#METABOLOMICS WORKBENCH krueger_20231003_090520 DATATRACK_ID:4369 STUDY_ID:ST002909 ANALYSIS_ID:AN004778 PROJECT_ID:PR001809 VERSION 1 CREATED_ON October 3, 2023, 11:37 am #PROJECT PR:PROJECT_TITLE Plasma metabolomics reveals distinct biological and diagnostic signatures for PR:PROJECT_TITLE melioidosis PR:PROJECT_SUMMARY Rationale: The global burden of sepsis is greatest in low-resource settings. PR:PROJECT_SUMMARY Melioidosis, infection with the Gram-negative bacterium Burkholderia PR:PROJECT_SUMMARY pseudomallei, is a frequent cause of fatal sepsis in endemic tropical regions PR:PROJECT_SUMMARY such as Southeast Asia. Objectives: To investigate whether plasma metabolomics PR:PROJECT_SUMMARY would identify biological pathways specific to melioidosis and yield clinically PR:PROJECT_SUMMARY meaningful biomarkers. Methods: Using a comprehensive approach, differential PR:PROJECT_SUMMARY enrichment of plasma metabolites and pathways was systematically evaluated in PR:PROJECT_SUMMARY individuals selected from a prospective cohort of patients hospitalized in rural PR:PROJECT_SUMMARY Thailand with infection. Statistical and bioinformatics methods were used to PR:PROJECT_SUMMARY distinguish metabolomic features and processes specific to melioidosis patients, PR:PROJECT_SUMMARY and between fatal and non-fatal cases. Measurements and Main Results: PR:PROJECT_SUMMARY Metabolomic profiling and pathway enrichment analysis of plasma samples of PR:PROJECT_SUMMARY melioidosis (n=175) and non-melioidosis infections (n=75) revealed a distinct PR:PROJECT_SUMMARY immuno-metabolic state among patients with melioidosis, as suggested by PR:PROJECT_SUMMARY excessive tryptophan catabolism in the kynurenine pathway and significantly PR:PROJECT_SUMMARY increased levels of sphingomyelins and ceramide species. We derived a PR:PROJECT_SUMMARY 12-metabolite classifier to distinguish melioidosis from other infections, PR:PROJECT_SUMMARY yielding an area under the receiver operating characteristic curve of 0.87 in a PR:PROJECT_SUMMARY second validation set of patients. Melioidosis non-survivors (n=94) had a PR:PROJECT_SUMMARY significantly disturbed metabolome compared to survivors (n=81) with increased PR:PROJECT_SUMMARY leucine, isoleucine and valine metabolism, and elevated circulating free fatty PR:PROJECT_SUMMARY acids and acylcarnitines. A limited 8-metabolite panel showed promise as an PR:PROJECT_SUMMARY early prognosticator of mortality in melioidosis. Conclusions: Melioidosis PR:PROJECT_SUMMARY induces a distinct metabolomic state that can be examined to distinguish PR:PROJECT_SUMMARY underlying pathophysiological mechanisms associated with death. A PR:PROJECT_SUMMARY twelve-metabolite signature accurately differentiates melioidosis from other PR:PROJECT_SUMMARY infections and may have diagnostic applications. PR:INSTITUTE University of Washington PR:DEPARTMENT Medicine PR:LAST_NAME Gharib PR:FIRST_NAME Sina PR:ADDRESS Center for Lung Biology, 850 Republican St, Seattle WA 98109 PR:EMAIL sagharib@uw.edu PR:PHONE 206-221-0630 PR:FUNDING_SOURCE NIH (R01HL113382, R01AI137111, R01GM114029, R21AI173435) and the Wellcome Trust PR:FUNDING_SOURCE (090219/Z/09/Z, 101103/Z/13/Z) PR:CONTRIBUTORS Lu Xia, T. Eoin West #STUDY ST:STUDY_TITLE Plasma metabolomics reveals distinct biological and diagnostic signatures for ST:STUDY_TITLE melioidosis ST:STUDY_SUMMARY Rationale: The global burden of sepsis is greatest in low-resource settings. ST:STUDY_SUMMARY Melioidosis, infection with the Gram-negative bacterium Burkholderia ST:STUDY_SUMMARY pseudomallei, is a frequent cause of fatal sepsis in endemic tropical regions ST:STUDY_SUMMARY such as Southeast Asia. Objectives: To investigate whether plasma metabolomics ST:STUDY_SUMMARY would identify biological pathways specific to melioidosis and yield clinically ST:STUDY_SUMMARY meaningful biomarkers. Methods: Using a comprehensive approach, differential ST:STUDY_SUMMARY enrichment of plasma metabolites and pathways was systematically evaluated in ST:STUDY_SUMMARY individuals selected from a prospective cohort of patients hospitalized in rural ST:STUDY_SUMMARY Thailand with infection. Statistical and bioinformatics methods were used to ST:STUDY_SUMMARY distinguish metabolomic features and processes specific to melioidosis patients, ST:STUDY_SUMMARY and between fatal and non-fatal cases. Measurements and Main Results: ST:STUDY_SUMMARY Metabolomic profiling and pathway enrichment analysis of plasma samples of ST:STUDY_SUMMARY melioidosis (n=175) and non-melioidosis infections (n=75) revealed a distinct ST:STUDY_SUMMARY immuno-metabolic state among patients with melioidosis, as suggested by ST:STUDY_SUMMARY excessive tryptophan catabolism in the kynurenine pathway and significantly ST:STUDY_SUMMARY increased levels of sphingomyelins and ceramide species. We derived a ST:STUDY_SUMMARY 12-metabolite classifier to distinguish melioidosis from other infections, ST:STUDY_SUMMARY yielding an area under the receiver operating characteristic curve of 0.87 in a ST:STUDY_SUMMARY second validation set of patients. Melioidosis non-survivors (n=94) had a ST:STUDY_SUMMARY significantly disturbed metabolome compared to survivors (n=81) with increased ST:STUDY_SUMMARY leucine, isoleucine and valine metabolism, and elevated circulating free fatty ST:STUDY_SUMMARY acids and acylcarnitines. A limited 8-metabolite panel showed promise as an ST:STUDY_SUMMARY early prognosticator of mortality in melioidosis. Conclusions: Melioidosis ST:STUDY_SUMMARY induces a distinct metabolomic state that can be examined to distinguish ST:STUDY_SUMMARY underlying pathophysiological mechanisms associated with death. A ST:STUDY_SUMMARY twelve-metabolite signature accurately differentiates melioidosis from other ST:STUDY_SUMMARY infections and may have diagnostic applications. ST:INSTITUTE University of Washington ST:LAST_NAME Gharib ST:FIRST_NAME Sina ST:ADDRESS Center for Lung Biology, 850 Republican St. Seattle WA 98109 ST:EMAIL sagharib@uw.edu ST:PHONE 206-221-0630 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 1 Group:control age=49; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 2 Group:control age=53; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 3 Group:control age=37; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 4 Group:control age=65; sex=F; mortality=NA SUBJECT_SAMPLE_FACTORS - 5 Group:control age=48; sex=F; mortality=NA SUBJECT_SAMPLE_FACTORS - 6 Group:control age=67; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 7 Group:control age=41; sex=F; mortality=NA SUBJECT_SAMPLE_FACTORS - 8 Group:control age=45; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 9 Group:control age=42; 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sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 209 Group:melioid age=70; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 210 Group:melioid age=47; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 211 Group:melioid age=33; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 212 Group:melioid age=67; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 213 Group:melioid age=44; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 214 Group:melioid age=66; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 215 Group:melioid age=56; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 216 Group:melioid age=60; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 217 Group:melioid age=69; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 218 Group:melioid age=64; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 219 Group:melioid age=55; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 220 Group:melioid age=62; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 221 Group:melioid age=84; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 222 Group:melioid age=33; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 223 Group:melioid age=51; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 224 Group:melioid age=49; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 225 Group:melioid age=69; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 226 Group:ecoli age=36; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 227 Group:ecoli age=74; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 228 Group:ecoli age=40; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 229 Group:ecoli age=83; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 230 Group:ecoli age=82; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 231 Group:ecoli age=49; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 232 Group:ecoli age=71; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 233 Group:ecoli age=67; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 234 Group:ecoli age=61; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 235 Group:ecoli age=74; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 236 Group:ecoli age=63; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 237 Group:ecoli age=68; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 238 Group:ecoli age=70; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 239 Group:ecoli age=82; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 240 Group:ecoli age=54; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 241 Group:ecoli age=51; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 242 Group:ecoli age=66; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 243 Group:ecoli age=61; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 244 Group:ecoli age=58; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 245 Group:ecoli age=72; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 246 Group:ecoli age=67; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 247 Group:ecoli age=85; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 248 Group:staph age=48; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 249 Group:staph age=51; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 250 Group:staph age=64; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 251 Group:staph age=82; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 252 Group:staph age=64; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 253 Group:staph age=37; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 254 Group:staph age=70; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 255 Group:staph age=65; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 256 Group:staph age=22; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 257 Group:staph age=75; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 258 Group:staph age=59; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 259 Group:staph age=47; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 260 Group:staph age=70; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 261 Group:staph age=44; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 262 Group:staph age=68; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 263 Group:staph age=27; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 264 Group:klebs age=38; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 265 Group:klebs age=78; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 266 Group:klebs age=75; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 267 Group:klebs age=62; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 268 Group:klebs age=77; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 269 Group:klebs age=64; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 270 Group:klebs age=80; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 271 Group:klebs age=36; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 272 Group:klebs age=32; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 273 Group:klebs age=95; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 274 Group:klebs age=44; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 275 Group:klebs age=74; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 276 Group:klebs age=45; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 277 Group:klebs age=68; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 278 Group:klebs age=63; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 279 Group:culture neg age=46; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 280 Group:culture neg age=55; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 281 