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{"Metabolite":"2-Methylbutyroylcarnitine","pos_in_ppm":1.12,"couple_code":"1,1","J_constant":"9.96,7.01","relative_intensity":3,"Accession":"HMDB0000378","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"2-Methylbutyroylcarnitine","pos_in_ppm":1.5,"couple_code":"1,3","J_constant":"14.31,7.13","relative_intensity":1,"Accession":"HMDB0000378","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"2-Methylbutyroylcarnitine","pos_in_ppm":3.18,"couple_code":"0","relative_intensity":6,"Accession":"HMDB0000378","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"3,4-Dihydroxyhydrocinnamic acid","pos_in_ppm":6.82,"couple_code":"1","J_constant":"2.10","relative_intensity":1,"Accession":"HMDB0000423","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"2-Furoylglycine","pos_in_ppm":7.19,"couple_code":"1","J_constant":"3.13","relative_intensity":1,"Accession":"HMDB0000439","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"2-Furoylglycine","pos_in_ppm":7.7,"couple_code":"1","J_constant":"0.99","relative_intensity":1,"Accession":"HMDB0000439","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"3-Hydroxyphenylacetic acid","pos_in_ppm":6.86,"couple_code":"1,1","J_constant":"7.55,0.41","relative_intensity":1,"Accession":"HMDB0000440","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"3-Hydroxyphenylacetic acid","pos_in_ppm":7.26,"couple_code":"2","J_constant":"7.75","relative_intensity":1,"Accession":"HMDB0000440","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"(S)-3-Hydroxybutyric acid","pos_in_ppm":1.21,"couple_code":"1","J_constant":"6.32","relative_intensity":3,"Accession":"HMDB0000442","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"3-Furoic acid","pos_in_ppm":6.67,"couple_code":"1","J_constant":"1.04","relative_intensity":1,"Accession":"HMDB0000444","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"3-Furoic acid","pos_in_ppm":7.52,"couple_code":"2","J_constant":"1.65","relative_intensity":1,"Accession":"HMDB0000444","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"3-Furoic acid","pos_in_ppm":7.93,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000444","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Alpha-acetyllysine","pos_in_ppm":7.92,"couple_code":"1","J_constant":"7.05","relative_intensity":5,"Accession":"HMDB0000446","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Alpha-acetyllysine","pos_in_ppm":2.99,"couple_code":"2","J_constant":"7.55","relative_intensity":9,"Accession":"HMDB0000446","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Alpha-acetyllysine","pos_in_ppm":2.02,"couple_code":"0","relative_intensity":11,"Accession":"HMDB0000446","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Alpha-acetyllysine","pos_in_ppm":1.4,"couple_code":"1,3","J_constant":"7.71","relative_intensity":1,"Accession":"HMDB0000446","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"L-Alpha-aminobutyric acid","pos_in_ppm":0.982,"couple_code":"2","J_constant":"7.58","relative_intensity":3,"Accession":"HMDB0000452","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Delta-Hexanolactone","pos_in_ppm":1.16,"couple_code":"1","J_constant":"6.27","relative_intensity":3,"Accession":"HMDB0000453","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Delta-Hexanolactone","pos_in_ppm":1.35,"couple_code":"1","J_constant":"6.38","relative_intensity":3,"Accession":"HMDB0000453","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Chenodeoxycholic acid","pos_in_ppm":0.985,"couple_code":"2,1","J_constant":"14.19,3.21","relative_intensity":1,"Accession":"HMDB0000518","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"Chenodeoxycholic acid","pos_in_ppm":2.092,"couple_code":"1,1,1","J_constant":"13.84,9.67,6.81","relative_intensity":1,"Accession":"HMDB0000518","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"Chenodeoxycholic acid","pos_in_ppm":2.212,"couple_code":"2,1","J_constant":"9.41,5.03","relative_intensity":1,"Accession":"HMDB0000518","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
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{"Metabolite":"4,5-Dihydroorotic acid","pos_in_ppm":2.97,"couple_code":"1,1","J_constant":"17.07,6.73","relative_intensity":1,"Accession":"HMDB0000528","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"4,5-Dihydroorotic acid","pos_in_ppm":4.12,"couple_code":"2","J_constant":"6.66","relative_intensity":1,"Accession":"HMDB0000528","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"5-Dodecenoic acid","pos_in_ppm":2.2,"couple_code":"2","J_constant":"7.58","relative_intensity":6,"Accession":"HMDB0000529","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"Adenylsuccinic acid","pos_in_ppm":3.34,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000536","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Adenylsuccinic acid","pos_in_ppm":4.36,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000536","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Adenylsuccinic acid","pos_in_ppm":6.12,"couple_code":"1","J_constant":"5.71","relative_intensity":1,"Accession":"HMDB0000536","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Adenylsuccinic acid","pos_in_ppm":8.26,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000536","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Adenylsuccinic acid","pos_in_ppm":8.44,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000536","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Adenosine triphosphate","pos_in_ppm":4.619,"couple_code":"2","J_constant":"5.39","relative_intensity":1,"Accession":"HMDB0000538","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Adenosine triphosphate","pos_in_ppm":8.526,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000538","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Benzenebutanoic acid","pos_in_ppm":2.68,"couple_code":"2","J_constant":"7.62","relative_intensity":2,"Accession":"HMDB0000543","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Benzenebutanoic acid","pos_in_ppm":2.38,"couple_code":"2","J_constant":"7.44","relative_intensity":2,"Accession":"HMDB0000543","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Benzenebutanoic acid","pos_in_ppm":1.98,"couple_code":"2,2","J_constant":"7.53","relative_intensity":2,"Accession":"HMDB0000543","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"5-Hydroxymethyl-4-methyluracil","pos_in_ppm":2.29,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000544","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"5-Hydroxymethyl-4-methyluracil","pos_in_ppm":4.42,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000544","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Epietiocholanolone","pos_in_ppm":0.87,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000546","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Epietiocholanolone","pos_in_ppm":1,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000546","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Epietiocholanolone","pos_in_ppm":1.45,"couple_code":"1,1","J_constant":"14.31,4.11","relative_intensity":1,"Accession":"HMDB0000546","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Epietiocholanolone","pos_in_ppm":2.45,"couple_code":"1,1","J_constant":"19.21,8.82","relative_intensity":1,"Accession":"HMDB0000546","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Epietiocholanolone","pos_in_ppm":4.12,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000546","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"TG(10:0/10:0/10:0)","pos_in_ppm":0.89,"couple_code":"2","J_constant":"6.90","relative_intensity":9,"Accession":"HMDB0000548","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500}
{"Metabolite":"TG(10:0/10:0/10:0)","pos_in_ppm":1.29,"couple_code":"0","relative_intensity":36,"Accession":"HMDB0000548","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500}
{"Metabolite":"TG(10:0/10:0/10:0)","pos_in_ppm":2.3,"couple_code":"2","J_constant":"7.61","relative_intensity":4,"Accession":"HMDB0000548","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500}
{"Metabolite":"TG(10:0/10:0/10:0)","pos_in_ppm":2.33,"couple_code":"2","J_constant":"7.54","relative_intensity":2,"Accession":"HMDB0000548","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500}
{"Metabolite":"TG(10:0/10:0/10:0)","pos_in_ppm":4.16,"couple_code":"1,1","J_constant":"11.92,5.97","relative_intensity":2,"Accession":"HMDB0000548","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500}
{"Metabolite":"TG(10:0/10:0/10:0)","pos_in_ppm":4.3,"couple_code":"1,1","J_constant":"11.90,4.30","relative_intensity":2,"Accession":"HMDB0000548","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500}
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{"Metabolite":"Gamma-Butyrolactone","pos_in_ppm":4.33,"couple_code":"2","J_constant":"7.06","relative_intensity":2,"Accession":"HMDB0000549","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Dihydroandrosterone","pos_in_ppm":4.05,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000554","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Dihydroandrosterone","pos_in_ppm":3.64,"couple_code":"2","J_constant":"8.44","relative_intensity":1,"Accession":"HMDB0000554","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Dihydroandrosterone","pos_in_ppm":1.8,"couple_code":"2,1","J_constant":"12.33,3.24","relative_intensity":1,"Accession":"HMDB0000554","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Dihydroandrosterone","pos_in_ppm":1.06,"couple_code":"2,1","J_constant":"12.79,4.03","relative_intensity":1,"Accession":"HMDB0000554","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Dihydroandrosterone","pos_in_ppm":0.8,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000554","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Dihydroandrosterone","pos_in_ppm":0.74,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000554","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"3-Methyladipic acid","pos_in_ppm":1.9,"couple_code":"1,1,1","J_constant":"13.77,7.09","relative_intensity":1,"Accession":"HMDB0000555","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"4.00"}
