Validation Log
2024-05-26 04:20:27.194422
mwtab Python Library Version: 1.2.5
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN002939/mwtab/txt
Study ID:      ST001813
Analysis ID:   AN002939
File format:   txt
Status: Contains Validation Errors
Number Errors: 2

Error Log:
SCHEMA: Section "ANALYSIS" does not match the allowed schema. Missing key: 'ANALYSIS_TYPE'
SCHEMA: Section "NMR_METABOLITE_DATA" does not match the allowed schema. Wrong key 'NMR_RESULTS_FILE' in OrderedDict([('Units', 'uM'), ('Data', [OrderedDict([('Metabolite', 'Acetate'), ('BD1_P1', '6058.4'), ('BD1_P2', '6228.9'), ('BD1_P3', '6470'), ('BD1_P4', '6357.6'), ('BD2_P1', '6116'), ('BD2_P2', '6352.3'), ('BD2_P3', '6222.3'), ('BD2_P4', '6899'), ('BD3_P1', '6643.4'), ('BD3_P2', '6638.7'), ('BD3_P3', '6848.3'), ('BD3_P4', '7023.8'), ('BD4_P1', '6159.6'), ('BD4_P2', '6720.2'), ('BD4_P3', '6539.7'), ('BD4_P4', '6324.9'), ('BD5_P1', '5537.9'), ('BD5_P2', '5785'), ('BD5_P3', '5611'), ('BD5_P4', '5539.7'), ('BD6_P1', '6465'), ('BD6_P2', '6064.1'), ('BD6_P3', '6161.2'), ('BD6_P4', '6477.2'), ('D1_SP1', '5340.5'), ('D1_SP2', '5636.1'), ('D1_SP3', '5728.4'), ('D1_SP4', '5805.6'), ('D2_SP1', '5224.9'), ('D2_SP2', '5203.9'), ('D2_SP3', '5420.8'), ('D2_SP4', '5535.7'), ('D3_SP1', '5486.6'), ('D3_SP2', '5921.3'), ('D3_SP3', '5740.5'), ('D3_SP4', '5603'), ('D4_SP1', '5641.5'), ('D4_SP2', '5991.7'), ('D4_SP3', '5717.7'), ('D4_SP4', '5443.2'), ('D5_SP1', '5735.6'), ('D5_SP2', '5794.2'), ('D5_SP3', '5907.6'), ('D5_SP4', '6169.7'), ('D6_SP1', '5812.7'), ('D6_SP2', '5777.8'), ('D6_SP3', '5718.9'), ('D6_SP4', '5737.3'), ('P_1', '6125.7'), ('P_10', '8089'), ('P_11_R', '7936.6'), ('P_12', '4001.4'), ('P_13', '7026.7'), ('P_14', '3007.5'), ('P_15', '6446.3'), ('P_16', '6096.5'), ('P_17', '8017.1'), ('P_18', '7508.5'), ('P_19', '3906.7'), ('P_2', '3856'), ('P_20', '3812.5'), ('P_21', '6010.4'), ('P_22', '4077.5'), ('P_23', '7771.5'), ('P_24', '6722.3'), ('P_25', '5716.1'), ('P_26', '3733.8'), ('P_27', '4102.3'), ('P_28', '7329.5'), ('P_29', '2864.7'), ('P_3', '3017.8'), ('P_30', '6324.8'), ('P_4', '3875'), ('P_5', '4282.9'), ('P_6', '7499.6'), ('P_7', '5751.1'), ('P_9', '6782.1'), ('S_1_6W', '9057.5'), ('S_10_R_1Y', '10242.5'), ('S_101_1Y', '6623.5'), ('S_102_6W', '9295.4'), ('S_103', '7529.9'), ('S_104', '1773.6'), ('S_104_1Y', '7017.3'), ('S_105_1Y', '5812.3'), ('S_106_6W', '4267.1'), ('S_107_1Y', '12474'), ('S_108', '13129.3'), ('S_108_6W', '13897.2'), ('S_109', '12414.1'), ('S_110_1Y', '6275.1'), ('S_111_6W', '2559'), ('S_112', '3949'), ('S_112_1Y', '8660.3'), ('S_113_6W', '10059.4'), ('S_114', '8803.3'), ('S_114_1Y', '18475'), ('S_115_1Y', '11273'), ('S_116', '4905.5'), ('S_116_R_6W', '3854.5'), ('S_117', '8363.2'), ('S_118', '1727.9'), ('S_118_6W', '2878.4'), ('S_119_1Y', '14