Group:culture neg age=45; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 282 Group:culture neg age=25; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 283 Group:culture neg age=89; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 284 Group:culture neg age=67; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 285 Group:culture neg age=44; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 286 Group:culture neg age=67; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 287 Group:culture neg age=63; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 288 Group:culture neg age=82; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 289 Group:culture neg age=66; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 290 Group:culture neg age=79; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 291 Group:culture neg age=39; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 292 Group:culture neg age=65; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 293 Group:culture neg age=77; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 294 Group:culture neg age=51; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 295 Group:culture neg age=40; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 296 Group:culture neg age=54; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 297 Group:culture neg age=69; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 298 Group:culture neg age=53; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 299 Group:culture neg age=23; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 300 Group:culture neg age=76; sex=F; mortality=dead #COLLECTION CO:COLLECTION_SUMMARY Subjects at least 18 years of age admitted to Sunpasitthiprasong Hospital in CO:COLLECTION_SUMMARY Ubon Ratchathani, Thailand with suspected community-acquired infection were CO:COLLECTION_SUMMARY sequentially and prospectively enrolled within 24 hours of admission into the CO:COLLECTION_SUMMARY “Ubon-Sepsis” parent study from 2013 through 2017. Plasma samples were CO:COLLECTION_SUMMARY obtained from all participants at the time of enrollment. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolon standard protocol #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY HILIC (LC/MS Polar Neg) CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH Amide (150 x 2.1mm, 1.7um) CH:SOLVENT_A 15% water/5% methanol/80% acetonitrile; 10 mM ammonium formate, (effective pH CH:SOLVENT_A 10.16 with NH4OH) CH:SOLVENT_B 50% water/50% acetonitrile; 10 mM ammonium formate, (effective pH 10.60 with CH:SOLVENT_B NH4OH) CH:FLOW_GRADIENT Linear gradient from 5% B to 50% B in 3.5 minutes, then linear gradient from 50% CH:FLOW_GRADIENT B to 95% B in 2 minutes. CH:FLOW_RATE 0.50 mL/min CH:COLUMN_TEMPERATURE 40-50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE NEGATIVE MS:MS_COMMENTS Metabolon (LC/MS Polar) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 Factors Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control Group:control 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Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:melioid Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:ecoli Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:staph Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:klebs Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg Group:culture neg 2-oxoadipate 391635.5 247472.0625 367766.7188 186361.0938 138541.3438 383447.4375 367727.625 245440.2188 359697.6563 692911.0625 361930.6875 450758.5313 259904.2344 252238.3125 623272 209564.8125 224765.7188 272067.3438 214953.7969 352432.5313 535000.5625 596568.3125 310217.1563 160244.4063 385488.5313 182769.6094 224935.0313 158511.7969 102334.8984 182825.9063 156929.6719 245201.3906 411734.0313 102199.3203 322305.3125 259772.4219 145540.1094 115804.4844 114278.1953 112179.3906 98193.8906 72411.8203 88024.1328 111278.9375 277648.9688 102526.7813 114327.8438 197561.2344 3067171.5 12014885 78457.8672 494175.2813 6159445 2614682.25 4790747 173883.4375 4596751 7951046 208494.2188 441809.625 168259.7344 1123292.875 4694767.5 601926.8125 1222881.875 1118492.375 5464917 1458123.75 469401.9688 1254025.5 2563398.5 674037.625 16004622 3527729.25 2360634 206484.7344 5462043 118000.9688 1430213 1947983.125 201423.875 5117298.5 246025.4219 2833540.75 792552.8125 1942794.625 1226543.25 449889.9375 439347.4688 14467641 1370436.125 969094.8125 1472508 402237 1670891.625 404442.0625 613818.5 613723.5 1825896.125 463261.75 360816.9375 429526.75 448010.5625 2226257 1968674.375 5044716 161340.2969 11991033 1355156.875 1347099.875 312031.9688 1917845.625 56696628 1212275.625 145752.6719 1684557.375 719574 917743.0625 1276616.125 2566035 118358.1953 4133900 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460559.9063 628822.4375 1042381.438 83401.7344 359086.8125 315323.0938 3313792.75 695923.3125 571333.4375 139019.5625 809769.125 659472.3125 235322.7031 5465644 56757152 871851.5625 179385.9531 108917.25 822390.3125 1037899.938 1410298.625 89756.1641 11051348 537815.625 2691744 678664.25 365223.9375 12807741 181598.8438 371210.5 1513841.5 3575472.25 511868.0313 2202444.75 113299.2813 136380 1328739.375 346974.875 890759.875 236062.6094 211546.3594 302782.875 1043477 135961.8125 2036151.5 476577.6875 533155.5625 200250.9375 1118164 284154.3438 1166364.875 199599.4688 257235.5313 alpha-ketoglutarate 139055008 51341208 46247904 86108264 29286218 54331604 102412520 82328024 39221268 114970736 102871224 78163136 49678456 56135128 47039540 108122144 50669604 49937548 89149136 51361660 59121584 64290256 76883064 104959072 69408368 47776572 92529992 44806940 65926112 40708048 50808172 58663892 47074472 42168964 51823496 49645164 49062532 45547144 45581152 44687372 44713244 43848968 43503752 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58923600 63127116 37310900 265536704 401520192 66770848 284965472 238388704 160239744 51953364 38698888 86188344 167113872 74230928 79291704 92868952 48729484 81603704 279312768 130479240 51221996 97328688 99591600 52937956 43178620 70006800 133278328 76605072 80940208 87704912 40994572 112878624 42063620 108877768 80683552 61936016 46377560 59910468 95730296 57801644 66728480 71235616 31645126 258948944 417764928 79353080 43059512 115434488 217528848 134735648 96550344 72944704 294801056 98839376 75590920 104054856 79896928 48956416 120777072 179570096 172195232 129010272 31762246 122659976 90501512 65486908 49609860 472170848 163295568 154006848 75597248 117842288 74632840 90291944 153586576 68626568 68732152 92548576 142907728 156830912 48785128 137577712 203870784 105060144 166609152 135625648 71964656 72690336 51235112 97034176 63016580 67754168 100024368 36586664 149752576 67630400 188137024 92426056 44824168 58980984 49522452 191851552 146641840 97411704 60931116 69804800 302659616 67814712 36922608 106013720 133841376 79188744 23022286 404066592 90432792 48973604 144963280 41649556 656267264 37386788 17511662 41815072 166239776 51437584 174653424 43397280 78306296 71146040 43980988 115762056 100773776 31836938 54040656 51689836 269830144 116605064 107530200 50980228 85578816 113833016 73307208 85209448 103690608 131463632 324425728 43962544 122568856 102287328 102431736 86009504 3-hydroxyisobutyrate 8451609 10285111 10166807 10374199 4399742 16589049 6876518.5 10057077 7871333 13884222 8294031 12863085 9896541 6518612 6406852.5 13997498 3592304 15314688 6492840 7874855 2918670 13312345 9780506 5929024 6338231.5 9042128 6050151 10554192 5289251.5 7654374 4614914.5 4481363.5 7179480 4996656 7121819 5280045.5 11225981 12117952 8154503 4619793 4896722 6097898 2951374.25 3643979.75 10939759 5591451 9198280 4363525.5 5823810 6069990 48878064 65719784 10069690 5134149 60215304 13826986 3755681.5 1576658.375 7853963.5 35541888 26357148 42866792 40327024 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17624050 18855742 24498152 30190582 26815454 28842812 25050714 65124188 11084409 N-acetylalanine 6791836.5 4677755 5746963.5 7711142.5 4956230 8225416 4678469 7094120.5 7154429.5 11331143 6931779 7904310.5 7277641.5 5796629 4999140.5 7850270.5 5701723.5 8029657 7146497.5 8501261 6525285.5 7378774 10446407 7693654 10254747 7438158 10725643 6306479 9916101 9030036 7630863.5 5872256 10157157 8849791 10347181 5672981.5 8136368.5 10795392 8002115.5 6033614 6059913 9337327 5382900.5 7365103.5 11102089 7314183.5 10361328 7319231 6376236 7763450.5 29034826 22769168 9280598 19485776 41965996 30296694 7017504 8457071 5616620 37426568 18522932 9280697 30910644 9777664 35437448 5537831.5 28156304 8572190 24009722 11557209 28728148 8798543 10799122 10935130 23208666 19671320 7794098.5 16182548 17590800 30577950 29002892 25849316 30319506 25586190 11684445 19405126 6735827.5 26981328 11658937 7412375 15747974 4704766 19290030 23919940 15459036 22649388 25900750 26356284 31323028 7703279.5 10294010 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444587.7188 416109.8438 2824486.75 605753.875 methylsuccinate 894097.875 545679.0625 267670.1563 365366.875 140183.7344 646028.75 568379.0625 221591.7656 514617.0625 580720.5625 301185.0938 592867 646028.75 176551.7656 532328.75 251220.8906 261644.8594 288623.7813 297123.1563 686949.75 345132.5 950036.6875 722514.125 722771.1875 772978.8125 936101.5625 522644.6875 352919.1875 634570.0625 274453.25 583534.5625 672256.75 554753.8125 942052.5625 638283.25 489352.7813 402347.3125 763537.625 559338.8125 324757.7813 301126.6563 388228.1563 622177.5 310102.4063 322788.5313 287286.2188 405442.7813 671112.3125 211155.8438 789934.3125 3327214.25 1115096.5 446714.3125 581959.75 1144405.125 1648445.25 323627.9688 1019536.438 365358.4375 3276211 2674179.5 878713.0625 404723.25 577792.125 4465095 274340.75 1239063.375 624504.5625 880218.5625 1344755.125 707938.625 643566.6875 423238 330862.125 8138212.5 619984 630662.25 935082.3125 1074288.25 2295054.5 865428.25 1537916.75 1199647.25 690740.5 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2772385.75 1382354.625 356688.6875 242464.4375 1541173.875 3482648.5 7386212 1509772.75 1027077.5 11035123 2505528.5 2444539.75 1381816 7092610 367416.9063 1504746.375 1104552.375 5288808 1610365.75 2056879.75 4612485.5 716752.0625 698966.6875 1003182.063 2607713.5 2439270.25 4323445 114476.1328 632813.4375 907090.8125 480761.1875 1753849.375 1270665.75 3569981 7974051.5 778072 3700135.25 3672647.75 399144.5 130262.9922 299312.7188 976759.3125 753328.1875 5231393 395453.6563 798697.9375 530916.1875 375673.2813 25554766 4844280.5 1854112 151317.5469 457860.625 571339.875 221133.9219 416572.9063 1015705.5 423989.2188 437782.2188 1170048.75 1232290.375 1486237.375 1213340.5 523432.8438 171253.8594 1923102.5 1301222.875 11887054 3506533.25 1857854.75 2484086 8522851 781712 179188.3906 723340.5 460930.0625 3161104.75 6735609 1350698.625 3311374.75 8348290.5 2531234.25 269422.125 702426.5 2314412.5 1594963.875 367784.5 3303155.75 523534.5 713590.4375 1216400.25 446790.625 1029441.125 376635.4688 285804.3125 6062488.5 390728.9063 18227472 60682208 735676.375 1070668.375 5386600 10618198 2661387.5 1263912.5 768929.5625 2727610.5 399313.1563 5673022 12232565 2285734 5832881.5 58306.375 3989071 5044044 4774338 386795.5 2399454.25 5108616.5 1245035.5 1864197.5 687484.8125 14289369 835365.5625 2638832 1551772.875 1466522.125 43071252 1610349 159589.875 25242082 712036.8125 2954138.75 431443.7813 1907574 861362.25 157132.6719 346168.9688 118359.7422 657080.1875 661713.625 2296113.75 833320.125 6019408 13098134 104284.875 13966078 2389032.75 278414.375 180549.2344 1875417.75 2467835.75 334698.5938 455380.4375 8356960 2089837.25 2-hydroxyadipate 876461.0625 218151.8438 671542.75 307283.125 310777.25 274603.125 269154.9688 323597.875 75576.2266 94870.3438 104348.0469 337071.6563 196970.2813 546695.875 5338776.5 936811.125 3581677.25 1557639.625 652043.6875 3980893.5 1573864.5 3722857.75 1314246.375 3004835.75 1568788.625 408650.4063 4885859 456717.1875 3678384.25 2960777.75 6614122.5 2389972.5 677123.875 1800291 3136148 2800265.75 2221633.75 35470536 4757250.5 5089911 10419922 1736997.625 2994857.5 1695880.875 9492034 3832402.75 7090111.5 1617931.125 26935644 5614763 5268606.5 16064272 322738.875 622824 11616854 3991640 814033.0625 918512.25 681863.9375 2055114.625 701696.625 842039.9375 1952549.25 1532371.125 345395.75 1577012 818855.75 6173769.5 2216857 5950470.5 1320444 2930777.5 33460034 4518279.5 875299.625 1081123.25 