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{"Metabolite":"3-Methyladipic acid","pos_in_ppm":0.94,"couple_code":"1","J_constant":"6.73","relative_intensity":1,"Accession":"HMDB0000555","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"4.00"}
{"Metabolite":"Creatinine","pos_in_ppm":3.03,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000562","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Creatinine","pos_in_ppm":4.05,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000562","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"PC(16:0/16:0)","pos_in_ppm":4.26,"couple_code":"1,1","J_constant":"11.94,7.27","relative_intensity":1,"Accession":"HMDB0000564","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"PC(16:0/16:0)","pos_in_ppm":3.5,"couple_code":"0","relative_intensity":10,"Accession":"HMDB0000564","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
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{"Metabolite":"Galactonic acid","pos_in_ppm":4.24,"couple_code":"1","J_constant":"1.54","relative_intensity":1,"Accession":"HMDB0000565","Blood":true,"Urine":true,"Solvent":"5%_DMSO","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Cinnamic acid","pos_in_ppm":6.51,"couple_code":"1","J_constant":"16.07","relative_intensity":1,"Accession":"HMDB0000567","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Cinnamic acid","pos_in_ppm":7.61,"couple_code":"1,1","J_constant":"7.95,1.13","relative_intensity":1,"Accession":"HMDB0000567","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Elaidic acid","pos_in_ppm":0.88,"couple_code":"2","J_constant":"6.93","relative_intensity":8,"Accession":"HMDB0000573","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not applic"}
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{"Metabolite":"5beta-Coprostanol","pos_in_ppm":0.65,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000577","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"5beta-Coprostanol","pos_in_ppm":0.86,"couple_code":"1,1","J_constant":"6.60,2.64","relative_intensity":6,"Accession":"HMDB0000577","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"5beta-Coprostanol","pos_in_ppm":0.9,"couple_code":"1","J_constant":"6.60","relative_intensity":3,"Accession":"HMDB0000577","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"3,5-Diiodothyronine","pos_in_ppm":7.87,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000582","Blood":true,"Urine":true,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Glutarylglycine","pos_in_ppm":2.2,"couple_code":"2","J_constant":"7.54","relative_intensity":2,"Accession":"HMDB0000590","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glutarylglycine","pos_in_ppm":3.74,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000590","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":3.27,"couple_code":"1,1","J_constant":"10.59,3.60","relative_intensity":1,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":3.66,"couple_code":"1,1","J_constant":"10.48,9.00","relative_intensity":1,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":3.71,"couple_code":"1,1,1","J_constant":"5.20,2.12","relative_intensity":1,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":3.88,"couple_code":"1,1","J_constant":"10.48,9.27","relative_intensity":1,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":4.08,"couple_code":"1,2","J_constant":"10.10,3.37","relative_intensity":1,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":4.22,"couple_code":"1,1","J_constant":"11.25,5.20","relative_intensity":1,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":4.27,"couple_code":"1","J_constant":"3.74","relative_intensity":2,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":4.33,"couple_code":"1,1","J_constant":"11.25,2.12","relative_intensity":1,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":4.91,"couple_code":"1","J_constant":"8.47","relative_intensity":0,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Glucosamine 6-sulfate","pos_in_ppm":5.43,"couple_code":"1","J_constant":"3.63","relative_intensity":1,"Accession":"HMDB0000592","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"DL-Dopa","pos_in_ppm":2.98,"couple_code":"1,1","J_constant":"14.69,7.87","relative_intensity":1,"Accession":"HMDB0000609","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"DL-Dopa","pos_in_ppm":3.14,"couple_code":"1,1","J_constant":"14.69,5.06","relative_intensity":2,"Accession":"HMDB0000609","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"DL-Dopa","pos_in_ppm":3.92,"couple_code":"1,1","J_constant":"7.84,5.03","relative_intensity":1,"Accession":"HMDB0000609","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"DL-Dopa","pos_in_ppm":6.72,"couple_code":"1,1","J_constant":"8.09,2.09","relative_intensity":1,"Accession":"HMDB0000609","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"DL-Dopa","pos_in_ppm":6.81,"couple_code":"1","J_constant":"2.09","relative_intensity":1,"Accession":"HMDB0000609","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"DL-Dopa","pos_in_ppm":6.89,"couple_code":"1","J_constant":"8.09","relative_intensity":1,"Accession":"HMDB0000609","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"2-Furoic acid","pos_in_ppm":6.548,"couple_code":"1,1","J_constant":"3.43,1.78","relative_intensity":1,"Accession":"HMDB0000617","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"2-Furoic acid","pos_in_ppm":6.994,"couple_code":"1,1","J_constant":"3.43,0.79","relative_intensity":1,"Accession":"HMDB0000617","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"2-Furoic acid","pos_in_ppm":7.591,"couple_code":"1,1","J_constant":"1.74,0.80","relative_intensity":1,"Accession":"HMDB0000617","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"Glutaconic acid","pos_in_ppm":3.073,"couple_code":"1,1","J_constant":"7.33,1.51","relative_intensity":2,"Accession":"HMDB0000620","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Glutaconic acid","pos_in_ppm":5.858,"couple_code":"1,2","J_constant":"15.56,1.49","relative_intensity":1,"Accession":"HMDB0000620","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Glutaconic acid","pos_in_ppm":6.651,"couple_code":"1,2","J_constant":"15.58,7.32","relative_intensity":1,"Accession":"HMDB0000620","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Ethylmalonic acid","pos_in_ppm":0.889,"couple_code":"2","J_constant":"7.43","relative_intensity":3,"Accession":"HMDB0000622","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Ethylmalonic acid","pos_in_ppm":3.023,"couple_code":"2","J_constant":"7.58","relative_intensity":1,"Accession":"HMDB0000622","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Dodecanedioic acid","pos_in_ppm":2.37,"couple_code":"2","J_constant":"7.27","relative_intensity":4,"Accession":"HMDB0000623","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Gluconic acid","pos_in_ppm":4.027,"couple_code":"2","J_constant":"2.63","relative_intensity":1,"Accession":"HMDB0000625","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Isocaproic acid","pos_in_ppm":1.54,"couple_code":"3","J_constant":"7.31","relative_intensity":2,"Accession":"HMDB0000689","Blood":false,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Malonic acid","pos_in_ppm":3.11,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000691","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Heparan sulfate","pos_in_ppm":3.82,"couple_code":"0","relative_intensity":8,"Accession":"HMDB0000693","Blood":true,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Ketoleucine","pos_in_ppm":0.93,"couple_code":"1","J_constant":"6.68","relative_intensity":5,"Accession":"HMDB0000695","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"3.00"}
{"Metabolite":"Ketoleucine","pos_in_ppm":2.65,"couple_code":"1","J_constant":"7.00","relative_intensity":2,"Accession":"HMDB0000695","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"3.00"}
{"Metabolite":"L-Methionine","pos_in_ppm":2.631,"couple_code":"2","J_constant":"7.587","relative_intensity":13,"Accession":"HMDB0000696","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"L-Methionine","pos_in_ppm":3.851,"couple_code":"1,1","J_constant":"7.100,5.382","relative_intensity":6,"Accession":"HMDB0000696","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"1-Methylnicotinamide","pos_in_ppm":4.475,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000699","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1-Methylnicotinamide","pos_in_ppm":8.179,"couple_code":"2","J_constant":"7.10","relative_intensity":1,"Accession":"HMDB0000699","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1-Methylnicotinamide","pos_in_ppm":8.892,"couple_code":"1","J_constant":"8.20","relative_intensity":1,"Accession":"HMDB0000699","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1-Methylnicotinamide","pos_in_ppm":8.965,"couple_code":"1","J_constant":"6.14","relative_intensity":1,"Accession":"HMDB0000699","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1-Methylnicotinamide","pos_in_ppm":9.277,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000699","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hexanoylglycine","pos_in_ppm":4.1,"couple_code":"1","J_constant":"5.22","relative_intensity":16,"Accession":"HMDB0000701","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Hexanoylglycine","pos_in_ppm":2.26,"couple_code":"2","J_constant":"7.64","relative_intensity":16,"Accession":"HMDB0000701","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Hexanoylglycine","pos_in_ppm":1.66,"couple_code":"1,3","J_constant":"7.47","relative_intensity":14,"Accession":"HMDB0000701","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Mandelic acid","pos_in_ppm":4.98,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000703","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Mandelic