693'), ('S_120', '5355.3'), ('S_120_1Y', '4395'), ('S_121_6W', '10058.4'), ('S_122_1Y', '8692.3'), ('S_123_6W', '4281.6'), ('S_124_1Y', '7107.7'), ('S_125_1Y', '5875.7'), ('S_126_6W', '4494.7'), ('S_127_1Y', '15322.5'), ('S_128_6W', '2914.7'), ('S_129_1Y', '14972.9'), ('S_13', '3398.1'), ('S_13_1Y', '9067.3'), ('S_130', '5791.9'), ('S_130_1Y', '7916.3'), ('S_131', '3502.8'), ('S_131_1Y', '20792.1'), ('S_132_1Y', '7587.4'), ('S_133_6W', '5449.1'), ('S_134', '3463.7'), ('S_134_1Y', '2140.2'), ('S_135_1Y', '13362.7'), ('S_136_6W', '3594.9'), ('S_137_6W', '795.5'), ('S_138', '101.7'), ('S_139_1Y', '8938.9'), ('S_140', '3099.3'), ('S_140_6W', '2651.3'), ('S_141_1Y', '7340.6'), ('S_142_1Y', '4298.6'), ('S_143_6W', '3291'), ('S_144_R_6W', '12143.5'), ('S_145', '6520.9'), ('S_145_1Y', '7706.1'), ('S_146', '2450.4'), ('S_146_R_1Y', '8850.6'), ('S_147_1Y', '6265.1'), ('S_148_6W', '3380.9'), ('S_149_1Y', '14413.2'), ('S_15_R_1Y', '3889.1'), ('S_150', '6011.3'), ('S_150_1Y', '5997'), ('S_151_6W', '457.6'), ('S_152_6W', '1630.1'), ('S_153_1Y', '8072.5'), ('S_154_1Y', '11786.7'), ('S_155', '8818.8'), ('S_155_1Y', '5277.3'), ('S_156', '3289.7'), ('S_156_1Y', '7130.4'), ('S_157_6W', '1901'), ('S_158', '239.7'), ('S_158_R_1Y', '15623.3'), ('S_159_R_1Y', '9830.9'), ('S_16', '7242'), ('S_16_R_6W', '986.2'), ('S_160_6W', '1482.2'), ('S_161_R_1Y', '8425'), ('S_162_6W', '2322.5'), ('S_163_1Y', '6793.3'), ('S_164_1Y', '6270'), ('S_165_6W', '8003.6'), ('S_166_1Y', '15898.4'), ('S_167_6W', '2232.8'), ('S_168', '4452.8'), ('S_168_1Y', '9754.1'), ('S_169_1Y', '5628.2'), ('S_17_1Y', '10973.9'), ('S_170_6W', '8603.8'), ('S_171_1Y', '14032'), ('S_172_6W', '6246.9'), ('S_173_1Y', '6413.3'), ('S_174_1Y', '19744.3'), ('S_175_6W', '3146.7'), ('S_176', '8049.4'), ('S_176_6W', '9280'), ('S_177_1Y', '8390.8'), ('S_178_1Y', '10392.9'), ('S_179', '4246.3'), ('S_179_6W', '1662.7'), ('S_18', '962.3'), ('S_18_1Y', '5955.8'), ('S_180_6W', '4328.9'), ('S_181_1Y', '7739.3'), ('S_182_1Y', '18604.9'), ('S_183_6W', '973.6'), ('S_184_1Y', '5764.8'), ('S_186_1Y', '6171.7'), ('S_187', '3950.5'), ('S_187_6W', '1852.2'), ('S_188_1Y', '8414.6'), ('S_189_6W', '7166.1'), ('S_19_6W', '4166.8'), ('S_190_1Y', '9974.8'), ('S_191', '8840'), ('S_191_1Y', '8094.6'), ('S_192_6W', '5269.1'), ('S_193_6W', '2469.7'), ('S_194_1Y', '13910.8'), ('S_195_1Y', '14595.9'), ('S_196_1Y', '16519.6'), ('S_197', '4609.6'), ('S_197_6W', '3019.7'), ('S_198_1Y', '13671'), ('S_199_1Y', '12285.2'), ('S_2_1Y', '3120.5'), ('S_20', '1405.5'), ('S_20_1Y', '10007.1'), ('S_200', '1337.7'), ('S_200_6W', '6640'), ('S_201_1Y', '7144.4'), ('S_202_6W', '3619.5'), ('S_203', '3462.8'), ('S_203_1Y', '13571.6'), ('S_204_1Y', '14811.1'), ('S_205_1Y', '7350.6'), ('S_206_6W', '19374.6'), ('S_207', '4322.7'), ('S_207_1Y', '9794