1137692.75 1363527 8622820 55607936 34348608 223756.4688 2395923.75 923255.625 1569054 3354614.75 5839878 9997515 431331 2783893.75 3278603.25 1850093.125 682958.1875 563434.1875 1888559.375 4821597.5 14049939 1746762 4566332.5 2626737.75 2592334.25 86283768 2395014.75 61331044 2928969 5447092 279656.0938 2202990 2847257 676707.6875 1059371.125 6255070.5 2339915.5 1798346.25 2115218.25 4794599.5 515768.7813 1467020.25 329508.1563 3513600.75 959147.625 581858.8125 1688705.25 2062397.875 1192325 893459.375 723165.5 2443443.25 326927.3438 66786764 3027867.5 917474.8125 9358127 8571273 1661082.625 3134189 1677745.375 10322782 1008722 19115288 3298470.25 5063730.5 243200.8906 2919557 17966478 1412026.375 10287642 387035.7188 17385996 10039438 934874.375 3698902.25 11620973 730596.6875 15850603 3898574.75 1750488.75 719380.5 2565966.75 2608061.75 782913.8125 563592.25 174128944 3038272 3021880.25 849832.625 4701816 58654176 1320262.125 887620.4375 1260309.625 748510.875 388383.4375 3531067 1907693.125 1476069.125 2075507.625 2344655.5 822386.6875 8550197 11728415 5329952.5 307469.75 3702272.25 1270492.625 1064372.375 1672250.125 229528.9219 658364.3125 5878178 6252702.5 2633124 1525954.75 970946.25 5219158.5 2453477.75 12576951 266518560 796011.0625 1976268.5 975729.1875 1802235.75 4679330.5 4662196 438346.1563 9314691 1770057.375 1615511.875 8089975.5 281885.5938 1350209.875 6821581 7184066 558252 3078852.75 269280.5313 334452.7813 1491230.875 204595.1719 410812.1875 424464.0938 442032.5 761598.8125 1075168.375 1930952.25 248374.9688 1192904 2978497.75 903424.75 1457376.625 397424.8125 1723149.375 240463.125 3698789 1313158.625 3-hydroxy-2-ethylpropionate 1303076.625 1061648.5 762494.25 1060668.75 471613.625 1610033.125 555087.75 1764995.5 1051131.875 1205829.125 1183615.875 1031693.375 596793.875 416617.625 451336.5938 735921.25 299390.75 1075779.25 754966.1875 916961 752043.3125 1126277.25 1716835.625 798501.0625 827650.125 572414.0625 1275886.125 1174261.25 1312340.875 1299134.5 660162.375 301445.5 1746433.375 1098457.375 1396049.125 1364895.25 861635.625 398394.0938 907388.25 926989.3125 965485.375 360733.75 730009.6875 1553433.125 935340.4375 950400.5625 793643.75 884455.8125 3852733.5 5095664 965750.9375 2789315.75 4762302.5 3868284.5 545085.625 1187250.25 2975267.5 2576358.25 2218862.25 10916210 1064272.25 2398236.75 498302.125 5185337.5 5433113.5 1658795.25 4152790.5 1901334.5 1372637 1165512.25 1861622 3361766.75 441824.7188 2627266.5 3993643.5 2082175.5 2958913.5 5362030 5683498.5 5236912.5 1029387 3818882.75 1438256 3330694.5 1792436.5 1041811.875 1824945 757598.125 1602295.125 3439032.75 2317413.5 3696034.25 5492713.5 5175834 5467328.5 919147.25 861230 3610027.25 2369968.75 1409298.875 1340687.375 2712873.25 1202415.125 1085455 1253428.5 818148.9375 1413431.125 2757241 1940669.375 854013.1875 3728524 2905711.75 5328613.5 5561123.5 4615362 4976511 2510826.75 704191.625 6922597.5 4037995.5 4554605 3420808.25 2967148 3377206.75 9246945 3792226.75 2176920.25 1918390.75 4487382 2452356.5 1155026.875 8178706 1188561.5 1331439 3741403.5 1648299 2030098.5 7505563.5 5171571 1161066.125 568581.75 1782627 1158510.5 3148429.5 1066660.75 2013764 2823377 1370911.625 2698775 4930237.5 1745918.875 1824945 2028134.5 2543633.75 497098.6875 776267 1530131.75 3267041 1587174.875 3305596 6375727 3658327 3699518.5 1854624.5 1748786.75 1803409.5 1945466.875 5947364.5 2309569.75 880813.1875 1723664.25 3325649.5 2703288.75 1465704.5 1937070.75 2046245.5 1873681.75 1034172.25 2511390.75 8910225 1512177.5 2943849.75 1372801.875 1793498.125 4542460 3625719.25 3886247.25 1002010.938 3644294.75 2458596.75 2140687.5 795569.4375 4814736 4790314.5 515397.125 1668941.625 553177.4375 2212984.75 11206692 832500.1875 1505803.375 2404091 1756939.5 1353070.125 4121587 2994143.75 2244533.75 3307986.5 4010096 2811849 2916666.75 1199023.625 2672026 3918031.25 4600652 827579.6875 2490174.25 6889416.5 2619108.25 2115881.75 831585.375 1338299.5 1883228.75 1792854.25 1838339.75 787489.8125 4264914 1668192.125 4770494 5510330.5 1901742.625 4782384.5 12934012 2836237 668860.625 1744190.125 2510901 3310452.75 1398822.25 1892950.625 763923.75 3079546.5 5904533 2848830 1299768.5 2160130.5 1372001 1316674.125 2897130.5 7573323.5 860348.75 1889453.875 870811 2030811.625 3833738.75 2542370.25 957525.6875 18963626 1609215.125 1830968.125 1605528.5 2895445 3521806.5 922177.125 2455725.5 5112024.5 5022149 1121951.5 1447199.625 421649.3125 1083408.625 2136594.75 932058.6875 2245023.25 773131.6875 620694.0625 1312136.75 2303754.25 1098089.125 1720572.75 3553688.75 742240.625 3384892.5 2353719.75 758308.3125 1384671.125 1632332.5 1438270.5 925747.125 1226087.375 4753654 1462374.25 1532743 1843900 N-acetylglutamine 111060.8125 71019.6016 38931.1016 134233.9688 280214.4063 71779.2578 78321.8125 77940.7188 313555.375 138663.5469 123726.5391 113395.9375 100379.1172 49932.6133 158018.0313 115717.6563 190116.0938 83264.6484 206661.7969 107937.9453 276510 482705.25 158493.1875 234000.8594 151395.9063 303288.125 132376.2813 295797.5938 150647.4844 215055.75 173133.2969 336470.5938 255067.5313 228673.1563 177796.6406 363730.7188 328244.3438 276510 157040.9688 126079.6797 240669.6719 109481.7656 152374.5469 216092.3906 153244.1875 593237.875 143461.4219 135790.6563 276587.6875 1039375.938 1318612.375 155927.4063 253720.5156 1184604.375 837524.8125 116563.4844 48855.7031 1416181.375 693064.3125 88171.7344 814665.75 37462.8672 177785.5156 848402.5 52017.5039 1032485.5 278039.5313 7003173.5 106009.4609 191826.9063 111416.3828 725288.8125 544580.875 53938.332 290693.0938 114460.0859 1414051.75 536990.125 1206838.5 656376.4375 708843.3125 125732.2656 238928.3906 60378.1211 627573.625 62585.5742 301724 638797.875 648974 415218.875 694318.0625 2415876.25 1231453.75 636833 69682.875 130265.9063 284738.4688 725129.875 186803.0156 52283.7031 441739.5938 180486.4219 54669.8945 59486.9688 205142.5 257012.5313 620434.125 204374.5313 253000.4219 183480.9844 598676.875 210766.4531 1690288.625 284049.0313 292414.125 2605750.25 781915.25 40344.4297 2663813.75 722076.5625 898520.25 159174.7344 270673.4688 763822.8125 811124.125 361141.375 150331.9531 710942.375 103186.4297 87227.0625 196388.1406 144840.9219 95258.2813 839449.6875 365091.1875 93969.1563 3542096.5 337168.25 91663.6563 75923.1094 88944.3047 588823.5625 78881.8984 153160.7031 678823.875 126063.8906 681704.9375 2014074.5 182991.1563 413930.1563 526958.5625 175183.5156 119033.2031 112524.1953 176100.0156 249693.8438 154472.0156 1781852.75 358069.6875 447934.7188 232323.2656 258124.625 216663.5938 483184.125 343691.5313 1857866.125 347501.7813 265941.7813 182967.375 810740.3125 253711.8281 176450.4375 265822.875 161957.7813 1068971.125 165638.0156 1851392 1085101.75 204902.9688 402630.9688 182611.3594 617650.3125 603452.5 322222.125 528307.9375 180517.5625 661014.0625 229841.75 845127.8125 616226.375 878808.1875 1738755.25 171228.9688 1055724.875 145484.6719 946619.1875 1445670.75 94373.5 276510 146331.7656 165786.8281 715338.5 1017096.813 583990.5 181285.0156 154191.4531 883372.625 636904.625 230047.8906 217619.7188 2819991.25 507234.9375 250016.5 572938.6875 194372.7969 1647721.125 1123348.75 259478.75 95114.5469 49981.1289 846608.6875 634108.5 396240.4063 256318 2513045 90713.8672 1543913.625 1576163.375 321419.7813 256496.1875 1819869.875 1610427.125 194748.5938 473411.875 530465.875 515794.1563 310320.7813 352062.5625 206797.7969 707607.75 1486207.125 646130.0625 1456854.625 118952.2344 471564.625 1760216.875 1232433.75 174885.4219 1097428.5 1384709.625 1264897.875 115969.7734 174974.2188 1461912.125 285038.125 151183.4219 7664829.5 261468.2969 223116.1875 199889.4219 722984.3125 2436625.5 120338.1719 1057829 183833.125 1795990.125 73455.5469 283039.1563 98851.5234 494527.5313 120730.8125 93522.4766 68556.8047 105898.3828 78694.6172 357732.5313 880041.625 994644.6875 676295.25 832169 43254.7188 1683587.75 323846.4063 65372.0234 1240229.875 1016769.688 1367150.375 225525.6719 246738.2188 370058.9688 94229.2031 1292016.875 695650.5 N-acetylhistidine 57100.8984 49388.3281 74852.125 172278.9531 27254.6563 78303.7422 167886.9375 92886.5313 87314.4922 77012.2578 30700.0547 75260.625 58608.582 40972.6289 43682.8359 38923.9492 58398.1172 356121.9688 175589.2656 122786.0625 149853.7031 68795.7188 266891.2188 126305.2969 178932.3438 104022.9219 71634.2266 176644.2969 157677.5 480748.0313 41012.4805 190673.5313 84674.4766 119499.8594 143696.3438 157064.9219 269245.75 102411.0078 111758.0625 309849.1563 123967.7578 384717.6563 119949.3906 177050.3906 128666.7422 760787.0625 262617.9063 97984.0703 93716.9141 458394.25 402046.2188 32047.5039 626143.9375 232839.1094 464200.1875 27676.543 385747.2188 28219.4434 252390.7656 76842.4531 1326859.125 28659.9824 66939.625 273210.9688 325905.0313 63218.7109 199311.6563 628895.75 501415.5625 384717.3438 278976.25 365747.8438 28395.9473 127249.625 403533.8438 72115.1406 409011.1875 352527.3125 193729.5781 230259.4844 574074.0625 580556.8125 271628.6563 82592.9141 65255.4336 365778.9375 92903.2734 181297.3594 45519.6133 53786.5586 113296.7891 301506.4688 103654.1719 135883.4531 126674.6719 151883.0469 99285.6016 2140552.25 76803.7031 101607.8828 497951.5 469233.6563 510870.6875 295390.0625 144616.75 62470.6094 479069.0313 524305.9375 680603 61023.1836 304505.5625 130048.3906 449074.9063 77070.875 184578.1719 69452.5938 89955.1641 1125734.875 201223.8906 56329.7773 690759 282050.6875 64867.3125 49195.8906 517430.2813 44144.5625 112720.1016 440913.5 263399.5 1152065 99978.9297 81013.9609 137716.2031 160569.2188 59850.8398 77120.4141 79597.4531 229269.5156 72953.4766 1323047 236923.8594 408444.8438 59006.8125 171875.5313 145795.0313 95571.625 198545.0313 1390451.875 91767.9922 77549.7734 75856.2109 309050.4688 101300.0234 70681.9375 171070.0313 1142232.125 65098.5039 1358657.625 427418.2188 55538.957 340877.6875 68331.2188 300834.0313 364457.3125 193816.625 391203.8438 59619.6523 421911.8438 186981.8281 1387349.125 235364.875 681511.375 3508473.5 58208.6563 1469709.875 360154.5938 275511.3125 40680.3711 185780 172876.8281 79868.1641 786103.375 607932.125 225768.6406 110859.5703 100222.2656 539015.625 392411.75 60206.8047 44999.6016 1793784 352246.4063 173064.5938 442018.0938 45047.3047 1392385.875 824372.5 79397.4609 554103.375 321525.4375 247918.3906 190262.6406 1081252.75 108540.3203 1610212.5 1139539.375 401959.7188 189952.4375 2452194.75 1064520.875 108943.9922 250779.4219 530984.125 268799.4375 303582.4375 233349.3281 80714.875 400216.625 677411.5625 300726.3125 1481390.625 420755.875 3060721.25 1196332.5 269762.7188 1328322.125 1763479.625 1570833.625 79412.1406 3235459.25 174567.9063 50825.2344 1953438.375 175009.7344 66605.2734 103081.1406 441900.0625 1280926.25 71836.0625 914656.125 60801.2969 1330874.25 133196.1719 135540.4219 68392.2734 375894.875 78063.0313 20457.1348 73090.4453 26198.0293 129244.2578 318722.9375 598313.8125 424792.6563 479506.6875 1767028.625 141163.7031 66311.5859 546301.375 502583.6563 1465893.375 180069.9531 412196.3125 212495.3594 85373.5547 1875280.625 1036976.063 alpha-hydroxyisovalerate 201895152 127277032 63348440 78394328 52448840 217364288 38984480 40412464 82337328 180358192 56231336 127465832 80893608 54749400 210964848 104903632 72115384 92903144 40540424 96543336 36100172 43691780 138045152 286743584 354856096 28478114 74832880 171309392 88187600 140849696 71357464 38418732 49255516 39244728 103388928 56433784 98587144 54887232 60585168 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612141312 363893632 616047808 55121840 359924960 2040920832 945296064 176853072 1088948736 918785920 1106919424 81999872 197289008 472067680 196026416 43605328 603946176 321857152 133053120 159257680 303175680 504815968 146277424 1000987520 163961424 892729088 110166672 148377248 72200720 371037312 134115920 75039552 175946400 87760592 52928620 226646400 427026784 481206560 347930688 512775808 89706344 631221696 253487008 90597528 399171392 227525280 1216640256 104224168 521049568 252034672 98601408 1255919360 667174144 5-acetylamino-6-formylamino-3-methyluracil 563621.8125 318817.0938 96842.8906 689333.6875 254830.3594 535094.25 658006.3125 2085466.375 208203.1875 146832.5156 86124.3438 617432.25 175209.9531 497386.5 523656.25 1301143.25 214619.7813 2721131 1157528.75 992860.25 1758998.125 2097747.75 963746.25 440833.6563 718075.25 524554.6875 9910459 