acid","pos_in_ppm":7.42,"couple_code":"1","J_constant":"4.21","relative_intensity":32,"Accession":"HMDB0000703","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Isoxanthopterin","pos_in_ppm":7.52,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000704","Blood":false,"Urine":true,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hexanoylcarnitine","pos_in_ppm":0.86,"couple_code":"2","J_constant":"6.93","relative_intensity":1,"Accession":"HMDB0000705","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Hexanoylcarnitine","pos_in_ppm":3.85,"couple_code":"1,1","J_constant":"14.46,8.69","relative_intensity":1,"Accession":"HMDB0000705","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Hexanoylcarnitine","pos_in_ppm":2.42,"couple_code":"1,2","J_constant":"7.47,3.09","relative_intensity":1,"Accession":"HMDB0000705","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Hexanoylcarnitine","pos_in_ppm":2.5,"couple_code":"1,1","J_constant":"15.60,7.78","relative_intensity":1,"Accession":"HMDB0000705","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Hexanoylcarnitine","pos_in_ppm":2.63,"couple_code":"1,1","J_constant":"15.60,5.44","relative_intensity":1,"Accession":"HMDB0000705","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Hexanoylcarnitine","pos_in_ppm":3.61,"couple_code":"1","J_constant":"14.46","relative_intensity":1,"Accession":"HMDB0000705","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Hexanoylcarnitine","pos_in_ppm":3.18,"couple_code":"0","relative_intensity":5,"Accession":"HMDB0000705","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Aspartylphenylalanine","pos_in_ppm":2.22,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000706","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Aspartylphenylalanine","pos_in_ppm":3.1,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000706","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Aspartylphenylalanine","pos_in_ppm":7.31,"couple_code":"1","J_constant":"7.11","relative_intensity":3,"Accession":"HMDB0000706","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"4-Hydroxyphenylpyruvic acid","pos_in_ppm":4.01,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000707","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Hydroxyoctanoic acid","pos_in_ppm":4.01,"couple_code":"1,1","J_constant":"7.25,4.28","relative_intensity":1,"Accession":"HMDB0000711","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Hippuric acid","pos_in_ppm":3.96,"couple_code":"1","J_constant":"5.84","relative_intensity":2,"Accession":"HMDB0000714","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hippuric acid","pos_in_ppm":7.62,"couple_code":"2,2","J_constant":"7.47,1.52","relative_intensity":1,"Accession":"HMDB0000714","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hippuric acid","pos_in_ppm":7.82,"couple_code":"1,1","J_constant":"8.41,1.24","relative_intensity":2,"Accession":"HMDB0000714","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Kynurenic acid","pos_in_ppm":6.668,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000715","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Kynurenic acid","pos_in_ppm":7.349,"couple_code":"1,1,1","J_constant":"8.13,7.06,0.95","relative_intensity":1,"Accession":"HMDB0000715","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Kynurenic acid","pos_in_ppm":7.539,"couple_code":"1","J_constant":"8.40","relative_intensity":1,"Accession":"HMDB0000715","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Kynurenic acid","pos_in_ppm":7.629,"couple_code":"1,1,1","J_constant":"8.45,6.94,1.37","relative_intensity":1,"Accession":"HMDB0000715","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Kynurenic acid","pos_in_ppm":7.916,"couple_code":"1,1","J_constant":"8.29,0.92","relative_intensity":1,"Accession":"HMDB0000715","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"L-Pipecolic acid","pos_in_ppm":2.99,"couple_code":"2,1","J_constant":"12.48,3.22","relative_intensity":1,"Accession":"HMDB0000716","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"L-Pipecolic acid","pos_in_ppm":3.57,"couple_code":"1,1","J_constant":"11.66,3.52","relative_intensity":1,"Accession":"HMDB0000716","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Isovaleric acid","pos_in_ppm":0.9,"couple_code":"1","J_constant":"6.61","relative_intensity":6,"Accession":"HMDB0000718","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Isovaleric acid","pos_in_ppm":1.94,"couple_code":"1,3","J_constant":"7.87,6.66","relative_intensity":1,"Accession":"HMDB0000718","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Isovaleric acid","pos_in_ppm":2.05,"couple_code":"1","J_constant":"0.53","relative_intensity":2,"Accession":"HMDB0000718","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"L-Homoserine","pos_in_ppm":3.85,"couple_code":"1,1","J_constant":"7.56,4.81","relative_intensity":1,"Accession":"HMDB0000719","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Levulinic acid","pos_in_ppm":2.212,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000720","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Levulinic acid","pos_in_ppm":2.392,"couple_code":"2","J_constant":"6.80","relative_intensity":2,"Accession":"HMDB0000720","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Levulinic acid","pos_in_ppm":2.766,"couple_code":"2","J_constant":"6.78","relative_intensity":2,"Accession":"HMDB0000720","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Glycylproline","pos_in_ppm":1.97,"couple_code":"1","J_constant":"0.16","relative_intensity":1,"Accession":"HMDB0000721","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Glycylproline","pos_in_ppm":1.99,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000721","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Glycylproline","pos_in_ppm":3.94,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000721","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"4-Hydroxyproline","pos_in_ppm":2.14,"couple_code":"1,1,1","J_constant":"14.06,10.07,4.21","relative_intensity":2,"Accession":"HMDB0000725","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"4-Hydroxyproline","pos_in_ppm":3.36,"couple_code":"1,1,1","J_constant":"12.59,1.97,1.42","relative_intensity":2,"Accession":"HMDB0000725","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"4-Hydroxyproline","pos_in_ppm":3.46,"couple_code":"1,1","J_constant":"12.64,3.87","relative_intensity":2,"Accession":"HMDB0000725","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"4-Hydroxyproline","pos_in_ppm":4.33,"couple_code":"1","J_constant":"7.97","relative_intensity":1,"Accession":"HMDB0000725","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"4-Hydroxyproline","pos_in_ppm":4.35,"couple_code":"1","J_constant":"7.97","relative_intensity":1,"Accession":"HMDB0000725","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Isovalerylglutamic acid","pos_in_ppm":2.32,"couple_code":"2","J_constant":"7.85","relative_intensity":2,"Accession":"HMDB0000726","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"6.00"}
{"Metabolite":"Isovalerylglutamic acid","pos_in_ppm":2.16,"couple_code":"1,1","J_constant":"7.41,2.97","relative_intensity":2,"Accession":"HMDB0000726","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"6.00"}
{"Metabolite":"Isovalerylglutamic acid","pos_in_ppm":0.93,"couple_code":"2","J_constant":"7.14","relative_intensity":7,"Accession":"HMDB0000726","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"6.00"}
{"Metabolite":"Alpha-Hydroxyisobutyric acid","pos_in_ppm":1.34,"couple_code":"0","relative_intensity":6,"Accession":"HMDB0000729","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Isobutyrylglycine","pos_in_ppm":4.1,"couple_code":"1","J_constant":"5.12","relative_intensity":17,"Accession":"HMDB0000730","Blood":false,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Isobutyrylglycine","pos_in_ppm":2.48,"couple_code":"3,3","J_constant":"6.91","relative_intensity":7,"Accession":"HMDB0000730","Blood":false,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Isobutyrylglycine","pos_in_ppm":1.21,"couple_code":"1","J_constant":"6.91","relative_intensity":44,"Accession":"HMDB0000730","Blood":false,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Cysteine-S-sulfate","pos_in_ppm":3.5,"couple_code":"1,1","J_constant":"15.41,7.87","relative_intensity":1,"Accession":"HMDB0000731","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Cysteine-S-sulfate","pos_in_ppm":3.67,"couple_code":"1,1","J_constant":"15.41,3.74","relative_intensity":1,"Accession":"HMDB0000731","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Cysteine-S-sulfate","pos_in_ppm":4.18,"couple_code":"1,1","J_constant":"7.92,3.74","relative_intensity":1,"Accession":"HMDB0000731","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxykynurenine","pos_in_ppm":3.69,"couple_code":"1","J_constant":"5.50","relative_intensity":2,"Accession":"HMDB0000732","Blood":true,"Urine":true,"Solvent":"5%_DMSO","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hyodeoxycholic acid","pos_in_ppm":0.69,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000733","Blood":true,"Urine":true,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hyodeoxycholic acid","pos_in_ppm":0.92,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000733","Blood":true,"Urine":true,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hyodeoxycholic acid","pos_in_ppm":0.95,"couple_code":"1","J_constant":"6.55","relative_intensity":3,"Accession":"HMDB0000733","Blood":true,"Urine":true,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hyodeoxycholic acid","pos_in_ppm":3.53,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000733","Blood":true,"Urine":true,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Indoleacrylic acid","pos_in_ppm":7.64,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000734","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxyphenylacetylglycine","pos_in_ppm":3.58,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000735","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"5.00"}
{"Metabolite":"Hydroxyphenylacetylglycine","pos_in_ppm":3.83,"couple_code":"1","J_constant":"5.86","relative_intensity":1,"Accession":"HMDB0000735","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"5.00"}