.5'), ('S_208', '9068.6'), ('S_208_1Y', '9961'), ('S_209_1Y', '28559.9'), ('S_21_6W', '4566'), ('S_210_1Y', '9935.1'), ('S_211_6W', '2783.8'), ('S_212_R_1Y', '5998.6'), ('S_213_1Y', '10222.8'), ('S_214', '8191.8'), ('S_214_1Y', '7883.9'), ('S_215', '9224.6'), ('S_215_6W', '4263.3'), ('S_216', '4038.5'), ('S_216_1Y', '4817.4'), ('S_217_1Y', '10796'), ('S_218_1Y', '16296.5'), ('S_219', '1510.2'), ('S_22_R_1Y', '4711.7'), ('S_220', '5849.5'), ('S_220_6W', '8262.6'), ('S_221_1Y', '4714.8'), ('S_222_1Y', '6594'), ('S_223_1Y', '1435.9'), ('S_224_1Y', '9286'), ('S_225', '7612.1'), ('S_225_6W', '4719.9'), ('S_226_1Y', '7260.3'), ('S_227_1Y', '2349.4'), ('S_229', '819.3'), ('S_229_6W', '8629.1'), ('S_23_6W', '2974.1'), ('S_230_1Y', '7303'), ('S_231_1Y', '19163'), ('S_232', '5394.4'), ('S_232_1Y', '12904.7'), ('S_233', '5057.4'), ('S_233_6W', '9328.2'), ('S_234_1Y', '3379.8'), ('S_235', '5213.7'), ('S_235_1Y', '22738.5'), ('S_236_1Y', '6376.1'), ('S_237_1Y', '9271'), ('S_238', '8516.3'), ('S_238_6W', '4125.4'), ('S_239', '820'), ('S_239_1Y', '5977.3'), ('S_24_1Y', '11504'), ('S_240', '6208.1'), ('S_240_1Y', '8821'), ('S_241_1Y', '12672.9'), ('S_242_1Y', '1416.2'), ('S_243_6W', '3193.6'), ('S_244', '9710.6'), ('S_244_1Y', '5929.8'), ('S_245_1Y', '5950.4'), ('S_246_1Y', '7323'), ('S_247_6W', '4896'), ('S_248_6W', '8704.6'), ('S_249_1Y', '11898.6'), ('S_25_6W', '3447.6'), ('S_251_1Y', '24908.7'), ('S_252', '10784.5'), ('S_252_1Y', '7221.6'), ('S_253_6W', '908.1'), ('S_254', '1455.1'), ('S_254_1Y', '15827.8'), ('S_255_1Y', '10254.5'), ('S_256_1Y', '13601.3'), ('S_257_6W', '171.6'), ('S_258_1Y', '12961.1'), ('S_259_1Y', '10857'), ('S_26', '6711.4'), ('S_26_1Y', '11853.3'), ('S_260', '8843.3'), ('S_260_1Y', '16682'), ('S_262_6W', '14778.9'), ('S_263_1Y', '18299.7'), ('S_264', '12410.2'), ('S_264_1Y', '2180.9'), ('S_265', '6725'), ('S_265_6W', '14514.3'), ('S_266', '4073.9'), ('S_266_6W', '4059.3'), ('S_267_1Y', '5898'), ('S_268_1Y', '8195.4'), ('S_269_6W', '16026.7'), ('S_27_6W', '2329.4'), ('S_270_6W', '3019'), ('S_271_1Y', '3632.3'), ('S_272_1Y', '14067'), ('S_273_1Y', '9669.9'), ('S_274', '4969.2'), ('S_274_1Y', '6378.5'), ('S_275_1Y', '8802.8'), ('S_276', '3070.3'), ('S_276_6W', '4139.2'), ('S_277_6W', '14943.8'), ('S_278_1Y', '17009.9'), ('S_279', '10469.9'), ('S_28_1Y', '17157.9'), ('S_281', '1185.6'), ('S_281_6W', '3455.9'), ('S_282_1Y', '5687.4'), ('S_283_1Y', '28326.5'), ('S_284_1Y', '14528.4'), ('S_285', '2860.5'), ('S_285_1Y', '14811.1'), ('S_286_6W', '405.8'), ('S_288_1Y', '10496.2'), ('S_289', '3234.7'), ('S_29', '5582.7'), ('S_290_1Y', '30766.1'), ('S_291_6W', '3192'), ('S_292', '4918'), ('S_292_1Y', '7839.7'), ('S_293_1Y', '5469.3'), ('S_295_6W', '16805.4'), ('S_296_6W', '15640.3'), ('S_297_1Y', '11006.5'), ('S_298_1Y', '17587.