1273419.25 349161.625 562535.4375 635016.8125 619372.375 324115.7813 1026255.375 143414.8438 127383.1406 860893.875 431280.125 702067.625 317329 775777.25 140994.6094 97792.2578 28829.8828 469046.25 177452.8438 315840.9063 169289.8281 244649.4688 46458.9258 121970.3672 274410.7813 308554.7188 255096.7969 421196.0938 1099877.375 169555.3125 288877.5313 79067.5469 326103.25 288523.125 202473.1563 159403.0313 464625.0313 239956.4375 113781.6328 179368.5781 118767.5156 190779.9844 96464.2109 211515.9844 144157.0156 368121.1875 142280.7969 185842.5313 237198.25 81064.25 858752.625 184486.5469 532917.3125 779585 745472.3125 185441.8906 369820.4063 8571528 290803.6563 2433653.25 246067.1719 629769.75 202950.8125 166953.4063 102538.5391 88292.8359 436804.2813 1059078.875 69598.8203 1806687.375 959075.25 74652.6328 5-acetylamino-6-amino-3-methyluracil 1616604.625 1615823.5 655936.8125 3782197.25 264214.5313 1090435.5 1725811 3322606.25 74978.3047 10561842 2830550.5 2095356.625 1642361.625 498539.875 237123.6406 3041736.75 1364167 915799.25 2801761.75 3507499 7329489.5 647301.9375 2786926.5 2352712.5 1439660.875 3910465.25 3400560.75 2165587.25 462849.375 3406525 3755705.25 17137834 2060331.125 170497.7969 2392503.25 2677110.5 3119538.75 662248.875 1601709.125 608907.75 857782 191977.2969 1389337.125 209450.8281 857782 570671.5625 917444.625 83357.0391 488552.625 308379.0938 1909151.625 184109.2344 494582.5938 277475.875 19517096 1097566.625 237190.7188 1068989.125 112256.1797 857782 78505.2969 618859.4375 62333.0977 231791.5 615884.5 163281.9219 279536.25 184104.6094 1881897.25 1888008.875 184204.8438 228426.4531 431749.0313 661432.4375 52741.2227 191945.8281 882568.9375 599244.625 101904.875 309841.625 5107102.5 498856.25 158168.9688 193067.0781 134378.9844 19015696 1178958.25 186705.0156 1446649.875 417504.625 211509.3594 123681.0781 5341668.5 1323738.375 5221069 2216605.5 116466.3594 4670935 828447.875 49168500 114278.4453 11233398 105176.6484 67034.1094 2776781.75 113155.6172 2909411 2837300 333171.375 9178734 63590.7578 19521778 225327.3906 2273851.75 304983.6875 orotidine 136247.5156 73300.9297 149004.6406 212854.3438 327968.125 193510.7969 240652.375 134742.3906 211508.5 207387.2813 119657.7578 180805.1406 228479.5156 120063.4766 276834.3438 652301.4375 406665.875 9762055 253550.4844 492871.125 299217.6563 517877.5 599796.25 307792.9688 183724.2813 561364.75 331720.0625 380537.5938 192567.0625 275733.1563 1296920 301087.5 449904.7813 292455.9375 749748.5625 322604.4375 410479.0313 717026.125 414420.375 649962.9375 557322.0625 456409.5625 361431.875 8364567 3804383.5 353166.4375 563466.4375 3224519.75 2013979.625 8309962.5 1022944.375 259461.4844 2179414.75 7432911 4946968.5 115745.6719 3472760.5 606930.875 3301188.25 196843.75 5425754 1849558 139296.6563 692533.625 790175.75 3688203.25 3687364.25 2483460.25 3280800 1807477.75 327564 2870976.75 116614.0625 455685.875 76989.0781 1408267.875 2892169.25 947033.875 948986.5 10236475 3389650.5 4647066 69342.5156 1021951.813 598193.25 1695578 4960214 29784208 458750.5 110546.625 141104.2188 790095 2456015 494343.7188 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324602.2188 8163568.5 1938573.75 1750914.5 418888.625 387510.75 3541267 3196867.75 420585.6875 416396.25 11561181 2694760 994000.9375 1766062.75 304076.9063 15935301 6585692.5 615212 223890.1719 333179.75 2688748.5 1995599.125 979880.625 794097.4375 6717849 872497.4375 9186148 18338440 4421182 1101638 19524662 12477511 345547.5313 1769078.25 5979992 2262664.25 2906123.75 1630523.625 766462.25 5452776 3221369.75 2643607.75 6718410 126534.7109 61233752 29458450 10436781 618485.375 2728839 3987597 8376421 240392.8281 1026460.188 6095796.5 948986.5 261096.2188 6872709 3386835.25 217394.4844 803844.375 1499626.375 5074724.5 716118.0625 6753106.5 334773.375 9983034 906568.5625 1079531.75 598181.6875 3216327.75 548326.3125 261019.7188 664314.8125 274365 167424.7813 1180935.625 382017792 1744870.625 4385212 4709009.5 7616169.5 2349788 220868.9844 3011640.25 1178479.75 11239672 851517.1875 2634969.5 1049973 542046.0625 247700768 7961726.5 gulonate* 3004243.75 1723490.75 1542860.75 3119141 1790157.625 13060860 1552347.75 3146630.5 1974686.5 13424102 1073948.5 4098865.25 3010991 1444290.5 1734299.875 3976765.75 1799778.75 2202575.75 2096645 2973159 1984592.75 4409699.5 13049630 2243686.5 3844817 2127374.5 4123619.25 1892092.375 5602516 4436932.5 2454462 2270140.25 7721499 2083813 3171039.25 1293029.375 3878764.75 3935003.25 2335394.75 3178863.75 2404123.5 6259036.5 2275136 2925576.75 5385229.5 2654023.25 9787115 2279123.75 9154172 3127195.75 2738297.75 32424450 9920050 8821990 45788004 39996980 1878762.25 4829352.5 2149832.5 18057798 39359948 6985611 61736772 4883623 96982832 2237970 44356896 3282932 22283302 6278095.5 32851508 5734247.5 5567103.5 5260098 90619392 20541294 3641982.5 9895738 20324170 49012020 91003208 30485724 45728824 26885278 3927688.25 9743012 4318338.5 53899568 6475310.5 3209614 11668973 2214057.5 33114414 29687926 21243394 17769472 112031632 33702532 37485536 2877763 4839803.5 10157500 20950096 10142973 4255603 25346824 7641718.5 3617981.5 5497201.5 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15129031 13774461 9672624 108012392 45041532 3625362.5 3653671.75 2575015 32667620 20084114 6923914.5 4731532.5 39728800 5710650.5 38340656 33396966 17066022 14543943 128838872 95053872 3370962.75 16727637 23862862 14387435 19629884 11487696 5643716.5 25503590 34425712 30883094 89739472 3021674 35944276 313105184 42598384 11793928 58028500 40341848 127433592 3896472.75 8008043.5 33941288 9729870 1515636.875 120798144 21504526 7585800.5 14704830 13422068 43188760 6945393.5 58047836 3629243.5 65709084 4491659 8485329 7461020 27086712 8542055 3109883.5 8176597.5 2754653.5 2268629.25 12399186 67521008 31444948 25852428 43890616 4194588.5 44254540 13794033 2819577.5 34086732 7708991 133357016 3841707.5 31742166 11947305 4946101.5 187803296 43988364 "3,4-dihydroxybutyrate" 2714529.75 2483548.75 1966911.75 3356708.5 1672085.375 2552390.5 1876360.375 2575761.25 2292262.5 6884060.5 2819304.25 3432213 2947855.75 2209944.75 2477817.25 2940490.25 3056350 2809191.5 2155686 3291429.5 2938945.75 3124570.75 8862234 4093223.5 5399663 7651112.5 3498312 4365383 11680917 4438291.5 5277852 8053603 6831935.5 4443867 3235840.25 1946147.375 5176888.5 4408006 4095077.25 2594888.75 2587330.75 3955652 8844019 2450687.5 4383084 2838586.25 5190078 3584045.75 4945050 4793761 16543736 11252274 5332900 9324364 7915760 7424652 5437462.5 10319731 4219795 8117679 6436833.5 5736130.5 3216189.5 7363333 13032689 6084625.5 15640323 5508184.5 21336682 3988849 10252199 6723172.5 6276128 6091169.5 7220994.5 10349552 5270222 5886067 3251699 12873252 16022674 6854425.5 6564110 16594866 4657217 5085030 5001769 11097751 4299424.5 9566192 2653424.25 5372705.5 2295307 8633572 8576349 4735150 5101045 5796006 3117865.25 5154090 7072273 1864432.625 14583852 7833835 5329072 14182105 5707948 6481969.5 9026837 6187776 8639413 9703570 6841146 15843938 9080620 11201024 13716819 20094382 4198484 4832442 5453022 15105263 3533375.75 8006058 3905532.5 7463087 7056283.5 11886231 9508200 16307548 3303506.75 4524741.5 10121106 2609703 877891.8125 1803955.125 5612452.5 5749196.5 8620147 6858069 7570948.5 1168682.875 5591579.5 9269296 3655662 3533410.5 2713130 7170402.5 18832010 12709932 7050797 29786720 1886430.375 22560018 16534796 9565761 843865.3125 1731472.125 7381169.5 6391969.5 3368724.5 4532712.5 16346132 5392119 6659449.5 12875548 16306764 8512585 3895387.75 19930674 2470633 9991016 11511633 5076451 7255971 7856587.5 12868845 2534616.75 1915785.75 8912484 5125201 17349090 5521632.5 6528213.5 3522953.75 3518666 22033346 9471433 3237528.75 22924356 3215575.25 3457388 971376.875 3114824 10650581 20936720 6478657 10145706 2646246.25 580347.0625 11655497 2991714.5 4004443.5 24381290 2887370.25 534837.5 1297430.875 835614 18545188 1357785 5372775.5 3624082.25 26712860 6016850.5 9509543 9833349 4827007.5 13978916 6471406 8131335 1277547.875 23217988 18912820 1395731.875 3025989.25 2928181.25 3721842.75 4246301.5 8743879 8624167 6791602.5 5911630.5 7841916 19744424 7202277 7753431.5 6753843.5 13120184 3176021.75 8988608 12527997 13549552 5863118.5 5675913 2440847.75 13356839 7134874 11682273 6481217.5 3667679.25 4670355 10853996 10516131 2868065 1984201.25 7080762.5 11008454 4257882 5666699.5 7812676 473880.5313 2244935.75 3819555.25 9461019 7704037 4434633.5 10932864 6459460.5 5430145.5 16946552 3704600.5 11738283 1728975.125 5739983 3819204.5 9867662 2969754.25 3987285 5355837 3172136.75 6049592.5 10241286 9978702 6700073 4985634.5 5007124.5 4278483 5069862.5 4953282.5 3502255.5 4364860.5 2205197.5 12658303 2989628 10058438 5301551 9174930 13846989 7304608.5 mannitol/sorbitol 2354784.25 1515809.625 1100435.25 2332368.5 1244346.875 24995358 2356010 1430691.25 2099472.75 9431729 2054244.75 2343456.25 2049457.25 1824863.375 2358788.5 3235538.75 1412334.625 5341324.5 1624002.625 2311815.25 1697827 2242716.5 9541577 3099350.25 4622035.5 1389557.25 2391354.75 1726767.5 4837450 2152393.5 2833235 7695536.5 8941313 1780286.875 2837103 1924118.75 1909047.25 4217873 5455058.5 1371416.375 3098684.25 3278793.25 1936370.75 3872085.75 2978026.5 2375512.25 4321383 1464780.75 8369933.5 24038208 7190137 6077743 10533919 2450060 20123280 40496712 3159726 4529265.5 2772550.75 22815348 8364722 8991193 25195604 4390182 23928474 10334532 10376046 24491576 11695657 3813438.75 10358248 9813359 9356904 5312912 10284654 8893561 7731276 21584196 15036378 46558452 10608162 8682885 11804861 38309280 10715413 8817449 5754642.5 10848987 7965085.5 9203323 8184507 9315966 19396828 13949327 10916000 11410182 11168885 11096418 10323677 6647690 5668297.5 3850294 6230812.5 3440210 3795778.5 6761897 7588428 3473391.5 3435539.5 2505055.75 2407789.5 84112392 15608330 7203130.5 1819522.75 5769125 2715891.5 13346093 4900544 3572972 11401867 21359616 1459181.875 8220357.5 118706576 6699866.5 5410741 6546888 9263690 21629712 3086767.75 178237216 9248783 18882764 3900009.75 4842496 8306145.5 3897251.5 4799670 181507488 12054791 3004216 7145265 72771248 2620612 3086444.25 3089099.25 1982859.125 13517937 3875124.25 5821878.5 11533854 2622650 7504495.5 34125140 5230721.5 2698744.75 16053126 10679597 9296315 4551177 4794805 7781442 3013678.5 124088544 9661325 18164744 3769017.25 10788251 4361265 29974402 4452949 30517718 2481980.25 5925922.5 35196880 18100968 117206688 2688624 7963063.5 12351106 74665352 3287129.25 46899840 7672360.5 3225153.75 6965452 6671867 27367284 10779530 6606102.5 13769531 2060061.875 23938140 15335905 43555480 4398937 73670976 28926236 2756870 63579324 2962280 145779584 12028082 2706991 5081970 4364178.5 1995617.125 17581600 10263990 68071000 7001136 4318038 16865810 14173906 3091878.25 4478111.5 28987276 8405623 7947161.5 6812671.5 4187188.25 18010892 58308620 1415509.375 5768091.5 3914952.5 18432754 17301958 6164784.5 3752439.75 363645088 1944453.875 67815120 22197030 21828012 3418985.25 19784730 14773125 1953951.375 8853010 61152248 132860216 7588428 9598582 15283291 22206970 14982093 21143220 20442536 1575552.25 9128342 93957048 14716372 43174048 9013428 29462998 148341776 2642804.25 3962409.75 16812674 5509499.5 995886.625 6236995.5 28946558 13412582 10351031 6942880 36939228 3830898.75 18690844 3805587.75 29692652 28431610 3156373.75 2933935.5 10130525 4605680 5462776.5 5337000 5121708.5 710326.25 4978374 14680955 7375743 9267745 23818052 2558856.75 6853995 9639390 11252271 243903568 19523382 20827498 28117864 7333702 7919457 2052925.125 14540219 21065754 3-methyladipate 240029.8125 441145.6875 65802.3438 40793.7539 65997.3516 121895.4141 69124.0156 356744.6563 265677.6875 93711.7656 95755.4141 190220.0156 384226.1875 140560.0313 316897.4375 129154.1875 588342.3125 189668.5156 380609.2188 219903.6719 177053.0313 169370.75 255172.125 205779.7813 328413.1875 119691.3203 153847.0156 244323.7969 113633.0078 282360.1563 86127.6016 123982.0625 94097.4922 5594369.5 821003.9375 1507265.625 1245508 2240558.25 78197.9844 94932.5391 1033600.188 713112.0625 247437.5 746785.6875 220733.2031 7305718.5 1695250.875 239561.0469 361721.1875 610292.6875 66961.9141 328420.0625 4382191.5 421554.875 241907.7031 319400.1875 518501.5 784666.25 2520340.75 1801600.75 1803883.875 733351.5 763586.1875 1762635.5 262390.4688 261590.5469 885032.3125 1451870.5 1434225 1629785.375 