{"Metabolite":"Hydroxyphenylacetylglycine","pos_in_ppm":6.88,"couple_code":"1","J_constant":"8.46","relative_intensity":1,"Accession":"HMDB0000735","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"5.00"}
{"Metabolite":"Hydroxyphenylacetylglycine","pos_in_ppm":7.21,"couple_code":"1","J_constant":"8.42","relative_intensity":1,"Accession":"HMDB0000735","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"5.00"}
{"Metabolite":"Isobutyryl-L-carnitine","pos_in_ppm":3.88,"couple_code":"1,1","J_constant":"14.53,8.67","relative_intensity":3,"Accession":"HMDB0000736","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Isobutyryl-L-carnitine","pos_in_ppm":3.62,"couple_code":"1","J_constant":"14.82","relative_intensity":3,"Accession":"HMDB0000736","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Isobutyryl-L-carnitine","pos_in_ppm":3.18,"couple_code":"0","relative_intensity":34,"Accession":"HMDB0000736","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Isobutyryl-L-carnitine","pos_in_ppm":2.59,"couple_code":"1","J_constant":"5.81","relative_intensity":3,"Accession":"HMDB0000736","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Isobutyryl-L-carnitine","pos_in_ppm":1.15,"couple_code":"1","J_constant":"3.98","relative_intensity":16,"Accession":"HMDB0000736","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Isobutyryl-L-carnitine","pos_in_ppm":1.13,"couple_code":"1","J_constant":"3.98","relative_intensity":13,"Accession":"HMDB0000736","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole","pos_in_ppm":6.59,"couple_code":"1","J_constant":"2.75","relative_intensity":1,"Accession":"HMDB0000738","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole","pos_in_ppm":7.14,"couple_code":"1,2","J_constant":"7.50,0.61","relative_intensity":1,"Accession":"HMDB0000738","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole","pos_in_ppm":7.24,"couple_code":"1,2","J_constant":"7.54,0.80","relative_intensity":1,"Accession":"HMDB0000738","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole","pos_in_ppm":7.4,"couple_code":"1","J_constant":"2.75","relative_intensity":1,"Accession":"HMDB0000738","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole","pos_in_ppm":7.54,"couple_code":"1","J_constant":"8.19","relative_intensity":1,"Accession":"HMDB0000738","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole","pos_in_ppm":7.7,"couple_code":"1","J_constant":"7.89","relative_intensity":1,"Accession":"HMDB0000738","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"N-Butyrylglycine","pos_in_ppm":1.61,"couple_code":"2,3","J_constant":"7.38","relative_intensity":1,"Accession":"HMDB0000808","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"N-Butyrylglycine","pos_in_ppm":3.94,"couple_code":"1","J_constant":"5.72","relative_intensity":1,"Accession":"HMDB0000808","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"N-Acetyl-L-aspartic acid","pos_in_ppm":4.4,"couple_code":"1,1,1","J_constant":"9.97,7.66,3.79","relative_intensity":6,"Accession":"HMDB0000812","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetyl-L-aspartic acid","pos_in_ppm":2.7,"couple_code":"1,1","J_constant":"15.66,3.79","relative_intensity":6,"Accession":"HMDB0000812","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetyl-L-aspartic acid","pos_in_ppm":2.51,"couple_code":"1,1","J_constant":"15.68,9.97","relative_intensity":6,"Accession":"HMDB0000812","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetyl-L-aspartic acid","pos_in_ppm":2.03,"couple_code":"0","relative_intensity":17,"Accession":"HMDB0000812","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Normetanephrine","pos_in_ppm":7.08,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000819","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Normetanephrine","pos_in_ppm":6.95,"couple_code":"1","J_constant":"1.51","relative_intensity":3,"Accession":"HMDB0000819","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Normetanephrine","pos_in_ppm":3.89,"couple_code":"0","relative_intensity":4,"Accession":"HMDB0000819","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Propyl alcohol","pos_in_ppm":3.55,"couple_code":"2","J_constant":"6.63","relative_intensity":1,"Accession":"HMDB0000820","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Propyl alcohol","pos_in_ppm":0.88,"couple_code":"2","J_constant":"7.46","relative_intensity":2,"Accession":"HMDB0000820","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Phenylacetylglycine","pos_in_ppm":3.665,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000821","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Phenylacetylglycine","pos_in_ppm":3.744,"couple_code":"1","J_constant":"5.81","relative_intensity":2,"Accession":"HMDB0000821","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Phenylacetylglycine","pos_in_ppm":7.412,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000821","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Pentadecanoic acid","pos_in_ppm":0.89,"couple_code":"2","J_constant":"7.00","relative_intensity":3,"Accession":"HMDB0000826","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Pentadecanoic acid","pos_in_ppm":1.63,"couple_code":"2,1","J_constant":"14.80,7.50","relative_intensity":2,"Accession":"HMDB0000826","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Pentadecanoic acid","pos_in_ppm":2.36,"couple_code":"2","J_constant":"7.54","relative_intensity":2,"Accession":"HMDB0000826","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Stearic acid","pos_in_ppm":2.48,"couple_code":"2","J_constant":"7.53","relative_intensity":7,"Accession":"HMDB0000827","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Stearic acid","pos_in_ppm":1.77,"couple_code":"2,2","J_constant":"7.50,7.35","relative_intensity":6,"Accession":"HMDB0000827","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Stearic acid","pos_in_ppm":1.01,"couple_code":"2","J_constant":"6.91","relative_intensity":8,"Accession":"HMDB0000827","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Ureidosuccinic acid","pos_in_ppm":2.44,"couple_code":"1","J_constant":"9.68","relative_intensity":0,"Accession":"HMDB0000828","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Ureidosuccinic acid","pos_in_ppm":2.46,"couple_code":"1","J_constant":"9.63","relative_intensity":0,"Accession":"HMDB0000828","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Ureidosuccinic acid","pos_in_ppm":2.65,"couple_code":"1","J_constant":"3.85","relative_intensity":0,"Accession":"HMDB0000828","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Ureidosuccinic acid","pos_in_ppm":2.67,"couple_code":"1","J_constant":"3.85","relative_intensity":1,"Accession":"HMDB0000828","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Ureidosuccinic acid","pos_in_ppm":4.22,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000828","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Capryloylglycine","pos_in_ppm":3.74,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000832","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Salicyluric acid","pos_in_ppm":3.96,"couple_code":"1","J_constant":"5.44","relative_intensity":2,"Accession":"HMDB0000840","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Salicyluric acid","pos_in_ppm":7.01,"couple_code":"1,1","J_constant":"7.48,7.14","relative_intensity":2,"Accession":"HMDB0000840","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Salicyluric acid","pos_in_ppm":7.48,"couple_code":"1,1,1","J_constant":"8.42,7.15,1.67","relative_intensity":1,"Accession":"HMDB0000840","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Salicyluric acid","pos_in_ppm":7.78,"couple_code":"1,1","J_constant":"7.93,1.54","relative_intensity":1,"Accession":"HMDB0000840","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"Quinaldic acid","pos_in_ppm":7.849,"couple_code":"1,1,1","J_constant":"8.46,6.98,1.39","relative_intensity":1,"Accession":"HMDB0000842","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Quinaldic acid","pos_in_ppm":7.955,"couple_code":"1","J_constant":"8.48","relative_intensity":1,"Accession":"HMDB0000842","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Quinaldic acid","pos_in_ppm":7.998,"couple_code":"1","J_constant":"8.20","relative_intensity":1,"Accession":"HMDB0000842","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Quinaldic acid","pos_in_ppm":8.105,"couple_code":"1","J_constant":"8.51","relative_intensity":1,"Accession":"HMDB0000842","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Quinaldic acid","pos_in_ppm":8.443,"couple_code":"1","J_constant":"8.48","relative_intensity":1,"Accession":"HMDB0000842","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Neopterin","pos_in_ppm":3.84,"couple_code":"1,1","J_constant":"11.94,3.63","relative_intensity":1,"Accession":"HMDB0000845","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"10.30"}
{"Metabolite":"Neopterin","pos_in_ppm":4.13,"couple_code":"2,1","J_constant":"6.68,3.63","relative_intensity":1,"Accession":"HMDB0000845","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"10.30"}
{"Metabolite":"Neopterin","pos_in_ppm":8.66,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000845","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"10.30"}
{"Metabolite":"Pelargonic acid","pos_in_ppm":0.85,"couple_code":"1","J_constant":"14.00","relative_intensity":1,"Accession":"HMDB0000847","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Pelargonic acid","pos_in_ppm":1.28,"couple_code":"0","relative_intensity":10,"Accession":"HMDB0000847","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Pelargonic acid","pos_in_ppm":1.53,"couple_code":"2","J_constant":"7.27","relative_intensity":1,"Accession":"HMDB0000847","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Pelargonic acid","pos_in_ppm":2.16,"couple_code":"2","J_constant":"7.49","relative_intensity":2,"Accession":"HMDB0000847","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Stearoylcarnitine","pos_in_ppm":1.26,"couple_code":"0","relative_intensity":26,"Accession":"HMDB0000848","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Stearoylcarnitine","pos_in_ppm":3.25,"couple_code":"0","relative_intensity":9,"Accession":"HMDB0000848","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Rhamnose","pos_in_ppm":3.429,"couple_code":"2","J_constant":"9.70","relative_intensity":2,"Accession":"HMDB0000849","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"Rhamnose","pos_in_ppm":3.592,"couple_code":"1,1","J_constant":"9.32,3.31","relative_intensity":1,"Accession":"HMDB0000849","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"Rhamnose","pos_in_ppm":3.791,"couple_code":"1,1","J_constant":"9.73,3.42","relative_intensity":1,"Accession":"HMDB0000849","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"Rhamnose","pos_in_ppm":3.85,"couple_code":"1,3","J_constant":"9.54,6.24","relative_intensity":1,"Accession":"HMDB0000849","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"Rhamnose","pos_in_ppm":5.104,"couple_code":"1","J_constant":"1.71","relative_intensity":1,"Accession":"HMDB0000849","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