3'), ('S_299_1Y', '19703.6'), ('S_3_1Y', '4940.8'), ('S_30_1Y', '7499.4'), ('S_300_1Y', '15716.5'), ('S_301', '9616.8'), ('S_301_6W', '4790.7'), ('S_302_1Y', '25318'), ('S_303', '3943'), ('S_303_1Y', '14648.9'), ('S_304_1Y', '7454.7'), ('S_305_6W', '8108.3'), ('S_306_1Y', '6312'), ('S_307', '6583.4'), ('S_307_1Y', '6790.8'), ('S_308_1Y', '20982.7'), ('S_31_1Y', '4153.8'), ('S_311', '7242.3'), ('S_312', '6314.1'), ('S_313', '4877.9'), ('S_314', '7104'), ('S_317', '1819.5'), ('S_318', '8449.6'), ('S_319', '2189.2'), ('S_32_6W', '13084.7'), ('S_320', '4948.4'), ('S_332', '4313.6'), ('S_335', '656.1'), ('S_337', '9721'), ('S_339', '3534.6'), ('S_34', '2393.4'), ('S_34_6W', '703.8'), ('S_340', '4953.3'), ('S_348', '5712.2'), ('S_349', '6042'), ('S_35_1Y', '5377.9'), ('S_351', '7501.3'), ('S_354', '5899.4'), ('S_355', '11937.7'), ('S_36_1Y', '11241.9'), ('S_368', '5013.1'), ('S_37', '2386.7'), ('S_37_1Y', '7120.4'), ('S_371', '346.4'), ('S_375', '2771.4'), ('S_376', '7557.7'), ('S_38', '9612.8'), ('S_38_1Y', '4904.1'), ('S_381', '3572.2'), ('S_383', '3635'), ('S_386', '3670.3'), ('S_39_1Y', '10366.5'), ('S_391', '5917.1'), ('S_393', '10057.7'), ('S_4', '4745.2'), ('S_4_6W', '8468.7'), ('S_40_6W', '6285.5'), ('S_406', '4859.5'), ('S_409', '9288.6'), ('S_41_1Y', '4390.9'), ('S_410', '4504.9'), ('S_411', '15478.2'), ('S_412', '618.2'), ('S_413', '1049.2'), ('S_418', '10073.1'), ('S_42', '9809.9'), ('S_42_6W', '2088.3'), ('S_420', '9155.8'), ('S_422', '6856.2'), ('S_426', '7325'), ('S_43_R_1Y', '7247.4'), ('S_435', '3987.4'), ('S_437', '15030.3'), ('S_44_1Y', '7950.4'), ('S_440', '6168.1'), ('S_444', '1691.3'), ('S_445', '8413.9'), ('S_45_6W', '1805.4'), ('S_455', '10221.1'), ('S_457', '5357.4'), ('S_46', '5264.8'), ('S_46_1Y', '4925.5'), ('S_463', '1719.1'), ('S_468', '1587.8'), ('S_47_6W', '2445.6'), ('S_471', '7119.1'), ('S_476', '9671.8'), ('S_479', '6128.4'), ('S_48_1Y', '11284.5'), ('S_480', '5211.9'), ('S_481', '4521.8'), ('S_485', '5364.4'), ('S_486', '6277.2'), ('S_488', '6863.2'), ('S_489', '7228.4'), ('S_49_6W', '3859.5'), ('S_495', '3834.7'), ('S_498', '6993.7'), ('S_5_1Y', '8691.4'), ('S_50_1Y', '13275.3'), ('S_503', '4689.5'), ('S_506', '13899'), ('S_507', '3624.6'), ('S_509', '8893.1'), ('S_51', '6827.3'), ('S_51_6W', '1715.7'), ('S_511', '1699.4'), ('S_515', '7294.7'), ('S_517', '5520.6'), ('S_519', '639.5'), ('S_52', '5281.8'), ('S_52_1Y', '5410.4'), ('S_520', '7402.5'), ('S_523', '5084.7'), ('S_53_1Y', '9949'), ('S_530', '8135.3'), ('S_534', '4877.1'), ('S_539', '10119.2'), ('S_54_6W', '3886.4'), ('S_540', '6678.4'), ('S_541', '7809.8'), ('S_55_1Y', '9970.4'), ('S_550', '5784.2'), ('S_56', '4696.7'), ('S_57_1Y', '8697.2'), ('S_59', '2258.5'), ('S_59_6W', '3014.9'), ('S_6_6W', '10157.7'), ('S_60_1Y', '6246.7'), ('S_61_1