5968763 3320677 1099105.125 184725.2969 484848.3438 709377.125 172329.1719 75880.2734 470937.7188 610995.3125 213161.8281 1006943.813 511394.5938 165463.7969 779565.875 602315.125 2811772.75 656015.5625 517920.7813 1141198.375 5688459.5 744901.125 496407.9688 663720.6875 228704.5469 121657.7109 1329068.75 2818218.5 515871.5625 2556493.75 993832.3125 4146363 207269.5781 378939.4375 2207515.75 228966.4375 512360.25 2854624.75 675951.9375 657433.9375 1724363.75 412302.6563 438132.5 495280.2188 1414245.25 676917.9375 416911.0313 2142345.75 1016858.875 1907009.875 4394221.5 1082558.5 340692.0938 1653184.625 1144062.375 241274.0156 270407.8438 700736.1875 514557.8438 2372769 543195.3125 1158059.25 464611.9375 424826.8125 318210.25 280820.625 160805.3438 7848582.5 831714.125 152876.0781 190132.0469 889163 341130.25 251541.3125 338255.9375 636515.3125 3806752 259342.0313 5506350 2354714.25 295080.5 1486485.25 385593.1875 1781065 971188.0625 1319801 1033064.313 264840.25 1718862.25 497242.6875 11912138 105464.4375 3624845.25 11743265 14097379 2019305.625 1543353.75 66305.2266 349442.2813 378299.125 1200435 4184404.25 1142582.125 310649.7813 1106402 3260453.5 1833318.875 481570.1875 299519.6875 3229649.5 1468924.75 935625.375 609599.3125 83716.8438 5617708.5 911127.125 575067.125 302141.3438 958968.25 252483.8125 81270.0938 655869.875 1587175.5 462561.5625 4171176.25 3162053.5 849976.6875 640433.375 6166418 6407297.5 343980.875 3488584.25 1029787.313 1373214.375 610644 483045.4063 3545868.5 1898100.375 1655510.875 3979809.5 210154.25 2457482 11855608 7610255.5 350544.9375 3441801.75 1143595.5 6960116.5 248623.0313 1320998.625 329469.1563 99565.2656 4083552 582487.625 345797.0625 380271.5313 1172908.125 3036836.25 386271.5313 1237449.375 289949.375 7676256 173873.7031 231690.6563 680240.9375 812881 679035.25 2508468.25 499101.9063 2245118.25 1032491.813 138468.1719 515319.3125 343943.3438 251472.75 221338.125 8613316 164527.2188 772319.8125 611688.6875 306633.5313 12988011 1386830.25 N-acetylserine 5535684.5 3909524.25 4523570.5 6888869.5 5006741 7174785.5 4947302 6088142 5723882.5 12780093 6423253.5 5966159.5 6916628.5 5234562 4367503 7360395 5591924.5 6020485.5 5267414.5 8410930 6029532 7930687.5 13846888 9260896 13135502 8124761 11974799 6431291.5 14055520 12594259 10290935 6920669 12916463 9686480 11496432 6583851 10790441 14551451 8693078 15823683 8617866 14616718 7267096.5 9923053 16140467 9695744 14896541 8410562 8905087 9160392 70812496 41477980 11882175 28266700 98563408 61513808 8724539 9151934 6201297 93478776 32631964 13002778 74747008 10999813 98329288 5048372.5 58130336 11302564 51722172 17538896 81465976 10098176 15955319 15339827 70079064 27357116 11023084 20344852 35878040 60114840 59658192 62083668 84826824 40311468 16349273 35657236 7325540 42123608 17083164 8200794 23906200 5833786.5 49351860 57020888 30422582 55757540 65289824 56758000 58619412 10572480 29839190 28457662 46262624 17694684 11371614 57204456 18211522 9383794 9579781 9502227 18282894 73187360 22633994 19951832 20546688 23780086 25716652 76449840 22510340 24834784 62356184 86621792 10406752 50629968 63623336 29485064 21070150 37079336 42757728 85110968 28073030 70330320 20865074 96396640 18323000 9187365 44501400 20906258 17028936 122360640 27330906 22612782 85660280 66659740 12640817 12123452 13910974 19920620 93190992 27074428 34498964 64637664 9542984 80762744 133385072 27409200 14247906 37129312 35952584 13624992 14715434 18383006 35178652 13722226 85385336 33494186 59133780 22128368 40779932 18369638 22186406 21816700 107453776 14280133 16304799 14953088 38717324 31093160 10663050 32673012 20177996 85535120 22063536 106827504 64324740 15290696 43544648 23154372 68000592 57760192 32021572 73778656 10226731 72729384 22048056 134702816 14234181 89211464 148022448 12980367 98448752 12694090 67741136 64342432 8668088 23906200 22216756 15841195 51997420 80206736 45411444 12296591 18306790 60399628 61041260 23671690 13653805 119565960 76441176 34510276 28642026 23638816 132327536 59928948 25129776 11378095 9972079 52588608 31182780 29327720 27960008 61803576 24140708 97223472 87068280 47784724 35439716 126222440 88870640 10607565 38384648 82866496 43200584 29372340 20397324 14810164 59159236 68865968 40017336 65821468 6117174.5 53798464 150700560 69048352 28731362 153566816 43365912 94887064 10957952 16370194 80320104 28325964 7652675.5 108089320 35314640 21865416 18829092 35138668 52383864 16737040 66403880 18055538 157901232 14181535 25499558 18529098 39807112 17481762 9217212 19797530 8411179 6695863.5 25764026 57295492 53303244 67960000 68093496 12023766 65761036 33551112 11980065 46414812 24313054 74379264 13538445 31418996 29880952 18559906 130468008 67737928 chiro-inositol 703349.625 332922.0938 260994.8594 783406.5625 338232.6563 2357836 925663.125 1345798.75 273883.625 597376.5 2247888.25 913573 3138394.25 3500384 945670.4375 2641899 1799625.75 395316.75 645618.375 1404792.5 2096930.25 1253930.5 1120828.75 700656.75 856386 933515.8125 5934887.5 2988783.5 362392.875 936944.6875 1434262.5 1255959.75 1325535.375 545889.9375 721664.0625 21485804 8608628 524764 532702.875 906108.4375 4429865 1178422.375 413590.2813 636186.375 333532.5938 1113281.5 1839849.375 317026.875 692904.875 13113714 270918.8125 496984.8125 949176.0625 2251088 669976.4375 1662546 1482782.125 968997.625 467050.7813 560577.5625 1463333 333383.5625 264457.25 655525.9375 256176.3281 344553.5313 2804360 1799641.125 2673926 611605 518532.4063 746278.8125 558998.25 720439.6875 1571701.625 114101.0938 5314230 6401297 573669.625 408727.1563 3346154.25 1196886.375 856386 1511976.25 978268.3125 694571.375 337412.3125 687700.3125 1343660.25 2179665.25 799199.0625 2251724.5 413500.1875 1215791.625 770319.8125 8084376.5 176244.3906 2782338.5 2610584.5 403424.8125 1567623 3430818 847157.6875 368432.5938 615632.8125 1780620.25 327349.2188 333823.0313 550986.875 818838.75 1089220.75 3092008.25 1408028.5 346732.625 651572.75 277523.375 680329.6875 586731.8125 "2S,3R-dihydroxybutyrate" 10070815 10889869 16342352 14291282 8245094.5 19015144 8030831.5 13464032 25356790 55303304 18780858 12001491 30705228 5878544.5 19705250 13587497 15214005 17159478 13343178 19026734 12672431 12298888 26888844 30642160 15989426 11175504 10201084 20304610 31112122 11667204 17654046 10491112 17728410 16915414 12018369 3917690.5 17991576 13173756 8016133.5 10549261 21693040 8156542.5 11332792 29435724 39796200 18127118 15040404 8579026 7885323 7405472 133118768 90546624 33858520 72391072 80366056 119159088 10018987 33061330 22854046 146201456 208707936 91183088 374138240 31927104 105705456 19939800 101151992 15808393 76248504 27362508 182042256 40533632 60028048 38862928 104975840 96051528 36814448 44410548 115952512 129711584 162748256 122336920 171445984 100025520 8372788 77875744 39036028 111043368 27041862 16128177 31036448 16424959 43842420 183792080 138177440 121308624 245755312 310445408 212170704 20159690 38325064 73282152 151250592 87910856 19738782 124961104 59028436 50038304 49065792 20453022 41575072 69337448 77714528 54922652 30864620 38038840 46057360 269540736 113825952 63440812 171611088 102539616 14146128 240000064 91565344 51174364 51291240 51251056 91212600 315937632 52238036 80099288 75239600 160203072 76505792 20341662 148368288 95575984 27081158 219819552 77472040 35636876 326170336 110620936 22162960 23883618 51493020 22139148 199935472 61707332 131591664 111717440 23914266 36987908 241038512 62008444 20510324 35440724 96632992 25181582 44567964 118951624 76155608 77135976 145767248 170333024 183613632 99676264 67067468 37804116 44734576 36053008 213405664 60441048 32358950 41417556 59586404 66791152 88674392 113021560 16052648 106945344 21586932 167885552 268847520 26282502 112570584 51518884 137808544 114680584 135612704 336219360 37519380 224474528 34286980 100378048 20887928 139824192 275847488 27593822 206030560 10954817 51089460 235080064 12804234 50840192 54203232 31774754 59039008 178329792 53951632 40320880 51152636 115011720 184344592 76999592 26230700 178377616 156636112 192796448 37922172 82159784 450216256 145948128 57978060 37586336 15675730 137947040 34426420 50899244 59461964 62743644 42988132 206609104 157840944 46191596 261741408 468006240 130348288 40680564 111325104 94938088 28246480 51291240 14579620 53622432 85493968 196921920 92855120 109744144 15693100 84798832 326748896 44917948 33185466 772128832 34443712 162634592 20475112 11407119 71578912 154976560 47177164 341766496 60326296 20624030 76186520 114059448 60134148 21403124 40636452 153941360 118497056 37349464 19403594 16367681 79205872 48414164 41502748 39153196 23473370 10878131 25025944 59314052 68160760 57590312 71394256 20736524 65429860 95671808 65962304 32314872 45922900 80140408 38569784 48855968 122265624 30638492 166363472 39367272 "2R,3R-dihydroxybutyrate" 8439080 13181482 7281820 7889014 6680752 14749716 8180302.5 9453393 15641519 53659676 15062630 7232168 14928956 7262863 5026915.5 9461516 10945120 10164749 10510652 19524676 9206142 12855042 12304385 12071781 28297386 8244056.5 17000412 9122841 11710650 8212466 13708741 9931661 13138491 9567506 9313491 17610206 15552027 21845376 13710054 10794227 7876944 11896436 7086136.5 10564949 17179058 14510484 16097917 14222079 8938238 9111309 34141036 56417696 22575282 11039460 15624540 20680828 11249152 11670292 5293497.5 35722904 18881280 5786628 60194008 7085329 27176124 4425832 33275170 6167590.5 31694688 6055481 22853112 6361855 8911759 4626640 15837705 11818427 6195183.5 11884686 23249062 24941814 34992136 17746766 25242190 27475794 9903652 16414055 4678719.5 36338576 4061206.25 4171856.25 10499475 4174053 7378611.5 39064048 10245325 15283314 39007256 32829952 28045388 6317589 11090166 9335096 28178508 9845067 6288944 39200880 10484202 4842181 4694505 5186592 17538544 18813202 11296068 11517309 9470578 14128660 9597506 49506404 11426384 7227749.5 31754016 30333988 7593524 25722504 14634198 16233351 5441750.5 15301432 27468400 42447604 8021638 54199036 13224476 21419062 5586808.5 4437419 14779937 6296438 13125038 41492316 21031220 3459621.5 32850250 17954494 6029517 8303544 4984472.5 10737513 31033446 12601562 17837110 32925298 2414477.75 24079284 30516064 8262120.5 6855922 8029876 13000346 5256561.5 7907958.5 9238575 12349965 3625120.5 36139180 15826967 52553900 12550821 10692807 22900556 5307843 16150726 27424404 7114293 11946825 8837970 18441080 7248454.5 4483066 14037277 5634402.5 35207968 7510467.5 23457106 48927212 5844600.5 28101176 9842377 13281571 18808562 12925184 23592526 2922547.5 12857111 13573362 35989860 5617458.5 24872418 21932028 4647011 25809468 4297348.5 8747119 23782696 9452026 8181413 6547017.5 7952502.5 39247556 27721042 15343937 6803169.5 4744913 31534636 28513680 20275512 6148737.5 33572312 22386874 18394392 33353568 5654740 84826880 24600600 5386174.5 10492947 6521763.5 16949692 18155588 22603484 22855560 31661548 7976982 33165172 40710232 13684226 17267908 86994376 35725508 5720897.5 19946432 27239642 16671740 15028137 10899532 5749521.5 13137078 52808256 36713136 73202864 4996581.5 30113270 69858024 38053828 7057805 67844744 14498782 115717000 5495571.5 4339486.5 28742674 13181482 7322747.5 52188404 19567696 7776255.5 10840823 15778806 28940542 6552679 18206026 5028206 47043496 5880474 4581898 4874717.5 18898158 7645251.5 6722147 18841822 9533014 5167148.5 25326422 34054340 10652072 22253744 31500342 7240371.5 26867350 19027058 9209524 43266392 18286180 35058540 7036593.5 16188974 19703490 7993375 58961656 24007582 alpha-ketoglutaramate* 2197989.5 1630275.375 2688543.75 2659808.25 3622920.75 3340375.25 2003425 2189911.75 3770175.75 10578701 2545967.75 2234699 3760605 2288909.5 2279317.75 2504061.25 2936773.5 2446422.75 2711376.75 3859128 2717506.25 4836916 2682722.75 2797876.25 3330351.75 2304979.25 2265304.25 2327590.5 2846582 2569021 1909816.625 2039236.125 2943891 2459840.5 3054152.75 1447636.5 2148552 2891670.75 1614036.125 1943309.25 2244623.75 2012893.25 2261849.25 3026044.75 2568595.5 2529341.25 2541626.5 1521789.75 2611932 1940518.75 41137880 72172984 4104482 5204016.5 19620448 8700466 3337054 2765175.25 1562855.25 31008222 10080275 7774653 32903914 3281162.25 126843032 1178617.75 19952782 2745842.25 12068299 7127662 31614676 2549378.25 6633492 1952098 46302336 11251574 2771730.25 6369657 10398827 17315882 35352764 18998550 24243602 11280098 4239048 8155766 1568289.375 23598326 2187803 