{"Metabolite":"Beta-Sitosterol","pos_in_ppm":0.68,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000852","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Beta-Sitosterol","pos_in_ppm":1.01,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000852","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Monomethyl glutaric acid","pos_in_ppm":3.69,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000858","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Monomethyl glutaric acid","pos_in_ppm":2.4,"couple_code":"2","J_constant":"7.51","relative_intensity":2,"Accession":"HMDB0000858","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Monomethyl glutaric acid","pos_in_ppm":2.19,"couple_code":"3","J_constant":"7.63","relative_intensity":2,"Accession":"HMDB0000858","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Monomethyl glutaric acid","pos_in_ppm":1.83,"couple_code":"2,2","J_constant":"7.50","relative_intensity":2,"Accession":"HMDB0000858","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Methyl hippurate","pos_in_ppm":3.75,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000859","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Methyl hippurate","pos_in_ppm":4.12,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000859","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Methyl hippurate","pos_in_ppm":7.85,"couple_code":"1,1","J_constant":"8.45,1.29","relative_intensity":2,"Accession":"HMDB0000859","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Phenylpropionylglycine","pos_in_ppm":4.05,"couple_code":"1","J_constant":"5.12","relative_intensity":12,"Accession":"HMDB0000860","Blood":false,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Phenylpropionylglycine","pos_in_ppm":2.98,"couple_code":"2","J_constant":"7.73","relative_intensity":14,"Accession":"HMDB0000860","Blood":false,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Phenylpropionylglycine","pos_in_ppm":2.58,"couple_code":"2","J_constant":"7.78","relative_intensity":13,"Accession":"HMDB0000860","Blood":false,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
{"Metabolite":"Isopropyl alcohol","pos_in_ppm":1.162,"couple_code":"1","J_constant":"6.222","relative_intensity":79,"Accession":"HMDB0000863","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.2"}
{"Metabolite":"N-Acetyl-L-tyrosine","pos_in_ppm":7.72,"couple_code":"1","J_constant":"7.91","relative_intensity":7,"Accession":"HMDB0000866","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetyl-L-tyrosine","pos_in_ppm":7.15,"couple_code":"1","J_constant":"8.46","relative_intensity":19,"Accession":"HMDB0000866","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetyl-L-tyrosine","pos_in_ppm":6.85,"couple_code":"1","J_constant":"8.46","relative_intensity":19,"Accession":"HMDB0000866","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetyl-L-tyrosine","pos_in_ppm":3.1,"couple_code":"1,1","J_constant":"14.06,4.83","relative_intensity":6,"Accession":"HMDB0000866","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetyl-L-tyrosine","pos_in_ppm":2.84,"couple_code":"1,1","J_constant":"14.06,8.68","relative_intensity":6,"Accession":"HMDB0000866","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetyl-L-tyrosine","pos_in_ppm":1.93,"couple_code":"0","relative_intensity":18,"Accession":"HMDB0000866","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Histamine","pos_in_ppm":3.29,"couple_code":"2","J_constant":"7.11","relative_intensity":2,"Accession":"HMDB0000870","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Histamine","pos_in_ppm":7.14,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000870","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Histamine","pos_in_ppm":7.99,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000870","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"5alpha-Cholestanone","pos_in_ppm":0.69,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0000871","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"5alpha-Cholestanone","pos_in_ppm":0.91,"couple_code":"1","J_constant":"6.50","relative_intensity":3,"Accession":"HMDB0000871","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"5alpha-Cholestanone","pos_in_ppm":1.01,"couple_code":"0","relative_intensity":4,"Accession":"HMDB0000871","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"5alpha-Cholestanone","pos_in_ppm":1.7,"couple_code":"1,1","J_constant":"13.07,3.10","relative_intensity":1,"Accession":"HMDB0000871","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Trigonelline","pos_in_ppm":4.428,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0000875","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Trigonelline","pos_in_ppm":9.114,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0000875","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Vitamin D3","pos_in_ppm":6.24,"couple_code":"1","J_constant":"11.22","relative_intensity":1,"Accession":"HMDB0000876","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Vitamin D3","pos_in_ppm":6.03,"couple_code":"1","J_constant":"11.17","relative_intensity":1,"Accession":"HMDB0000876","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Vitamin D3","pos_in_ppm":2.57,"couple_code":"1,1","J_constant":"12.96,2.72","relative_intensity":1,"Accession":"HMDB0000876","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Vitamin D3","pos_in_ppm":2.29,"couple_code":"1,1","J_constant":"13.01,7.51","relative_intensity":1,"Accession":"HMDB0000876","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Vitamin D3","pos_in_ppm":1.01,"couple_code":"3","J_constant":"9.02","relative_intensity":1,"Accession":"HMDB0000876","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Vitamin D3","pos_in_ppm":0.92,"couple_code":"1","J_constant":"6.38","relative_intensity":2,"Accession":"HMDB0000876","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
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{"Metabolite":"Ethenodeoxyadenosine","pos_in_ppm":7.5,"couple_code":"1","J_constant":"1.60","relative_intensity":1,"Accession":"HMDB0001786","Blood":false,"Urine":false,"Solvent":"5%_DMSO","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Progesterone","pos_in_ppm":0.68,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0001830","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"Not Applic"}
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{"Metabolite":"Methylsuccinic acid","pos_in_ppm":2.514,"couple_code":"1,1","J_constant":"14.30,5.24","relative_intensity":1,"Accession":"HMDB0001844","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.02"}
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{"Metabolite":"m-Cresol","pos_in_ppm":6.77,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002048","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"m-Cresol","pos_in_ppm":7.2,"couple_code":"2","J_constant":"7.81","relative_intensity":1,"Accession":"HMDB0002048","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"o-Cresol","pos_in_ppm":2.2,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002055","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"N-Acetylputrescine","pos_in_ppm":1.98,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002064","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetylputrescine","pos_in_ppm":3.2,"couple_code":"2","J_constant":"6.78","relative_intensity":1,"Accession":"HMDB0002064","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"Erucic acid","pos_in_ppm":2.03,"couple_code":"3","J_constant":"6.47","relative_intensity":4,"Accession":"HMDB0002068","Blood":true,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Erucic acid","pos_in_ppm":2.27,"couple_code":"2","J_constant":"7.43","relative_intensity":2,"Accession":"HMDB0002068","Blood":true,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"4-Methoxyphenylacetic acid","pos_in_ppm":3.6,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002072","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"4-Methoxyphenylacetic acid","pos_in_ppm":6.88,"couple_code":"1","J_constant":"8.51","relative_intensity":2,"Accession":"HMDB0002072","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"4-Methoxyphenylacetic acid","pos_in_ppm":7.21,"couple_code":"1","J_constant":"8.44","relative_intensity":2,"Accession":"HMDB0002072","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"2,2-Dimethylsuccinic acid","pos_in_ppm":1.25,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0002074","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"2,2-Dimethylsuccinic acid","pos_in_ppm":2.66,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002074","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Syringic acid","pos_in_ppm":3.84,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0002085","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Syringic acid","pos_in_ppm":7.13,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002085","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Itaconic acid","pos_in_ppm":6.33,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002092","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Itaconic