Y', '22565.8'), ('S_62_6W', '6642'), ('S_63', '1309.6'), ('S_64_6W', '3810.1'), ('S_65_1Y', '10684.3'), ('S_66', '1893.4'), ('S_66_6W', '15172.3'), ('S_67', '7771.7'), ('S_68', '6055.6'), ('S_69', '9266.1'), ('S_7_1Y', '13402.5'), ('S_71', '8009'), ('S_71_1Y', '18801'), ('S_72', '921.1'), ('S_72_6W', '769.2'), ('S_73_1Y', '14897.1'), ('S_74', '1554.4'), ('S_74_1Y', '7461.5'), ('S_75_6W', '4344.1'), ('S_76_1Y', '8628.7'), ('S_77_6W', '7438.7'), ('S_78_1Y', '7872.4'), ('S_79', '5602.6'), ('S_79_1Y', '5630.1'), ('S_8', '10061.1'), ('S_80_6W', '5769.4'), ('S_81_1Y', '3091.7'), ('S_83_1Y', '3327.1'), ('S_84_1Y', '18871'), ('S_85', '7475.4'), ('S_85_6W', '5473.3'), ('S_86', '10959.6'), ('S_86_1Y', '12878.8'), ('S_87_6W', '1965.9'), ('S_88_1Y', '6011.2'), ('S_89_6W', '6838.5'), ('S_90_1Y', '9240.2'), ('S_91_6W', '5975.9'), ('S_92_1Y', '6326.3'), ('S_94_1Y', '5413.2'), ('S_95', '11232.4'), ('S_95_6W', '1169.6'), ('S_96', '3737.9'), ('S_96_1Y', '13732.9'), ('S_97_6W', '495.1'), ('S_98_1Y', '9435.5')]), OrderedDict([('Metabolite', 'Alanine'), ('BD1_P1', '1378.1'), ('BD1_P2', '1330.4'), ('BD1_P3', '1408.3'), ('BD1_P4', '1375'), ('BD2_P1', '1476'), ('BD2_P2', '1526.7'), ('BD2_P3', '1514'), ('BD2_P4', '1579'), ('BD3_P1', '1529.5'), ('BD3_P2', '1516.1'), ('BD3_P3', '1591'), 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('S_75_6W', '13.6'), ('S_76_1Y', '36.7'), ('S_77_6W', '13.7'), ('S_78_1Y', '19'), ('S_79', '25.1'), ('S_79_1Y', '60.2'), ('S_8', '11.3'), ('S_80_6W', '12.8'), ('S_81_1Y', '92.5'), ('S_83_1Y', '19'), ('S_84_1Y', '10.7'), ('S_85', '8.1'), ('S_85_6W', '18'), ('S_86', '16.2'), ('S_86_1Y', '17.1'), ('S_87_6W', '8'), ('S_88_1Y', '31.6'), ('S_89_6W', '6.4'), ('S_90_1Y', '4.8'), ('S_91_6W', '99.7'), ('S_92_1Y', '40'), ('S_94_1Y', '17.8'), ('S_95', '14.4'), ('S_95_6W', '8.6'), ('S_96', '6.9'), ('S_96_1Y', '44'), ('S_97_6W', '6.3'), ('S_98_1Y', '14.9')])]), ('Metabolites', [OrderedDict([('Metabolite', 'Acetate'), ('CAS Registry', '64-19-7'), ('HMDB Accession Number', 'HMDB00042'), ('KEGG Compound ID', 'C00033'), ('PubChem Compound', '176')]), OrderedDict([('Metabolite', 'Alanine'), ('CAS Registry', '56-41-7'), ('HMDB Accession Number', 'HMDB00161'), ('KEGG Compound ID', 'C00041'), ('PubChem Compound', '5950')]), OrderedDict([('Metabolite', 'Asparagine'), ('CAS Registry', '70-47-3'), ('HMDB Accession Number', 'HMDB00168'), ('KEGG Compound ID', 'C00152'), ('PubChem Compound', '6267')]), OrderedDict([('Metabolite', 'Aspartate'), ('CAS Registry', '56-84-8'), ('HMDB Accession Number', 'HMDB00191'), ('KEGG Compound ID', 'C00049'), ('PubChem Compound', '5960')]), OrderedDict([('Metabolite', 'Butyrate'), ('CAS Registry', '107-92-6'), ('HMDB Accession Number', 'HMDB00039'), ('KEGG Compound ID', 'C00246'), ('PubChem