2274972.75 6144865.5 1594686.875 17224474 9798073 9230561 18230684 45615908 21614048 21744540 1947159.125 6217923 8502313 16073043 2918207.25 3010346 13380364 7710335 2009585.125 1650357.375 3087217.25 3686310.25 12574091 5714118 4060420.5 5602745.5 6640070 3480198.5 20115424 6666683 5687025.5 47176904 204882256 2754459.75 20593974 20208892 20255348 3485674.5 7341765.5 14868205 16031593 9307402 55374240 2883327 23929078 3656199 1081412 11212103 3748097.25 2618709.75 31547166 12060268 3649210.25 62465952 12015510 3960948 2347819 2539913.25 3803744.25 33715548 7239335 10664942 9333937 586059.4375 11400061 45388504 3466748 7902846.5 21716448 12530846 3236967.5 2683688 4625443 9182016 2447073.5 56990240 11723839 12952300 6730952.5 19815310 3998635.75 3694706.75 8187054.5 61734268 3262269.5 4794223 4392220.5 10758442 5888762.5 1400724.375 6763300 3361363 71176856 2975243 42795860 17616926 3502572.25 7419879 5567820.5 15140564 10724131 6549187.5 10943359 2477689.5 22484112 9378365 127035960 3657079.5 28648164 75518304 2966616.75 127117824 2102844.5 13379268 15075435 2362484 8499225 5688871.5 6450362 24964078 27198542 23995758 1928465.75 1618810 19996186 16211436 7255442.5 3507599.5 63717680 18155256 11442854 10740553 9259343 122079944 18161988 3004721.25 4427718.5 2914660.25 12433402 16655153 14901108 6571266.5 27941818 5169165 28407612 33491488 9934709 8381740.5 37438656 118780008 4058435.5 7287371.5 24037406 9268929 6768456 6010915.5 4507603 17613940 29951008 14360943 74151464 1619504.75 17903158 103723000 27435902 4883226 29883418 14404972 100745424 2320176.25 4510637 19405612 9635860 2999381.75 26474242 13233556 4296718.5 6212731.5 8805276 53590972 2210253.75 12577183 3123966.25 45940136 2986319.5 6640070 2745814.75 8443475 3656434.5 3227777.25 9403973 3174712.5 1632127.375 6177315 30952790 14268566 15072143 86869824 4217865.5 20891940 12153251 3459369.75 17282096 20017040 29203290 5457552 6859256.5 18048930 4333481.5 31385174 25411580 "2,3-dihydroxyisovalerate" 162405.0156 269287.0625 271400.9063 2017655.625 2531029.5 293286.0938 231262.875 322174.4375 241010.2969 1263074.125 115927.4609 299714.0938 168938.4375 248176.75 300033.5313 150817.6719 1305470.375 153539.8125 11975383 2841966.75 1189669.75 3160351.75 8671514 761981.9375 184584.5313 229526.3438 3823395.75 281635.25 82326880 1187867.25 472085.5938 582040.8125 539308.4375 68732.7188 4504350.5 1064218.375 349051.9688 552091.6875 210696.5938 556711.125 231386.9688 287599.8125 1284638.5 6349798.5 510039.5313 426612.8438 315816.5 547980.0625 1428745.75 1184395.25 940296.5 1012279.938 1258595.875 984936.1875 401356.125 2959688 745358.5 4213016 220864.8281 4237533.5 2435640.5 239329.7656 507483.4688 214689.2656 2862543.75 752755.3125 281206.2188 1805731.5 816965.875 1573819.25 835637.625 1288259.125 875443.8125 209334.0938 313233.0938 1309565.25 1452046 815240.4375 441856.5313 505211.5625 3913904.25 704401.375 688640.3125 52975.1836 374465.8125 309932.5625 582337.3125 195783.2188 1041717.375 100956.2969 124164.8281 1178034.25 266674.2188 2349443.5 185812.625 191614.75 1309675.875 150916.5625 70478.5234 772254 5628862 65576.8281 1611144 621791.5625 399496.6875 167761.4688 410339.0938 1069048.875 2470847.75 128706.0781 2413988.25 274710.2188 2486569.75 101088.3125 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27827382 109765072 128711152 141568608 6359956 29995798 61940916 13200007 5124600.5 219135408 49831680 9045807 32618762 60195192 65075468 10867190 100413992 10458874 39188692 13155251 12937361 12127778 65625516 19556908 14023181 33830008 8014902.5 8266735.5 18230646 25525624 63631332 75985400 83345608 14598198 27018478 44521180 15220138 22566130 14173611 148660160 6084260 67440464 21547448 14678657 243604752 38223280 3'-sialyllactose 267640.0625 196151.2656 80558.7266 55403.7422 98916.8203 117700.3594 36393.1992 101851.5625 80151.4297 879442.3125 473928.6563 161546.5469 227552.3125 1569408.5 1352181.5 107257.8672 61462.5195 1560374.5 268718.4688 273973.5625 907126.9375 154754.4688 747347.875 1662979.5 227486.9219 281120.8125 254164.6875 61634.3945 32450.002 69427.2891 868281.875 65462.7813 318813.7188 197020.3281 2854593.25 1609967 458639.4688 1169169 842095.375 97184.9766 397732.125 68327.6016 693294.9375 137494.7969 166406.1719 140799.9531 372099.3125 372665.8438 793638.3125 208022.5469 609202.0625 311786.6563 386847.7813 47308.7539 25249.5391 36795.5273 900559.25 121867.9375 84235.8516 414702.8125 47719.4297 111289.3047 182642.9688 152587.0313 50651.1758 1320768.75 326916.1563 432288.7813 1168392 132373.3438 219105.0469 81194.3125 421536.9375 851440.3125 891194.375 134606.9688 121372.5 418061.9688 198827.2188 68800.3672 166038.7188 118595.3672 890653.5 95703.8516 497321 1456713.875 134029.7656 815204.0625 1241985.25 705779.3125 71563.2188 161059.0781 753895.8125 250737.8281 266228 211079.7969 370619.9375 194432.5781 1208382.125 104961.0625 222076.1563 139289.5625 290248 271565.625 173695.5938 90717.7422 1272859.25 78157.7578 261210.75 204893.8281 587273.4375 206594.3438 117180.2188 720358.875 132468.0313 668380.875 108961.6875 1068453.125 676936.625 267784.5313 612900.625 290248 975848 456268.5625 544450.4375 1033271.438 134789.875 170526.7344 422413.7813 3592240 530904.625 1437465.875 2958064 191383.0781 1211704.125 63130.668 487787.1563 623381.3125 150005.75 662953.625 108162.2344 1298980.625 167094.5625 130007.8594 392347.5938 845246.0625 243924.0625 193872.2344 1314359.125 504638 284415.4375 276866.9375 43610.3555 939038.5 967955.0625 58947.4648 1468786.125 331428.8438 123683.9609 516438.4063 526971.1875 406647.3438 197907.5625 1169192.375 1420061.125 40601.0469 636816.75 619992.125 549423.5625 894536.1875 179242.2813 243319.625 1194456.25 163548.1875 967354.4375 1478181.25 655029.5625 2659047.5 873209.8125 346727.0313 203924.8906 4920960.5 2914854.5 170407.3906 545268.9375 347998.5313 457458.5 44216.1094 1354317.125 755324 299375.1875 112796.6328 253298.3281 712203.875 196711.625 831199.375 225678.1406 106454.7031 656416.4375 210765.0938 119476.9063 91473.5859 591621.4375 500346.3438 847337.5625 2326640.75 173761.0313 586221.125 509475.4375 222958.1094 19005.0293 1875255.75 208271.5313 823466.6875 249204.6406 39342.8398 1621159.625 577500.9375 mannonate* 4746451 3471005 3333649.5 7725932.5 3078870.5 7689090 2289023 5605526 2888070 18858956 3979307.25 8904989 2652932.5 2854576.5 2529241.75 6224146 2323947 4722647.5 3072067.75 4519461.5 2318637.75 7022147 19627338 2301930 3986109 3143236.25 5255086.5 2188984 5127228.5 6339029 1940095.75 2524133.5 12227868 2570758.5 4340313.5 2133796.75 3217309.75 4385540.5 1952810.375 3009854.25 2013613.375 5665240.5 2259075.25 2298998.5 4934175.5 2413496.5 3203080 1620835 8894976 3353944.5 23876798 9268535 19841046 10711035 27082980 66121704 3471758.5 8307084 5896578 49494200 34234024 14858344 79764136 9977326 38128040 5873897 52501944 5320332.5 9032749 5629193 17394034 12553988 6766431 11010134 48373448 29386536 5895179 12449944 36274252 82304328 120124696 34510292 36760732 34393964 3058569.25 11751335 7962736.5 52877584 4461617 10852025 6719131.5 6682635 29306538 54381472 29423756 12300557 29320080 32395752 31282858 8895179 4098856.75 10640654 20252382 14174743 7309797 25552306 11622136 9257826 12019686 6023917.5 8443066 31522126 14271022 33321548 4096550.75 23061970 4980737.5 35151368 11264917 5162028 5208477.5 130860864 5268381.5 35632576 12181668 6667812 20997458 5938152.5 22795798 53832656 11080039 46335848 8607998 70973032 10788414 6949034 29119798 11084770 12671974 52687644 28615650 6053367 8057639 12659174 7041842 2552694.75 6844182 6297066.5 46895920 12040186 16986004 36005872 5516334 11305668 52003464 9904098 5003756.5 8931783 18949920 10303385 10856808 20385726 13797634 7577039 21875170 14416350 6114286.5 11227611 10847243 11762449 5044486.5 5283542 15355773 4024067 11385683 11867736 21074242 7751754.5 9041486 20921464 4201413 46400816 4696290.5 33868424 13017394 7999223.5 11595423 17392676 10527908 14524024 27129320 42052100 6701200 13940506 17856398 128093776 15732364 29686394 77525704 11499883 35289072 7657115.5 11927670 12706653 3494249.75 8583665 8535696 1998997.75 17765084 27471748 21214362 8131780.5 5833817 14600412 40338996 5414328 7350978 46207752 15137818 14393967 8157416.5 7124142 40330900 31986506 2726192.25 5733461.5 3900934.5 41875128 12722542 4972887.5 7750523 4866945.5 3021496.75 11451245 15983243 7858338.5 12006767 40146504 31161168 5127814 21425870 18790418 6755259 19161754 8113108.5 6073653 9662669 27464084 20714174 74344448 5680236.5 24063564 53443332 15412843 8033309 35017752 70638488 70420352 9194512 13315906 13306057 13201410 2477229 39589736 17611574 12771499 6043327 13832508 20035982 9578112 49343308 9423174 30829148 4426580.5 6710109.5 12790177 29456064 10852025 5294101.5 11817608 3507573.25 2347469.75 7224377 11424547 14106875 21140780 39492064 7783161.5 9615316 10026007 4821404 12182416 4373272.5 47914356 6541548 26050338 15841287 3310946.5 65112992 15201071 N-methyltaurine 168896.2031 48088.8789 151262.8594 319267.8438 153425.7969 262191.6563 131362.625 46129.707 197854.1094 248413.6563 87257.6484 218864.5938 102949.5938 277334.8125 84770.3359 319627.625 127362.5469 206546.8906 165411 854896.6875 213351.3594 45897.9102 419789.7813 154087.0313 184733.5469 28533.3125 71980.9922 150091.1719 80262.9453 168234.9688 244442.1094 58540.2422 53840.3594 105910.5938 72685.7188 1071016.375 98336.6094 62396.3867 47709.9727 132415.0469 152014.9375 758820.125 156911.0156 43220.3359 66274.9063 291790.0938 60686.1328 772350.625 63149.6719 332187.3438 92972.3281 79121.4063 108820.9609 58158.2461 593353.1875 459396.0313 178596.5313 145836.9844 244638.5156 376476.625 111287.2969 439496.0313 144545.7656 171973.4375 52412.7891 333334.75 376522.4375 1449516.125 5150323.5 619623.875 2905282.25 105474.1484 110366.6016 90966.8281 368248.6875 523025.6875 115221.9766 152590.2344 197155.2344 109742.1875 404394.375 979623.6875 283132.0625 1563713.125 489783.8438 189552.5469 3-hydroxyadipate 498244 670563.8125 189465.9844 1046684.813 857443.4375 325982.2188 381033.375 383606.4688 946315.3125 1738660.625 630033.5 789390.125 678854.625 1639550.375 2653887 441436.2813 173349.8906 937566.3125 273904.875 205785.2344 419939.2188 347515.6563 379456.8125 1307011.75 363669.5313 442763.7813 872886.4375 360430.0625 509230.6875 221832.4531 1014619.063 5761469 3849962.25 2167263 3250605 1011813.813 2936186.75 201721.3125 4696714.5 1463060.75 848334 634357.375 748098.8125 214522.9219 1384472.125 348868.9688 602280 814676.625 6625484.5 2304329.75 1210926.5 3318574.75 2963983.5 3124823 2781073 2878135 734095.1875 2153007.5 5530217 209426.5 3350780.75 663936.3125 4863378.5 489612.0938 5149986 11460520 12018636 7839277.5 88682248 20128978 32741990 1555760 1252973.75 2211670.25 11417607 2182641.75 1077116.75 2396834 2087277.5 882139 655795.125 3095771.25 4070033.5 6377330 4057532.75 1045847.563 943126.3125 4235097.5 9914913 24888180 4317666 3453262.25 7516928 27788914 8677208 5583984.5 4569509 1726449.25 2968770 7054146.5 28518970 2649733.75 8595920 1305281.375 12732065 1130981 2255076.25 7545843.5 2120742.5 575296.375 10873087 909958.0625 5667041 8459988 760532.625 1502956.875 647408.3125 3719705.5 1022899.375 2805713.25 11477830 2851410.5 20062560 14941251 3398158 5957710.5 4718559 2313641.75 429800.5313 719976.6875 323871.5938 2027885.5 1206637 24369618 2396834 9061085 5091357.5 1501528.125 478595.0938 1689491.75 1781357.5 51432212 10469713 522254.2188 933788.5625 5247682 2396834 338193.7188 1824450.5 1374447.75 6129674 2088302.5 7885031.5 14224430 895366.0625 4167278.5 1913289.5 5834587.5 7154846.5 4626766.5 3299747.25 1391451.625 5292123 4147389.75 87211992 360313.5938 11424448 10213885 318309.6875 35996828 222828.7031 15281658 5114328 484431.125 1442227.375 836784.9375 6250373 18627032 7070669 889929.5 9040410 20279806 6416908 1143162.5 806477 8018001 7473969.5 2157878.75 1084865.625 570547.625 27830960 1774164.5 2172598.25 678991 4984508 2175798 1366181.25 2611514.5 20860824 2004462.125 24370566 45765928 3634314 4804221 34298076 45983020 1661565.5 805819.25 16615809 6875136.5 3148577.75 4409228.5 1346142 18498902 17682420 9611941 18141988 519210.8438 7643201.5 49009448 26164054 1021376.625 9001041 2890942.5 10994075 2453086.75 3929627.75 1714195.5 219120.7813 856781.125 358487.375 9320838 5316117.5 7002762.5 37207052 1048324.813 9223635 3439462 30961504 1685164 4092446.75 647255.5625 