acid","pos_in_ppm":5.85,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002092","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Itaconic acid","pos_in_ppm":3.4,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002092","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"6-Methyladenine","pos_in_ppm":2.95,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002099","Blood":false,"Urine":false,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"6-Methyladenine","pos_in_ppm":8.06,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002099","Blood":false,"Urine":false,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"6-Methyladenine","pos_in_ppm":8.19,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002099","Blood":false,"Urine":false,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1,3,7-Trimethyluric acid","pos_in_ppm":3.22,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002123","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1,3,7-Trimethyluric acid","pos_in_ppm":3.34,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002123","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1,3,7-Trimethyluric acid","pos_in_ppm":3.39,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002123","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"N-Methyl-a-aminoisobutyric acid","pos_in_ppm":1.59,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002141","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Methyl-a-aminoisobutyric acid","pos_in_ppm":3.84,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002141","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"1,3-Dimethyluracil","pos_in_ppm":3.28,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002144","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1,3-Dimethyluracil","pos_in_ppm":3.4,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002144","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1,3-Dimethyluracil","pos_in_ppm":5.86,"couple_code":"1","J_constant":"7.81","relative_intensity":1,"Accession":"HMDB0002144","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"1,3-Dimethyluracil","pos_in_ppm":7.59,"couple_code":"1","J_constant":"7.76","relative_intensity":1,"Accession":"HMDB0002144","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Ethylmethylacetic acid","pos_in_ppm":1.07,"couple_code":"1","J_constant":"6.96","relative_intensity":4,"Accession":"HMDB0002176","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Ethylmethylacetic acid","pos_in_ppm":0.86,"couple_code":"2","J_constant":"7.44","relative_intensity":4,"Accession":"HMDB0002176","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Phenylephrine","pos_in_ppm":7.34,"couple_code":"2","J_constant":"7.85","relative_intensity":1,"Accession":"HMDB0002182","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Phenylephrine","pos_in_ppm":6.98,"couple_code":"1","J_constant":"7.50","relative_intensity":1,"Accession":"HMDB0002182","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Phenylephrine","pos_in_ppm":6.9,"couple_code":"1,1","J_constant":"8.08,1.81","relative_intensity":1,"Accession":"HMDB0002182","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Phenylephrine","pos_in_ppm":6.93,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002182","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Phenylephrine","pos_in_ppm":2.77,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002182","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"L-Homocysteic acid","pos_in_ppm":3.96,"couple_code":"2","J_constant":"6.29","relative_intensity":3,"Accession":"HMDB0002205","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Arachidic acid","pos_in_ppm":2.34,"couple_code":"2","J_constant":"7.53","relative_intensity":5,"Accession":"HMDB0002212","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Arachidic acid","pos_in_ppm":0.88,"couple_code":"2","J_constant":"6.91","relative_intensity":7,"Accession":"HMDB0002212","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"3-Methylphenylacetic acid","pos_in_ppm":2.31,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002222","Blood":false,"Urine":false,"Solvent":"5%_DMSO","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"3-Methylphenylacetic acid","pos_in_ppm":3.47,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0002222","Blood":false,"Urine":false,"Solvent":"5%_DMSO","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"3-Methylphenylacetic acid","pos_in_ppm":7.08,"couple_code":"1","J_constant":"7.43","relative_intensity":1,"Accession":"HMDB0002222","Blood":false,"Urine":false,"Solvent":"5%_DMSO","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"3-Methylphenylacetic acid","pos_in_ppm":7.25,"couple_code":"2","J_constant":"7.46","relative_intensity":1,"Accession":"HMDB0002222","Blood":false,"Urine":false,"Solvent":"5%_DMSO","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Picolinic acid","pos_in_ppm":7.53,"couple_code":"1,1,1","J_constant":"7.50,4.94,1.32","relative_intensity":1,"Accession":"HMDB0002243","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Picolinic acid","pos_in_ppm":7.95,"couple_code":"2,1","J_constant":"7.59,1.71","relative_intensity":1,"Accession":"HMDB0002243","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Picolinic acid","pos_in_ppm":8.55,"couple_code":"1","J_constant":"4.68","relative_intensity":1,"Accession":"HMDB0002243","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Heptadecanoic acid","pos_in_ppm":0.88,"couple_code":"2","J_constant":"7.04","relative_intensity":3,"Accession":"HMDB0002259","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Heptadecanoic acid","pos_in_ppm":2.35,"couple_code":"2","J_constant":"7.54","relative_intensity":2,"Accession":"HMDB0002259","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Indole-3-propionic acid","pos_in_ppm":7.49,"couple_code":"1","J_constant":"8.15","relative_intensity":11,"Accession":"HMDB0002302","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole-3-propionic acid","pos_in_ppm":7.2,"couple_code":"0","relative_intensity":11,"Accession":"HMDB0002302","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole-3-propionic acid","pos_in_ppm":7.16,"couple_code":"2","J_constant":"7.76","relative_intensity":12,"Accession":"HMDB0002302","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole-3-propionic acid","pos_in_ppm":7.24,"couple_code":"2","J_constant":"7.32","relative_intensity":12,"Accession":"HMDB0002302","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole-3-propionic acid","pos_in_ppm":7.71,"couple_code":"1","J_constant":"7.64","relative_intensity":12,"Accession":"HMDB0002302","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Indole-3-propionic acid","pos_in_ppm":3.03,"couple_code":"2","J_constant":"7.74","relative_intensity":19,"Accession":"HMDB0002302","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Dimethylsulfide","pos_in_ppm":2.11,"couple_code":"0","relative_intensity":4,"Accession":"HMDB0002303","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":0.49,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":1.27,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":1.29,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":1.43,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":1.49,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":1.91,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":2.24,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":2.62,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":2.81,"couple_code":"1,1","J_constant":"14.03,9.57","relative_intensity":1,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":4.05,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":4.31,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":4.62,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":6.16,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":6.17,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":6.6,"couple_code":"0","relative_intensity":0,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":6.72,"couple_code":"0","relative_intensity":0,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Hydroxycobalamin","pos_in_ppm":7.14,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002308","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Cadaverine","pos_in_ppm":1.49,"couple_code":"4","J_constant":"7.46","relative_intensity":4,"Accession":"HMDB0002322","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Cadaverine","pos_in_ppm":2.68,"couple_code":"2","J_constant":"7.21","relative_intensity":4,"Accession":"HMDB0002322","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptophan","pos_in_ppm":3.89,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002339","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptophan","pos_in_ppm":4.04,"couple_code":"1,1","J_constant":"7.95,4.92","relative_intensity":1,"Accession":"HMDB0002339","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptophan","pos_in_ppm":6.93,"couple_code":"1,1","J_constant":"8.80,2.48","relative_intensity":1,"Accession":"HMDB0002339","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptophan","pos_in_ppm":7.28,"couple_code":"1","J_constant":"2.48","relative_intensity":1,"Accession":"HMDB0002339","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptophan","pos_in_ppm":7.31,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002339","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptophan","pos_in_ppm":7.45,"couple_code":"1","J_constant":"8.80","relative_intensity":1,"Accession":"HMDB0002339","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Heneicosanoic acid","pos_in_ppm":0.88,"couple_code":"2","J_constant":"7.04","relative_intensity":3,"Accession":"HMDB0002345","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Heneicosanoic