Compound', '264')]), OrderedDict([('Metabolite', 'Cholate'), ('CAS Registry', '81-25-4'), ('HMDB Accession Number', 'HMDB00619'), ('KEGG Compound ID', 'C00695'), ('PubChem Compound', '221493')]), OrderedDict([('Metabolite', 'Formate'), ('CAS Registry', '64-18-6'), ('HMDB Accession Number', 'HMDB00142'), ('KEGG Compound ID', 'C00058'), ('PubChem Compound', '284')]), OrderedDict([('Metabolite', 'Fucose'), ('CAS Registry', '2438-80-4'), ('HMDB Accession Number', 'HMDB00174'), ('KEGG Compound ID', 'C01019'), ('PubChem Compound', '17106')]), OrderedDict([('Metabolite', 'Fumarate'), ('CAS Registry', '110-17-8'), ('HMDB Accession Number', 'HMDB00134'), ('KEGG Compound ID', 'C00122'), ('PubChem Compound', '723')]), OrderedDict([('Metabolite', 'Glucose'), ('CAS Registry', '50-99-7'), ('HMDB Accession Number', 'HMDB00122'), ('KEGG Compound ID', 'C00031'), ('PubChem Compound', '5793')]), OrderedDict([('Metabolite', 'Glutamate'), ('CAS Registry', '56-86-0'), ('HMDB Accession Number', 'HMDB00148'), ('KEGG Compound ID', 'C00025'), ('PubChem Compound', '33032')]), OrderedDict([('Metabolite', 'Glycerol'), ('CAS Registry', '56-81-5'), ('HMDB Accession Number', 'HMDB00131'), ('KEGG Compound ID', 'C00116'), ('PubChem Compound', '753')]), OrderedDict([('Metabolite', 'Glycine'), ('CAS Registry', '56-40-6'), ('HMDB Accession Number', 'HMDB00123'), ('KEGG Compound ID', 'C00037'), ('PubChem Compound', '750')]), OrderedDict([('Metabolite', 'Histidine'), ('CAS Registry', '71-00-1'), ('HMDB Accession Number', 'HMDB00177'), ('KEGG Compound ID', 'C00135'), ('PubChem Compound', '6274')]), OrderedDict([('Metabolite', 'Inosine'), ('CAS Registry', '58-63-9'), ('HMDB Accession Number', 'HMDB00195'), ('KEGG Compound ID', 'C00294'), ('PubChem Compound', '6021')]), OrderedDict([('Metabolite', 'Isobutyrate'), ('CAS Registry', '79-31-2'), ('HMDB Accession Number', 'HMDB01873'), ('KEGG Compound ID', 'C02632'), ('PubChem Compound', '6590')]), OrderedDict([('Metabolite', 'Isoleucine'), ('CAS Registry', '73-32-5'), ('HMDB Accession Number', 'HMDB00172'), ('KEGG Compound ID', 'C00407'), ('PubChem Compound', '6306')]), OrderedDict([('Metabolite', 'Lactate'), ('CAS Registry', '79-33-4'), ('HMDB Accession Number', 'HMDB00190'), ('KEGG Compound ID', 'C00186'), ('PubChem Compound', '107689')]), OrderedDict([('Metabolite', 'Leucine'), ('CAS Registry', '61-90-5'), ('HMDB Accession Number', 'HMDB00687'), ('KEGG Compound ID', 'C00123'), ('PubChem Compound', '6106')]), OrderedDict([('Metabolite', 'Lysine'), ('CAS Registry', '56-87-1'), ('HMDB Accession Number', 'HMDB00182'), ('KEGG Compound ID', 'C00047'), ('PubChem Compound', '5962')]), OrderedDict([('Metabolite', 'Malonate'), ('CAS Registry', '141-82-2'), ('HMDB Accession Number', 'HMDB00691'), ('KEGG Compound ID', 'C00383'), ('PubChem