3016547.75 2993657.5 498657.6563 423806.8125 5102768.5 248853.4219 3287122.5 1262098.75 280477.375 201728.7813 11673120 817944.125 12775365 1830906.125 1871232.125 37825824 7944805.5 N-formylanthranilic acid 152613.1406 219823.1094 254498.9531 201622.9063 366885.6875 145809.4844 621732.0625 391799.5938 396708.8438 489314.3125 373085.2813 576203.1875 317856.5625 238939.8594 214054.6563 350181.3125 298192.3125 458131.75 375433.2813 281950.0938 662270.9375 577207.375 441781.5625 224016.2656 221390.7813 454222.9688 300614.75 401800.375 348527.5313 176558.0938 444945.8125 478126.8438 624655 681324.625 268616.3438 622631.3125 299877.5313 272670.9063 470508.625 260989.3125 516747.0938 1105208.625 2614664.25 2394532.5 432337.5313 3115055.25 2639450.5 462447.8125 762791.25 786093 2678947.25 126242.9688 765518.375 563071.25 1651704.375 343648.25 996460.4375 2204967 325220.0625 3637095.25 1209144.875 3446187 647844.8125 704104.0625 470344.0625 8034120.5 652954.875 531285.4375 923267.25 3836239.75 3782728.5 314987.4375 509001.75 1168181.875 1551857.25 778004.4375 27886758 820149.3125 2608658 760399.75 4166347.5 769594.875 2240398.25 2828095.75 507902.9688 1204339.5 496374.625 5469707 1302583.875 907487.9375 5277416.5 3282414 1318124.375 1121288.25 717359.3125 1427354.375 2674967.75 401031.1563 239142.25 486778.625 2206404 3312936.5 1182343.625 404672.5938 1299731.875 315657.4063 1965300.75 1587397 688085.125 297482.0313 2386759.25 263892.5625 1783609.625 3741774 3858403 954807.25 1929119.125 864863.125 1525634.375 1308032.875 1710532.625 4556238 455317.75 11640839 2248967.75 2057758 1424233.125 496769.25 7075241 2229152 932847.8125 2163418.25 1439623.625 1215089.625 4725547.5 753786.5 1692786.625 4189238.5 5626725.5 528905.5625 545758.25 557133.9375 1965485.75 1650408.625 1169557.75 515874.1875 933101.4375 1235488.875 1001307.125 3760803.75 338013.8438 2495307.25 2319014.75 1090299.75 450349.1563 232656.125 1323131.875 2384190 1060545.75 478946.8125 4437783 522819.9375 773912.4375 6385717 1524365.125 429567.5313 876274.125 3455748.75 1679961.625 4168644.75 356757.4063 382659.9375 741473.8125 334488.25 2633361 3435718.75 953105.25 1576699.75 710329.625 1026046.688 1109486.875 3449818.5 2783961.5 991818.375 1143725 569567.5 2693439.5 4724948.5 897547.25 311531.8438 1411978.625 9241969 9104549 474007.2813 2121593.25 673688.6875 1308719.25 863700.375 578444.9375 957685.1875 1865086.25 3689235.5 340020.2813 1063365.375 972544.625 605330.625 838695 4127831.75 862204.5625 892976.75 1069285.375 1039880.938 2220462.25 3570253.5 661914.8125 294826.9375 355727.1875 2388117.75 754183.875 2152176.5 5401177 505982.0313 756514.4375 1169991.25 4907042.5 445317.6563 770055.6875 341137.3438 425315.25 278073.5625 759544.375 225234.375 319130.7188 291740.7813 310178.375 428269.2188 393091.4688 1020559.375 304299.625 2834871.75 1796274.5 2740067 634628.625 2618713.5 234165.9531 1632030.5 333187.3438 389327.4375 1224639.125 536649.4375 325965.3438 1741872.75 1129069 367147.7813 12357965 578690.8125 823548 253209.1406 530415.4375 815248.375 544158.4375 497594.25 474629.6875 503028.25 786093 453313.25 1259873.75 240962.9844 415971.4375 623657.4375 950350.0625 1855936.625 3669741.75 292534.7813 544094.8125 710882.875 740657.25 1021938.125 2655647.75 375781.4688 637058.3125 175698.7031 798273.5625 457053.4375 2842611.5 688776.5625 "N2,N5-diacetylornithine" 137118.1094 150634.3281 245764.5625 275443.6563 65832.0156 180555.5781 126316.875 106174.3438 140899.7656 104160.3672 95479.3594 130455.2266 314512.3125 233972.5625 75853.6016 261717.7031 147103.1406 444955.1563 317629.4375 294091.5625 109065.3047 194588.9375 192620.6406 249336.8125 99982.3672 89281.9531 249645.8906 199708.75 183056.0781 218435.8906 238778.1406 141163.8438 550378.1875 66870.1328 148728.6563 264719 186761.9844 1070243.875 220228.5313 185765.7969 1423405.25 519266.6875 82751.0781 128119.0391 179564.8125 1451360 92242.0938 128193.5547 1854704.75 957367.125 221046.2656 182644.0781 473522.0313 199165.0469 887507.1875 533820.5625 67718.3516 529106.125 591551.8125 156308.5 66717.2266 53700.5391 460323.1563 153687.375 793309.0625 202305.7188 104668.8672 1585438.25 1791629.125 294665.8125 578254.375 240841.0625 1144468.375 28021.125 78514.0625 292222.6563 651924.9375 902947.6875 256429.8906 691011.5625 986410.125 264719 144947.7188 137622.4688 285830.2188 1079157.875 477575.5 2549700.25 104013.75 257608.1406 1686703.625 197173.5 891186.9375 56589.1055 163433.9219 166634.75 49884.0508 221528.6406 1542148.375 244660.7188 95856.1797 136465.7813 1346947 212910.4375 270316.875 120928.0938 2278540.75 346736.5313 67342.6094 94949.7813 1927238.125 2270168.75 111399.5547 434418.0625 102546.9063 1937546 135369.7656 351807.0313 205029.5625 130327.6875 2760406 893054.75 1931421.125 2272247 49813.8867 1952716.25 104478.0859 64037.4844 210872.0625 3315891.5 610952.8125 49059.1914 5006299.5 88273.125 848626.125 1615221.5 1069123.125 1229501.75 649657.75 160244 267056.5625 358762.375 943824.875 1016543 574223.0625 126726.7578 3666526 4897401 265642.4375 161598.375 1882409.125 156833.1563 1165872.25 413425.5313 77912.1797 310004.6875 222642.8125 381108.8125 2882655.75 671184.75 10198403 4386842 84105.2578 1536956.5 699076.375 1292193.375 138671.0938 2442977.5 88087.6641 12441051 294282.1563 205173.1719 6285966 1440707.125 83815.1406 943469.75 2913089.75 80340.7969 1207878.625 742113.0625 308980.25 348806.5 979958.3125 964123.1875 87715.3047 175321.5938 118313.4063 101565.4531 1907415.25 81881.7344 3042885.25 264719 726514.75 1101643.5 990450.6875 N-acetyltaurine 218186.2344 251896.9375 272417.0625 262943.1875 174531.7656 2907927.5 108450.2734 172352.7813 356645.5313 2799905.25 268402.7188 640061 421963.1875 263444.9688 156084.4375 241922.2031 252082.9063 308465.375 391496.0938 409392.9063 261884.4688 610981.3125 2523714.5 912816.6875 1378438.375 343738.0938 502493.125 225510 1112774.75 1006068.125 414049.625 314022.0938 876552.75 592700.75 402659.375 145651.0938 319845.4375 488749.3438 437788.9063 272829.3438 305060.75 1102851.625 299449.5313 289746.375 613267.625 490759.7813 2178446.5 251550.3594 466748.4375 575127.875 14611661 8024577 639271.625 3045475 18276932 13038105 334717.125 409577.0313 174470.6875 12549794 4589717 813361.3125 14657306 840406.5625 18746956 379498.7188 13202948 502619.4063 6069012 1398526.125 9064755 589449.375 779136.9375 1220583 6356515.5 2956696.5 196542.2188 2177161.75 2815250.75 7402941 9133794 16364917 12856767 5865972 643286.4375 2402997.25 185751.2031 8857123 1126473.625 328536.125 2246651.75 196386.7969 8504269 7651581.5 1837675.5 4214234.5 19502736 5455539 9880690 201465.7813 1116261.375 1756470.5 2862030.25 1244686.75 224937.8594 3870876.75 2042037.25 229475.8594 395478.5313 662927.375 840664.5 3939493 1315674 1736067.5 771131.5625 1965050.875 1053775 7611102 1763664.75 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106670.5313 1877652.25 207988.2344 216723.8281 18026440 956897 780222.3125 873884.4375 214126.0313 762058.125 360419.0313 3510853 354810.4375 992751.875 1982878.375 209290.4375 319110.7813 519016.25 220006.0938 3037251.75 400718.3125 334590.9688 265862.3125 31450744 1062070.625 1144667.875 764322.0625 359458.3125 449830.7188 2136689 50231.1641 2727141.75 560054.5 1255447.25 1869615.875 2130059 746604.9375 444609.9063 succinoyltaurine 86772.1641 108217.6953 272149.3438 237195.4531 111612.1875 247612.7813 55354.2148 178128.2344 229322.8594 821869.375 72296.5938 77108.2344 111779.7969 181285.5156 77974.6797 121567.8984 87377.4531 94398.6328 107675.3359 128033.9141 65041.5391 100914.1953 150167.6094 203442.2969 128995.4063 86492.7266 129893.5469 69773.1172 184156.0156 216374.8438 60351.1719 110694.9844 142660.1719 177193.9688 270564.8438 56569.8086 199355.8438 137711.8125 66170.8203 121052.9922 176310.6719 162489.1719 285328.75 142989.1094 103756.3438 137883.4219 194357.8906 130398.0078 88149.8125 3523427.75 1279435.375 201283.25 757621.875 1913401.875 2888474.75 84713.5313 305988.9688 72554.9688 4464180 2785255.75 191951.75 5577452 264775.6563 11862637 62086.9531 1005469.688 55509.5742 241556.6094 196992.8281 1560372.25 76731.8125 103734.5859 198583.1406 4530666.5 492108.375 131431.75 445838.4375 459375.2188 2094621 1920414.625 1681095.375 2161120.25 826446 23199.5684 133881.2813 27568.5254 1246972.875 420032.3438 110604.8594 127209.7891 410173.4688 1133060.375 781503.0625 99270.4141 3044624 1906614 2101216.25 230659.2813 66552.2422 1571103 139980.3281 472428.625 153991.5156 37651.7617 27835.8086 152043.6875 280359.9375 520453.1563 114389.1406 163808.5625 80070.0547 256029.9688 248313.8438 1353327.375 103669.4375 272337.5313 263241.5625 2972884.75 26140.791 1162492 674067.125 45846.7539 68368.6484 389969.125 1026068.25 1510132.5 2907496.25 208350.6563 955289.125 81576.7656 376788.1563 73035.8047 8489413 105073.4609 61340.8477 587850.375 397298.6875 88893.5078 68188.4922 770915.6875 237287.7188 384066.75 613681.125 255336.4219 652434.875 3295596.5 402685.6563 175424.375 346173.0625 97159.875 181263.2656 117735.2188 652736.125 57975.1836 6697122.5 166280.7813 308632.25 151681.6875 100834.4531 150945.625 115702.4688 135865.9219 2763497.75 357156.75 98521.3906 152061.1563 614483.9375 181017.2813 66949.0156 357227.2813 156851.25 1882100.625 132216.1406 4984603.5 1020470.438 328282.5938 425045.8125 119399.8516 2822903.25 1074090.25 207273.25 704115.4375 50795.7461 492137.875 430169.6563 5946094 125974.8906 1600756.25 3948872.25 173786.3594 14624315 506807.5625 595744.9375 69627.0859 123223.3516 1312777.25 256392.7344 205219.5313 408404.4063 260054.4688 823079.125 1259936.75 79221.7578 90827.0938 3428051 676810.625 228838.2969 481648.0625 9405856 830891.1875 172108.2813 385917.0625 117631.6094 1292295 1023462.75 433648.125 163487.8281 737209.5 4157506 2239068.5 2169608.5 468265.5 7278239.5 4084200.5 225838.7344 632664.25 1357245.75 814539.5625 1395650.75 517065.9688 155510.7188 1040710.125 1004807.563 983121.5 4252870 40053.4063 657036.25 24136118 13752002 156769.2656 1351762.125 2031679.125 3632589.75 51644.3086 429351.5938 1142600.875 303925.5 53490.1797 4467581.5 517702.375 44176.793 304963.25 593336.125 1268187.75 266360.1563 1180815.125 89419.8047 2763325.5 320177.125 271925.25 152460.4688 730132.0625 264999.75 237743.9375 116218.9063 46636.9102 1567843.375 3012199.25 1210625.125 7696196.5 3136944.5 414071.3438 1184594.625 821941.75 122691.6094 1406612.375 228562.7813 6380309.5 118061.3047 785821.875 105262.25 71924.0859 4099143 1254594.625 "3,5-dichloro-2,6-dihydroxybenzoic acid" 582659.3125 692269.1875 2402515.75 269599.4688 979497.25 1436412.75 567248.0625 2613993.25 1963576.75 593394.75 1864214.375 1600584.25 2503688 505817 372541 548512 1672788.625 556799.625 1249141.125 593780.3125 982429.875 938769.375 186271.4531 2307169.5 844866.5625 813495.4375 1201528.625 1152903.75 741687.0625 894315.0625 545475.625 945711.4375 1553798.625 2317754 863426.0625 713015.4375 1690696 1892480.875 717321 1746946.875 2412258.75 660460.9375 852553.125 1798351.125 4500051.5 426077.5938 859902.8125 557446.3125 250314.5156 770957.9375 963200.875 413778.2813 457497.0625 187226.5625 219116.3906 785864.8125 2937162 224926.6875 517645.125 262003.3438 1228614.25 1417436.375 199514.0938 745970.375 288044.2813 1143949.5 319088.3438 661641.875 526429.9375 505053.25 1095737.75 230013.4531 749788.125 228303.9219 125204.9063 527990.125 1260702.5 119562.7656 1044194 230776.3594 1968647.25 353750.8438 682272.8125 461120.4063 157644.3281 412042.5 884649.8125 320919.2813 448885.375 1042764.938 182928.125 733255.4375 890629.9375 375242.3125 794595.4375 587047.1875 345270.4063 106988.9609 103893.9063 871038.25 421522.9063 683554.9375 362374 1319606.25 530100 146942.4688 419483.5938 484758.6563 1181080.125 361272.3125 967916.875 292499.4063 482862.9063 787463.625 1217874.625 295044.875 712037.125 784653.25 1038176.938 146250.9531 866935.0625 73377.3047 330902.5625 292490.4063 171084.3906 1666523.75 1716259.625 388190.9688 600837.5 285184.6563 479090.2813 118428.2734 265536.3438 298390.2188 658158.1875 1080820.875 622512.125 1010162.125 136395.7656 845247.3125 850454.625 500976.9063 1579471.75 749651.25 514222.9063 1011641.188 625639.9375 246070.0625 427053.625 246315.375 227140.7656 946564.4375 1191442.25 100597.1328 342349.5 456159.6875 616324.8125 1177660.5 224942.8594 178951.625 724008.625 463606.4375 533136.375 417964.2188 382875.9063 443917.7813 472537.1875 