"Metabolite":"Acetate","PubChem ID":"176","KEGG ID":"C00033"},{"Metabolite":"Adenosine","PubChem ID":"60961","KEGG ID":"C00212"},{"Metabolite":"Alanine","PubChem ID":"5950","KEGG ID":"C00041"},{"Metabolite":"Arginine","PubChem ID":"6322","KEGG ID":"C00062"},{"Metabolite":"Asparagine","PubChem ID":"6267","KEGG ID":"C00152"},{"Metabolite":"Aspartate","PubChem ID":"5960","KEGG ID":"C00049"},{"Metabolite":"Betaine","PubChem ID":"248","KEGG ID":"C00719"},{"Metabolite":"Choline","PubChem ID":"305","KEGG ID":"C00114"},{"Metabolite":"Ethanolamine","PubChem ID":"700","KEGG ID":"C00189"},{"Metabolite":"Formate","PubChem ID":"284","KEGG ID":"C00058"},{"Metabolite":"Fructose","PubChem ID":"439163","KEGG ID":"C00095"},{"Metabolite":"Fumarate","PubChem ID":"723","KEGG ID":"C00122"},{"Metabolite":"Glucose","PubChem ID":"5793","KEGG ID":"C00031"},{"Metabolite":"Glutamate","PubChem ID":"33032","KEGG ID":"C00025"},{"Metabolite":"Glutamine","PubChem ID":"5961","KEGG ID":"C00064"},{"Metabolite":"Glycerol","PubChem ID":"753","KEGG ID":"C00116"},{"Metabolite":"Glycine","PubChem ID":"750","KEGG ID":"C00037"},{"Metabolite":"Guanosine","PubChem ID":"6802","KEGG ID":"C00387"},{"Metabolite":"Hypoxanthine","PubChem ID":"790","KEGG ID":"C00262"},{"Metabolite":"Inosine","PubChem ID":"6021","KEGG ID":"C00294"},{"Metabolite":"Isoleucine","PubChem ID":"6306","KEGG ID":"C00407"},{"Metabolite":"Lactate","PubChem ID":"107689","KEGG ID":"C00186"},{"Metabolite":"Leucine","PubChem ID":"6106","KEGG ID":"C00123"},{"Metabolite":"Lysine","PubChem ID":"5962","KEGG ID":"C00047"},{"Metabolite":"Mannitol","PubChem ID":"6251","KEGG ID":"C00392"},{"Metabolite":"Methanol","PubChem ID":"887","KEGG ID":"C00132"},{"Metabolite":"Nicotinate","PubChem ID":"938","KEGG ID":"C00253"},{"Metabolite":"Nicotinurate","PubChem ID":"68499","KEGG ID":"C05380"},{"Metabolite":"O-Phosphocholine","PubChem ID":"1014","KEGG ID":"C00588"},{"Metabolite":"Ornithine","PubChem ID":"6262","KEGG ID":"C00077"},{"Metabolite":"Phenylalanine","PubChem ID":"6140","KEGG ID":"C00079"},{"Metabolite":"pi-Methylhistidine","PubChem ID":"64969","KEGG ID":"C01152"},{"Metabolite":"Proline","PubChem ID":"145742","KEGG ID":"C00148"},{"Metabolite":"Putrescine","PubChem ID":"1045","KEGG ID":"C00134"},{"Metabolite":"Pyroglutamate","PubChem ID":"7405","KEGG ID":"C01879"},{"Metabolite":"Serine","PubChem ID":"5951","KEGG ID":"C00065"},{"Metabolite":"Taurine","PubChem ID":"1123","KEGG ID":"C00245"},{"Metabolite":"Threonine","PubChem ID":"6288","KEGG ID":"C00188"},{"Metabolite":"Trehalose","PubChem ID":"7427","KEGG ID":"C01083"},{"Metabolite":"Trigonelline","PubChem ID":"5571","KEGG ID":"C01004"},{"Metabolite":"Trimethylamine","PubChem ID":"1146","KEGG ID":"C00565"},{"Metabolite":"Trimethylamine N-oxide","PubChem ID":"1145","KEGG ID":"C01104"},{"Metabolite":"Tryptophan","PubChem ID":"6305","KEGG ID":"C00078"},{"Metabolite":"Tyrosine","PubChem ID":"6057","KEGG ID":"C00082"},{"Metabolite":"UDP-N-Acetylglucosamine","PubChem ID":"445675","KEGG ID":"C00043"},{"Metabolite":"Uridine","PubChem ID":"6029","KEGG ID":"C00299"},{"Metabolite":"Valine","PubChem ID":"6287","KEGG ID":"C00183"},{"Metabolite":"Xylose","PubChem ID":"135191","KEGG ID":"C00181"}]
}

}