Compound', '867')]), OrderedDict([('Metabolite', 'Maltose'), ('CAS Registry', '69-79-4'), ('HMDB Accession Number', 'HMDB00163'), ('KEGG Compound ID', 'C00208'), ('PubChem Compound', '439186')]), OrderedDict([('Metabolite', 'Methionine'), ('CAS Registry', '63-68-3'), ('HMDB Accession Number', 'HMDB00696'), ('KEGG Compound ID', 'C00073'), ('PubChem Compound', '6137')]), OrderedDict([('Metabolite', 'Nicotinate'), ('CAS Registry', '59-67-6'), ('HMDB Accession Number', 'HMDB01488'), ('KEGG Compound ID', 'C00253'), ('PubChem Compound', '938')]), OrderedDict([('Metabolite', 'Phenylalanine'), ('CAS Registry', '63-91-2'), ('HMDB Accession Number', 'HMDB00159'), ('KEGG Compound ID', 'C00079'), ('PubChem Compound', '6140')]), OrderedDict([('Metabolite', 'Proline'), ('CAS Registry', '147-85-3'), ('HMDB Accession Number', 'HMDB00162'), ('KEGG Compound ID', 'C00148'), ('PubChem Compound', '145742')]), OrderedDict([('Metabolite', 'Propionate'), ('CAS Registry', '79-09-4'), ('HMDB Accession Number', 'HMDB00237'), ('KEGG Compound ID', 'C00163'), ('PubChem Compound', '1032')]), OrderedDict([('Metabolite', 'Propylene glycol'), ('CAS Registry', '57-55-6'), ('HMDB Accession Number', 'HMDB01881'), ('KEGG Compound ID', 'C00583'), ('PubChem Compound', '1030')]), OrderedDict([('Metabolite', 'Succinate'), ('CAS Registry', '110-15-6'), ('HMDB Accession Number', 'HMDB00254'), ('KEGG Compound ID', 'C00042'), ('PubChem Compound', '1110')]), OrderedDict([('Metabolite', 'Threonine'), ('CAS Registry', '72-19-5'), ('HMDB Accession Number', 'HMDB00167'), ('KEGG Compound ID', 'C00188'), ('PubChem Compound', '6288')]), OrderedDict([('Metabolite', 'Tryptophan'), ('CAS Registry', '73-22-3'), ('HMDB Accession Number', 'HMDB00929'), ('KEGG Compound ID', 'C00078'), ('PubChem Compound', '6305')]), OrderedDict([('Metabolite', 'Tyrosine'), ('CAS Registry', '60-18-4'), ('HMDB Accession Number', 'HMDB00158'), ('KEGG Compound ID', 'C00082'), ('PubChem Compound', '6057')]), OrderedDict([('Metabolite', 'Uracil'), ('CAS Registry', '66-22-8'), ('HMDB Accession Number', 'HMDB00300'), ('KEGG Compound ID', 'C00106'), ('PubChem Compound', '1174')]), OrderedDict([('Metabolite', 'Uridine'), ('CAS Registry', '58-96-8'), ('HMDB Accession Number', 'HMDB00296'), ('KEGG Compound ID', 'C00299'), ('PubChem Compound', '6029')]), OrderedDict([('Metabolite', 'Valine'), ('CAS Registry', '72-18-4'), ('HMDB Accession Number', 'HMDB00883'), ('KEGG Compound ID', 'C00183'), ('PubChem Compound', '6287')]), OrderedDict([('Metabolite', 'pi-Methylhistidine'), ('CAS Registry', '368-16-1'), ('HMDB Accession Number', 'HMDB00479'), ('KEGG Compound ID', 'C01152'), ('PubChem Compound', '64969')])]), ('NMR_RESULTS_FILE', '4a.Fecal_Metabolomics_Microbiome_Normalized_Binned_Data_Metabolomics_Workbench_Format.txt UNITS:ppm')])