626183 252690.6406 798924.125 492839.4375 278943.4688 717096.4375 777574.8125 922555.9375 94337.8047 317080.3438 868577.3125 399519.4063 135504.875 271169.625 1401791.75 82883.3203 1574548.75 46325.6172 672579.4375 209283.0469 523837.0938 219192.4219 925045.5 43943.4375 478846.5625 49050.7266 1099057.125 690709.375 1591715.875 78632.7344 719565.3125 265721.8438 267850.1875 341867.4375 321038 593512.25 514130.0313 304621.1875 972171.3125 239087.5 564663.8125 229941.5313 222703.4531 1093283.5 471544.7188 721116.375 387475.5 59741.2578 303927.0625 628242.1875 619097.5 966258.9375 297561.5625 1107140.875 168394.1094 2079793.5 321628.875 709006.875 106664.1094 625791.5625 528111.5625 175419.8438 93036.8828 539306 132805.5 573458.9375 352813.0313 810738.625 200689.0313 789782.25 430033.7813 681739.5 185675.9219 416814.5313 313865.9688 790281.375 275129.75 320118.6563 285355.2813 306907.4375 447448.625 228052.375 233219.4688 328564.0938 450467.8438 202501.2969 218645.7031 378345.8125 280448.1875 448889.3125 790954.625 1153752 1077621.875 172210.6719 279967.4375 220673.3281 111563.8672 743998.375 902782.125 1287968.125 488543.6875 777844.25 377695.7188 2995723 1546536.5 252400.5156 1225278.875 603219.75 1482869.75 702195 701151.5625 378641.6875 718941.8125 613616.4375 387910.4375 147761.1406 1099544.75 373788.6875 136800.9063 171518.2813 965294.8125 756285.25 557707.5 984393.8125 192435.5938 2415914 2-hydroxy-4-(methylthio)butanoic acid 1097229 755198.4375 437177.1875 607510.4375 339869.3125 1316176 459119.125 471990.2813 957923.125 471384.6563 414440 537998.3125 394663.8438 315152.3125 1116228.25 661126.75 315334.5625 612702.5 791857.9375 761618.375 479213.75 574510.5625 635147 1126030.375 1324124.5 147005.125 518840.6875 1558803.125 747531.3125 357737 640065.3125 501725.7813 800417.75 611852.25 853675 531068.1875 671112.5 624540.0625 735571.1875 349167.3438 690784.3125 926692.5625 288254.5313 982978.75 1193497.875 860868.625 956151.375 518337.7813 534003.9375 2663440.75 2218074 8211417 892586.0625 1486082.125 19516564 2413112.25 1359853.75 5348465.5 1033878.125 4463171 2595926.5 4684538.5 11308348 862457.9375 2824145 2303144 2241389.25 1685943.375 2911405.5 576111.125 7528120.5 1265921.875 1366013.125 2960352.5 2222910.75 3750740.5 1821746.875 5273996.5 5043541.5 2035353.875 1353810.125 7206721.5 4741127.5 15141057 1009512.75 9440565 1285737.625 2614850.25 7846068.5 467734.25 8816112 708997 8305753 1652824.875 1206742.5 12967452 31978326 4782393 8767580 711525.375 923047.4375 10980819 2106828.25 1927399.5 3296612 718536.1875 2011198.375 1788990.125 1303393.25 1705497.75 1619042.5 1917893.25 3042599.5 1083051.75 1393370.875 1839330.75 2722251.5 3153190.75 6485760 10122950 16528552 2130302.75 1334509.875 7289339.5 4739926 12740784 3118988 4568315.5 783867.75 5820552 5180129 7565891.5 2047575.75 4621947.5 6231742.5 2754284 3641025.25 1546636.375 2960413.25 5239861 1389779.875 3900374.25 15835004 17409350 1352571.875 1061270.125 3144295.75 1482468.5 4990214.5 3014466.25 1933269.375 3166330 1005622.938 1996389.875 18813718 2829264.5 8958518 5609127.5 1970899.125 1486690 1673101.125 1288723.625 1660804.375 1384481.125 10845843 6521476.5 2176013.5 2292580.25 4391388 3295872 2414957.5 2752871.25 3205425.75 1256286 950647.0625 1209706.125 3645570.75 9715772 2164658.75 2230610.5 1892336.5 3755263.75 1232316.875 2956520.75 8386246 1775608.25 3622042.5 3013334.75 2816001.5 5454968 16574257 3439356.5 980999.625 6967222 871205.4375 1060555.125 558026.0625 2396716.5 9695056 2336187.25 2000886.125 1149835.5 6789324.5 26646166 1205920.5 5062472 4673443.5 2351781.5 610518.5625 5509840.5 3332549 1642501.375 1311840.875 4738159.5 1348767 1187875.5 1452192.75 2243872.5 8945686 2381019.5 1113909.375 8235327.5 3535838.5 1473117.875 2109722.25 1258903.75 520156.875 1398785.75 576337.5625 2734465.5 17795810 2010624.625 3165277.25 6991919.5 1328673.375 3094699.5 3205886.25 3953196 1097068.25 1004489.313 2527976 3455889.25 1575740.125 1983644.5 1466051.875 1687734.5 4358508.5 6058988.5 3600299.5 995632.8125 866822.5625 1077218.375 2701815.25 1405256 3363957.5 14466737 864085.9375 304936.8438 756874.5625 538807.875 5310360 2131786.5 505678.7188 9395202 817115.25 3522657.25 5355630 459524.0938 1910496.75 1844024.25 445750.4375 2740021.5 3662250.75 3510794.75 2037456 431676.0625 1244168.25 1723326.5 1983644.5 17530348 737546.5625 584460.25 1541442.75 941919.75 4119561.75 3015910 4945654 2279100.75 6740926.5 3312651.25 1168122.5 3203706.5 3454777 1055405.625 3941952.75 1434636.75 2408187.5 1204700.5 474296.9375 2565470.25 pentose acid* 802983.25 346936.625 615322.625 2070614 1868583.625 762090.9375 980189.125 868592.3125 483430.3438 1282958.25 516554.5 288469.0625 1350198 675794.4375 1118808.75 1235388.125 1031119.5 1007413 412930.0625 1426872 763580.8125 1865968 2294268 1164798.625 1672109.5 836400.9375 346295.8438 225165.1875 2677911 993737.875 4209160 2446861 1192325 664124.5 578184.375 326916.3125 964922.5 2791264 653070.8125 1693502.125 349564.5938 1525273 468052.4063 122203.25 881270.8125 1282848.625 1000136.125 5678433 1204520.375 5827771 8293137 1428112.5 1036108.375 999943.6875 1893880.5 3810445.25 505542.3125 3544800.25 489301.4375 2772752 226036.875 204680.2813 5443904 5465255.5 3353781.75 307281.75 316628.4375 483427.1563 292243.4063 4506130.5 426669.5 276877.1563 1407397.125 1641738 321700.4375 592944.9375 617191.75 98057.1563 588876.3125 1835420.625 1524112.125 180052.9531 3440322.75 441169.375 869477.6875 222839.0625 2735231.5 3818348 401444.6875 415752.4063 324447.3125 208426.7188 544981.5625 341756.8438 1201153.375 214666.9531 1035855.875 361851.9375 971548.9375 285135.5313 728657.25 269159.1563 170921.8594 488536.5625 245403.25 5178723.5 588186.9375 172569.625 324669.2813 414786.4688 280812.5938 1342980.5 822189.1875 98631.1406 6469802 62366.875 719231.25 62868.9648 3399577.5 732358.75 437807 89556.6797 2272926.25 679814.3125 239691.1719 837791.8125 495399.2188 175296.7031 114299.5156 115026.6797 1370311.125 92688.4922 381140.0938 2586394 638262.0625 655085 97865.2031 422107.5313 5085751.5 1355181 68109.1719 2727004 249250.25 177555.1406 361460.5 422257.5938 238392.6719 135791.2656 679914.375 1196511 180284.8906 898902.5 1334760.75 65011.9883 11373304 113733.9453 110684.8438 298520.3438 1453746.75 354638.4375 614788 96889.8828 891950.1875 1080247.375 523508.3438 700153.8125 728224.625 435869.8125 185917.7031 643537.25 1529192.375 477563.6563 1215084.375 1320221.5 466646.2813 511762.3438 134354.25 5431995 1865427.375 399323.0625 1434599.75 713461.0625 908790.875 581142.5 980243.0625 1976177.75 16036243 390443.1875 19050142 25175316 351978.5 1816753.625 12037507 280583.5938 235796.1563 68466.9766 2192275.5 664124.5 194227.4688 535272.0625 332680.3438 13106961 202019.0469 2997268.25 196570.6406 5494045.5 525159.1875 585721.625 2094427 835083.125 1270044 255639.7969 2184094.5 3474557.75 142819.5625 341100.4375 467325.2188 304515.8438 2957420.75 11182196 287662.875 436193 265276.5938 283574.9688 4792619 1302482.75 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name cas hmdb kegg pubchem platform 2-oxoadipate 3184-35-8 HMDB0000225 C00322 71 Polar alpha-ketoglutarate "328-50-7,22202-68-2,305-72-6" HMDB0000208 C00026 51 Polar 3-hydroxyisobutyrate 2068-83-9 "HMDB0000023,HMDB0000336" "C01188,C06001" 11966314 Polar 3-hydroxy-3-methylglutarate 503-49-1 HMDB0000355 C03761 "1662,5459993" Polar 2-hydroxyphenylacetate 614-75-5 HMDB0000669 C05852 11970 Polar succinate 110-15-6 HMDB0000254 C00042 1110 Polar 3-hydroxybutyrate (BHBA) 625-72-9 "HMDB0000442,HMDB0000357,HMDB0000011" "C03197,C01089" "94318,441,92135" Polar fumarate 100-17-8 HMDB0000134 C00122 444972 Polar gluconate 527-07-1 HMDB0000625 C00257 "10690,3085666" Polar glutarate (C5-DC) 110-94-1 HMDB0000661 C00489 "743,4418048" Polar myo-inositol 87-89-8 HMDB0000211 C00137 892 Polar lactose 5965-66-2 HMDB0041627 C01970 6134 Polar methylmalonate (MMA) 516-05-2 HMDB0000202 C02170 487 Polar orotate 50887-69-9 HMDB0000226 C00295 967 Polar lactate 79-33-4 HMDB0000190 C00186 612 Polar glucose 50-99-7 HMDB0000122 C00031 5793 Polar alpha-ketobutyrate 600-18-0 HMDB0000005 C00109 58 Polar mannose 3458-28-4 HMDB0000169 "C00159,C02209,C00936" "82308,439680,185698,18950" Polar pyruvate 127-17-3 HMDB0000243 C00022 1060 Polar arabinose 28697-53-2 HMDB0029942 C00216 66308 Polar fructose 57-48-7 HMDB0000660 C00095 2723872 Polar maltose 6363-53-7 HMDB0000163 C00208 10991489 Polar dihydroorotate 155-54-4 HMDB03349 C00337 648 Polar sucrose 57-50-1 HMDB0000258 C00089 5988 Polar allantoin 97-59-6 HMDB0000462 "C02348,C01551,C02350" "439714,204,439713" Polar xanthine 69-89-6 HMDB0000292 C00385 1188 Polar glycerate 600-19-1 "HMDB0000139,HMDB0006372" C00258 "439194,752" Polar N-acetylalanine 97-69-8 HMDB0000766 C02847 88064 Polar azelate (C9-DC) 123-99-9 HMDB0000784 C08261 2266 Polar methylsuccinate 498-21-5 HMDB0001844 10349 Polar ethylmalonate 601-75-2 HMDB0000622 11756 Polar suberate (C8-DC) 505-48-6 HMDB0000893 C08278 10457 Polar glucuronate 207300-70-7 HMDB0000127 C16245 "441478,23677976,94715,65041,444791" Polar ribitol 488-81-3 "HMDB0002917,HMDB0001851,HMDB0000568,HMDB0000508" "C00379,C01904,C00474,C00532" 6912 Polar 2-isopropylmalate 3237-44-3 HMDB0000402 C02504 77 Polar quinate 77-95-2 HMDB0003072 C00296 6508 Polar maleate 110-16-7 HMDB0000176 C01384 444266 Polar cysteine s-sulfate 1637-71-4 HMDB0000731 C05824 115015 Polar erythritol 149-32-6 HMDB0002994 C00503 222285 Polar adipate 124-04-9 HMDB0000448 C06104 196 Polar ribonate 5336-08-3 HMDB0000867 C01685 5460677 Polar threonate 70753-61-6 "HMDB0062620,HMDB0000943" C01620 "151152,5460407" Polar 3-hydroxysuberate 73141-47-6 HMDB0000325 22328017 Polar 3-hydroxysebacate 73141-46-5 HMDB0000350 3017884 Polar 2-hydroxyadipate 18294-85-4 HMDB0000321 C02360 193530 Polar 3-hydroxy-2-ethylpropionate 4374-62-3 HMDB0000396 188979 Polar N-acetylglutamine 2490-97-3 HMDB0006029 C02716 182230 Polar N-acetylhistidine 39145-52-3 HMDB0032055 C02997 75619 Polar alpha-hydroxyisovalerate 600-37-3 HMDB0000407 99823 Polar erythronate* 88759-55-1 HMDB0000613 2781043 Polar 5-acetylamino-6-formylamino-3-methyluracil 85438-96-6 HMDB0011105 C16365 108214 Polar 5-acetylamino-6-amino-3-methyluracil 1196153-01-1 HMDB0004400 C16366 88299 Polar orotidine 314-50-1 HMDB0000788 92751 Polar gulonate* 20246-53-1 HMDB0003290 C00800 152304 Polar "3,4-dihydroxybutyrate" 51267-44-8 HMDB0000337 150929 Polar mannitol/sorbitol "HMDB0000247,HMDB0000765" "C00392,C00794" "5780,6251" Polar 3-methyladipate 3058-01-3 HMDB0000555 12292 Polar N-acetylserine 97-14-3 HMDB0002931 65249 Polar chiro-inositol 643-12-9 HMDB0240209 C19891 Polar "2S,3R-dihydroxybutyrate" 5057-93-2 HMDB0002453 10964471 Polar "2R,3R-dihydroxybutyrate" 759-06-8 HMDB0000498 13120901 Polar alpha-ketoglutaramate* 18465-19-5 HMDB0001552 C00940 48 Polar "2,3-dihydroxyisovalerate" 1756-18-9 HMDB0012141 C04039 677 Polar 3-methylglutaconate 5746-90-7 HMDB0000522 1551553 Polar hydantoin-5-propionate 5624-26-0 HMDB0001212 C05565 782 Polar 4-hydroxy-2-oxoglutaric acid 1187-99-1 HMDB0002070 C01127 599 Polar sedoheptulose 3019-74-7 HMDB0003219 C02076 5459879 Polar 2-O-methylascorbic acid 17860-87-6 HMDB0240294 54726398 Polar 3'-sialyllactose 35890-38-1 HMDB0000825 123914 Polar mannonate* 642-99-9 3246006 Polar N-methyltaurine 107-68-6 7882 Polar 3-hydroxyadipate HMDB0000345 151913 Polar N-formylanthranilic acid 3342-77-6 HMDB0004089 C05653 101399 Polar "N2,N5-diacetylornithine" 39825-23-5 HMDB0240345 65977 Polar N-acetyltaurine HMDB0240253 159864 Polar arabonate/xylonate HMDB0000539 "C00502,C05411" "122045,6602431" Polar arabitol/xylitol "HMDB0001851,HMDB0000568,HMDB0002917" "C00379,C00542,C01904" "94154,6912" Polar citraconate/glutaconate "HMDB0000634,HMDB0000620" "C02226,C02214" "5280498,643798" Polar 2-hydroxybutyrate/2-hydroxyisobutyrate "HMDB0000729,HMDB00008" "C21297,C05984" "440864,4277439" Polar isocitric lactone 4702-32-3 98259 Polar ascorbic acid 2-sulfate HMDB0060649 54676864 Polar caffeic acid sulfate HMDB0041708 21668705 Polar lyxonate HMDB0060255 Polar heptenedioate (C7:1-DC)* Polar ascorbic acid 3-sulfate* 11425365 Polar vanillate glucuronide HMDB0240572 Polar dihydrocaffeate sulfate (2) Polar succinoyltaurine Polar "3,5-dichloro-2,6-dihydroxybenzoic acid" 24721632 Polar 2-hydroxy-4-(methylthio)butanoic acid 583-91-5 HMDB0037115 11427 Polar pentose acid* HMDB0000892 C00803 7991 Polar METABOLITES_END #END