acid","pos_in_ppm":1.25,"couple_code":"0","relative_intensity":30,"Accession":"HMDB0002345","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Octadecanol","pos_in_ppm":1.2,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0002350","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Octadecanol","pos_in_ppm":1.26,"couple_code":"0","relative_intensity":26,"Accession":"HMDB0002350","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Octadecanol","pos_in_ppm":1.29,"couple_code":"1","J_constant":"6.60","relative_intensity":4,"Accession":"HMDB0002350","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Octadecanol","pos_in_ppm":3.64,"couple_code":"2","J_constant":"6.38","relative_intensity":2,"Accession":"HMDB0002350","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Hexacosanoic acid","pos_in_ppm":2.28,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0002356","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Oleanolic acid","pos_in_ppm":0.87,"couple_code":"2","J_constant":"12.63","relative_intensity":13,"Accession":"HMDB0002364","Blood":true,"Urine":false,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Oleanolic acid","pos_in_ppm":5.16,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002364","Blood":true,"Urine":false,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Uvaol","pos_in_ppm":5.06,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002391","Blood":false,"Urine":false,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Galacturonic acid","pos_in_ppm":4.28,"couple_code":"1,1","J_constant":"3.38,1.35","relative_intensity":7,"Accession":"HMDB0002545","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"1,5-Anhydrosorbitol","pos_in_ppm":3.87,"couple_code":"1","J_constant":"12.17","relative_intensity":1,"Accession":"HMDB0002712","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"Danazol","pos_in_ppm":5.31,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002835","Blood":false,"Urine":false,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Danazol","pos_in_ppm":8.33,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0002835","Blood":false,"Urine":false,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Deacetyldiltiazem","pos_in_ppm":3.531,"couple_code":"1,1,1","J_constant":"12.95,9.56,5.71","relative_intensity":1,"Accession":"HMDB0002873","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Deacetyldiltiazem","pos_in_ppm":3.869,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0002873","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Deacetyldiltiazem","pos_in_ppm":7.045,"couple_code":"1","J_constant":"8.79","relative_intensity":2,"Accession":"HMDB0002873","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Deacetyldiltiazem","pos_in_ppm":7.686,"couple_code":"2,1","J_constant":"7.57,1.47","relative_intensity":1,"Accession":"HMDB0002873","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Deacetyldiltiazem","pos_in_ppm":7.834,"couple_code":"1,1","J_constant":"7.72,1.38","relative_intensity":1,"Accession":"HMDB0002873","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Ellagic acid","pos_in_ppm":7.46,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0002899","Blood":true,"Urine":true,"Solvent":"100%_DMSO","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Sedoheptulose","pos_in_ppm":3.99,"couple_code":"1,1","J_constant":"4.28,2.45","relative_intensity":1,"Accession":"HMDB0003219","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"Stachyose","pos_in_ppm":3.52,"couple_code":"2","J_constant":"9.63","relative_intensity":1,"Accession":"HMDB0003553","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Stachyose","pos_in_ppm":3.56,"couple_code":"1,1","J_constant":"10.01,3.85","relative_intensity":1,"Accession":"HMDB0003553","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Stachyose","pos_in_ppm":4.22,"couple_code":"1","J_constant":"8.80","relative_intensity":1,"Accession":"HMDB0003553","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Stachyose","pos_in_ppm":5.42,"couple_code":"1","J_constant":"3.80","relative_intensity":1,"Accession":"HMDB0003553","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Beta-Leucine","pos_in_ppm":0.99,"couple_code":"1,1","J_constant":"9.08,6.88","relative_intensity":6,"Accession":"HMDB0003640","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Beta-Leucine","pos_in_ppm":2.4,"couple_code":"1,1","J_constant":"16.78,9.30","relative_intensity":1,"Accession":"HMDB0003640","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Beta-Leucine","pos_in_ppm":2.57,"couple_code":"1,1","J_constant":"16.78,4.29","relative_intensity":1,"Accession":"HMDB0003640","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"N-Methylhydantoin","pos_in_ppm":2.92,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0003646","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"N-Methylhydantoin","pos_in_ppm":4.08,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0003646","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"2-Heptanone","pos_in_ppm":0.85,"couple_code":"2","J_constant":"7.18","relative_intensity":3,"Accession":"HMDB0003671","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"2-Heptanone","pos_in_ppm":2.2,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0003671","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"2-Heptanone","pos_in_ppm":2.54,"couple_code":"2","J_constant":"7.40","relative_intensity":2,"Accession":"HMDB0003671","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Gamma-Caprolactone","pos_in_ppm":0.94,"couple_code":"2","J_constant":"7.46","relative_intensity":3,"Accession":"HMDB0003843","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Selenomethionine","pos_in_ppm":2.03,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0003966","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Selenomethionine","pos_in_ppm":3.82,"couple_code":"1,1","J_constant":"6.90,5.47","relative_intensity":1,"Accession":"HMDB0003966","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"L-Allothreonine","pos_in_ppm":1.2,"couple_code":"1","J_constant":"6.66","relative_intensity":3,"Accession":"HMDB0004041","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"L-Allothreonine","pos_in_ppm":3.83,"couple_code":"1","J_constant":"3.91","relative_intensity":1,"Accession":"HMDB0004041","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Alpha-Terpineol","pos_in_ppm":1.13,"couple_code":"1","J_constant":"7.92","relative_intensity":6,"Accession":"HMDB0004043","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Alpha-Terpineol","pos_in_ppm":1.17,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0004043","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Alpha-Terpineol","pos_in_ppm":5.36,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0004043","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Indoxyl","pos_in_ppm":7.3,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0004094","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptamine","pos_in_ppm":3.13,"couple_code":"2","J_constant":"7.07","relative_intensity":2,"Accession":"HMDB0004095","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptamine","pos_in_ppm":3.32,"couple_code":"2","J_constant":"7.07","relative_intensity":2,"Accession":"HMDB0004095","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptamine","pos_in_ppm":3.89,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0004095","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptamine","pos_in_ppm":6.94,"couple_code":"1,1","J_constant":"8.78,2.45","relative_intensity":1,"Accession":"HMDB0004095","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptamine","pos_in_ppm":7.22,"couple_code":"1","J_constant":"2.26","relative_intensity":1,"Accession":"HMDB0004095","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptamine","pos_in_ppm":7.32,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0004095","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Methoxytryptamine","pos_in_ppm":7.46,"couple_code":"1","J_constant":"8.86","relative_intensity":1,"Accession":"HMDB0004095","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Selenocystine","pos_in_ppm":3.46,"couple_code":"1,1","J_constant":"14.09,7.70","relative_intensity":2,"Accession":"HMDB0004122","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"1.20"}
{"Metabolite":"Selenocystine","pos_in_ppm":3.61,"couple_code":"1,1","J_constant":"14.09,4.62","relative_intensity":2,"Accession":"HMDB0004122","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"1.20"}
{"Metabolite":"Selenocystine","pos_in_ppm":4.43,"couple_code":"1,1","J_constant":"7.68,4.59","relative_intensity":2,"Accession":"HMDB0004122","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"1.20"}
{"Metabolite":"Pyrrole-2-carboxylic acid","pos_in_ppm":6.18,"couple_code":"1,1","J_constant":"3.69,2.53","relative_intensity":1,"Accession":"HMDB0004230","Blood":true,"Urine":true,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Acrylamide","pos_in_ppm":5.82,"couple_code":"1,1","J_constant":"10.18,1.16","relative_intensity":1,"Accession":"HMDB0004296","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"(+)-Limonene","pos_in_ppm":1.65,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0004321","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"(+)-Limonene","pos_in_ppm":1.73,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0004321","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"(+)-Limonene","pos_in_ppm":4.7,"couple_code":"0","relative_intensity":0,"Accession":"HMDB0004321","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"(+)-Limonene","pos_in_ppm":5.4,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0004321","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
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{"Metabolite":"1-Butanol","pos_in_ppm":3.59,"couple_code":"2","J_constant":"6.63","relative_intensity":2,"Accession":"HMDB0004327","Blood":true,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Anabasine","pos_in_ppm":8.42,"couple_code":"1,1","J_constant":"4.90,1.60","relative_intensity":1,"Accession":"HMDB0004350","Blood":true,"Urine":true,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Eucalyptol","pos_in_ppm":1.03,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0004472","Blood":true,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Eucalyptol","pos_in_ppm":1.24,"couple_code":"0","relative_intensity":6,"Accession":"HMDB0004472","Blood":true,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Anatabine","pos_in_ppm":8.44,"couple_code":"1,1","J_constant":"4.87,1.62","relative_intensity":1,"Accession":"HMDB0004476","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Anatabine","pos_in_ppm":8.57,"couple_code":"1","J_constant":"2.26","relative_intensity":1,"Accession":"HMDB0004476","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"(+)-(S)-Carvone","pos_in_ppm":1.75,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0004487","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"(+)-(S)-Carvone","pos_in_ppm":2.34,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0004487","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"(+)-(S)-Carvone","pos_in_ppm":7.01,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0004487","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Perillic acid","pos_in_ppm":1.76,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0004586","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"2,4-Dichlorophenol","pos_in_ppm":6.99,"couple_code":"1","J_constant":"8.80","relative_intensity":1,"Accession":"HMDB0004811","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"2,4-Dichlorophenol","pos_in_ppm":7.2,"couple_code":"1","J_constant":"8.75","relative_intensity":1,"Accession":"HMDB0004811","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"2,4-Dichlorophenol","pos_in_ppm":7.43,"couple_code":"1","J_constant":"2.53","relative_intensity":1,"Accession":"HMDB0004811","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"2,5-Furandicarboxylic acid","pos_in_ppm":7.26,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0004812","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"4-Heptanone","pos_in_ppm":0.86,"couple_code":"2","J_constant":"7.43","relative_intensity":9,"Accession":"HMDB0004814","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"4-Heptanone","pos_in_ppm":2.51,"couple_code":"2","J_constant":"7.29","relative_intensity":4,"Accession":"HMDB0004814","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"cis-4-Octenedioic acid","pos_in_ppm":5.44,"couple_code":"2","J_constant":"4.58","relative_intensity":1,"Accession":"HMDB0004982","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Dimethyl sulfone","pos_in_ppm":3.138,"couple_code":"0","relative_intensity":6,"Accession":"HMDB0004983","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"Aspartyllysine","pos_in_ppm":2.65,"couple_code":"1,1","J_constant":"17.18,9.04","relative_intensity":7,"Accession":"HMDB0004987","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Aspartyllysine","pos_in_ppm":1.41,"couple_code":"2,2","J_constant":"7.79","relative_intensity":2,"Accession":"HMDB0004987","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Benzocaine","pos_in_ppm":1.36,"couple_code":"2","J_constant":"7.13","relative_intensity":3,"Accession":"HMDB0004992","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Benzocaine","pos_in_ppm":4.32,"couple_code":"3","J_constant":"7.15","relative_intensity":2,"Accession":"HMDB0004992","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Benzocaine","pos_in_ppm":7.86,"couple_code":"1","J_constant":"8.75","relative_intensity":2,"Accession":"HMDB0004992","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Guaifenesin","pos_in_ppm":3.84,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0004998","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Loperamide","pos_in_ppm":2.29,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0004999","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Loperamide","pos_in_ppm":2.94,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0004999","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Loperamide","pos_in_ppm":3.27,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0004999","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Loperamide","pos_in_ppm":7.32,"couple_code":"2","J_constant":"7.07","relative_intensity":1,"Accession":"HMDB0004999","Blood":true,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Loratadine","pos_in_ppm":1.26,"couple_code":"2","J_constant":"7.10","relative_intensity":3,"Accession":"HMDB0005000","Blood":true,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Loratadine","pos_in_ppm":3.22,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0005000","Blood":true,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Tolnaftate","pos_in_ppm":2.4,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0005005","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Tolnaftate","pos_in_ppm":3.75,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0005005","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Tolnaftate","pos_in_ppm":7.15,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0005005","Blood":false,"Urine":false,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"Lansoprazole","pos_in_ppm":4.65,"couple_code":"0","relative_intensity":2,"Accession":"HMDB0005008","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Indole-3-carbinol","pos_in_ppm":7.02,"couple_code":"2","J_constant":"7.46","relative_intensity":1,"Accession":"HMDB0005785","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"Iso-Valeraldehyde","pos_in_ppm":2.39,"couple_code":"1,1","J_constant":"6.90,2.50","relative_intensity":2,"Accession":"HMDB0006478","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"3-Methoxybenzenepropanoic acid","pos_in_ppm":3.82,"couple_code":"0","relative_intensity":27,"Accession":"HMDB0011751","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
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{"Metabolite":"(R)-2-Benzylsuccinate","pos_in_ppm":7.35,"couple_code":"2","J_constant":"7.53","relative_intensity":2,"Accession":"HMDB0012127","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"(S)-lipoic acid","pos_in_ppm":2.39,"couple_code":"2","J_constant":"7.41","relative_intensity":8,"Accession":"HMDB0014312","Blood":true,"Urine":true,"Solvent":"Water","ChemShiftRef":"CHCl3","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"(S)-alpha-Terpineol","pos_in_ppm":1.13,"couple_code":"1","J_constant":"7.92","relative_intensity":6,"Accession":"HMDB0036086","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"(S)-alpha-Terpineol","pos_in_ppm":1.17,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0036086","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"(S)-alpha-Terpineol","pos_in_ppm":5.36,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0036086","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"(-)-Catechin","pos_in_ppm":2.5,"couple_code":"1,1","J_constant":"16.07,8.14","relative_intensity":1,"Accession":"HMDB0037953","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"(-)-Catechin","pos_in_ppm":2.84,"couple_code":"1,1","J_constant":"16.12,5.39","relative_intensity":1,"Accession":"HMDB0037953","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"(-)-Catechin","pos_in_ppm":4.56,"couple_code":"1","J_constant":"7.54","relative_intensity":1,"Accession":"HMDB0037953","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
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{"Metabolite":"(-)-Catechin","pos_in_ppm":6.83,"couple_code":"1","J_constant":"1.98","relative_intensity":1,"Accession":"HMDB0037953","Blood":false,"Urine":false,"Solvent":"CD3OD","ChemShiftRef":"TMS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"5-Oxoprolinate","pos_in_ppm":4.17,"couple_code":"1,1","J_constant":"9.00,5.90","relative_intensity":1,"Accession":"HMDB0060262","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":600,"pH":"7.00"}
{"Metabolite":"Histamium","pos_in_ppm":3.29,"couple_code":"2","J_constant":"7.11","relative_intensity":2,"Accession":"HMDB0060263","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Histamium","pos_in_ppm":7.14,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0060263","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Histamium","pos_in_ppm":7.99,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0060263","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetylputrescinium","pos_in_ppm":1.98,"couple_code":"0","relative_intensity":1,"Accession":"HMDB0060268","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N-Acetylputrescinium","pos_in_ppm":3.2,"couple_code":"2","J_constant":"6.78","relative_intensity":1,"Accession":"HMDB0060268","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"Methylammonium","pos_in_ppm":2.59,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0060291","Blood":false,"Urine":false,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"N,N,O-Didesmethylvenlafaxine","pos_in_ppm":2.62,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0061166","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"N,N,O-Didesmethylvenlafaxine","pos_in_ppm":2.82,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0061166","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"N,N,O-Didesmethylvenlafaxine","pos_in_ppm":3.81,"couple_code":"0","relative_intensity":3,"Accession":"HMDB0061166","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"N,N,O-Didesmethylvenlafaxine","pos_in_ppm":6.87,"couple_code":"1","J_constant":"8.75","relative_intensity":2,"Accession":"HMDB0061166","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"N,N,O-Didesmethylvenlafaxine","pos_in_ppm":7.13,"couple_code":"1","J_constant":"8.69","relative_intensity":2,"Accession":"HMDB0061166","Blood":true,"Urine":true,"Solvent":"CDCl3","ChemShiftRef":"TMS","NMRFreq":600,"pH":"Not Applic"}
{"Metabolite":"2-Pentendioate","pos_in_ppm":3.073,"couple_code":"1,1","J_constant":"7.33,1.51","relative_intensity":2,"Accession":"HMDB0061185","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"2-Pentendioate","pos_in_ppm":5.858,"couple_code":"1,2","J_constant":"15.56,1.49","relative_intensity":1,"Accession":"HMDB0061185","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}
{"Metabolite":"2-Pentendioate","pos_in_ppm":6.651,"couple_code":"1,2","J_constant":"15.58,7.32","relative_intensity":1,"Accession":"HMDB0061185","Blood":false,"Urine":true,"Solvent":"Water","ChemShiftRef":"DSS","NMRFreq":500,"pH":"7.00"}