#METABOLOMICS WORKBENCH Lu_Group_20230830_200429 DATATRACK_ID:4270 STUDY_ID:ST002861 ANALYSIS_ID:AN004692 VERSION 1 CREATED_ON 09-14-2023 #PROJECT PR:PROJECT_TITLE Gut Microbiota-associated Metabolites Affected the Susceptibility to Heart PR:PROJECT_TITLE Health Abnormality in Young Migrants at High-altitude PR:PROJECT_TYPE Targeted MS quantitative analysis PR:PROJECT_SUMMARY Characteristics of human serum and faeces metabolomics in the plateau migrants PR:PROJECT_SUMMARY and plain controls PR:INSTITUTE Shanghai Center for Systems Biomedicine, Shanghai Jiaotong University PR:DEPARTMENT Shanghai Center for Systems Biomedicine PR:LABORATORY Lu Group PR:LAST_NAME Liu PR:FIRST_NAME Jingjing PR:ADDRESS 800 Dongchuan RD. Minhang District, Shanghai, Shanghai, 200240, China PR:EMAIL jingjing2018@sjtu.edu.cn PR:PHONE 18818211315 PR:DOI http://dx.doi.org/10.21228/M8BD9J #STUDY ST:STUDY_TITLE Gut Microbiota-associated Metabolites Affected the Susceptibility to Heart ST:STUDY_TITLE Health Abnormality in Young Migrants at High-altitude-Human Serum Metabolomics ST:STUDY_SUMMARY Background: Young migrants in plateau are susceptible to heart health ST:STUDY_SUMMARY abnormality and even high-altitude heart disease (HAHD). Though the gut ST:STUDY_SUMMARY microbial community was found to be drastically affected when exposed to a ST:STUDY_SUMMARY hypobaric hypoxia environment, there is limited knowledge about the roles of gut ST:STUDY_SUMMARY microbiota and gut microbiota-associated serum metabolites (GMSMs) in ST:STUDY_SUMMARY high-altitude associated heart diseases. Hence, we performed multi-omics ST:STUDY_SUMMARY integration analysis of 230 graduates from the same university in this study ST:STUDY_SUMMARY (163 who migrated to Tibet Plateau and 67 matched controls currently living in ST:STUDY_SUMMARY Chengdu Plain) to explore how the gut microbiota affect the development of ST:STUDY_SUMMARY high-altitude associated heart health abnormality. Results: Here, we found 206 ST:STUDY_SUMMARY differential metabolites (82 from serum and 124 from feces) and 369 differential ST:STUDY_SUMMARY species among the plateau migrants and plain controls. Of these, 27 differential ST:STUDY_SUMMARY microbial species and 4 differential metabolites (L-Asp, betaine, 3-GUA, and ST:STUDY_SUMMARY α-KG) that both existed in serum and feces were related to the plateau migrants ST:STUDY_SUMMARY with undermined heart health (HH-A), which were diagnosed by biomedical ST:STUDY_SUMMARY detection, electrocardiography (ECG), frequency-domain Cardiogram (FCG) and ST:STUDY_SUMMARY ultrasonic cardiogram (UCG). Moreover, the abundances of Streptococcus rubneri ST:STUDY_SUMMARY and Veillonella rogosae were related with the serum levels of L-Asp, betaine, ST:STUDY_SUMMARY and α-KG in HH-A individuals. And lower these microbiome biomarkers and GMSMs ST:STUDY_SUMMARY abundances were validated in an independent cohort, both of which together had ST:STUDY_SUMMARY an excellent discernibility efficacy of heart health abnormality in plateau ST:STUDY_SUMMARY migrants, with a higher AUC value of 0.7857. Besides, supplement with the two ST:STUDY_SUMMARY species or each of GMSMs were confirmed to effectively attenuate hypobaric ST:STUDY_SUMMARY hypoxia-induced higher serum lactic acid, glycolysis, myocardial damage and ST:STUDY_SUMMARY cardiac hypertrophy. Integrated analysis revealed significant shift in gut ST:STUDY_SUMMARY microbiome exerted negative regulations in Malate-Aspartate (MA) shuttle, ST:STUDY_SUMMARY Tricarboxylic acid cycle (TCA) and oxidative phosphorylation in HH-A ST:STUDY_SUMMARY individuals. Conclusion: Plateau migration altered profoundly the signatures of ST:STUDY_SUMMARY gut microbiome and metabolome in young migrants. Hypobaric hypoxia-induced lower ST:STUDY_SUMMARY abundances of Veillonella rogosae, Streptococcus rubneri, and related GMSMs ST:STUDY_SUMMARY promoted the remodeling of metabolic processes, resulting in higher ST:STUDY_SUMMARY susceptibility to heart health abnormality in high-altitude. Our findings not ST:STUDY_SUMMARY only presented elaborate microbial mechanisms, but also provided potential early ST:STUDY_SUMMARY risk prediction and therapeutic interventions for HAHD. ST:INSTITUTE Shanghai Center for Systems Biomedicine, Shanghai Jiaotong University ST:DEPARTMENT Shanghai Center for Systems Biomedicine ST:LABORATORY Lu Group ST:LAST_NAME Liu ST:FIRST_NAME Jingjing ST:ADDRESS 800 Dongchuan RD. Minhang District, Shanghai, Shanghai, 200240, China ST:EMAIL jingjing2018@sjtu.edu.cn ST:PHONE 18818211315 ST:SUBMIT_DATE 2023-08-30 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS human serum A_100 Treatment:high-altitude group RAW_FILE_NAME=649 SUBJECT_SAMPLE_FACTORS human serum A_101 Treatment:high-altitude group RAW_FILE_NAME=650 SUBJECT_SAMPLE_FACTORS human serum A_102 Treatment:high-altitude group RAW_FILE_NAME=652 SUBJECT_SAMPLE_FACTORS human serum A_103 Treatment:high-altitude group RAW_FILE_NAME=653 SUBJECT_SAMPLE_FACTORS human serum A_104 Treatment:high-altitude group RAW_FILE_NAME=708 SUBJECT_SAMPLE_FACTORS human serum A_105 Treatment:high-altitude group RAW_FILE_NAME=711 SUBJECT_SAMPLE_FACTORS human serum A_106 Treatment:high-altitude group RAW_FILE_NAME=714 SUBJECT_SAMPLE_FACTORS human serum A_107 Treatment:high-altitude group RAW_FILE_NAME=718 SUBJECT_SAMPLE_FACTORS human serum A_108 Treatment:high-altitude group RAW_FILE_NAME=720 SUBJECT_SAMPLE_FACTORS human serum A_109 Treatment:high-altitude group RAW_FILE_NAME=722 SUBJECT_SAMPLE_FACTORS human serum A_110 Treatment:high-altitude group RAW_FILE_NAME=723 SUBJECT_SAMPLE_FACTORS human serum A_111 Treatment:high-altitude group RAW_FILE_NAME=725 SUBJECT_SAMPLE_FACTORS human serum A_112 Treatment:high-altitude group RAW_FILE_NAME=727 SUBJECT_SAMPLE_FACTORS human serum A_113 Treatment:high-altitude group RAW_FILE_NAME=728 SUBJECT_SAMPLE_FACTORS human serum A_114 Treatment:high-altitude group RAW_FILE_NAME=730 SUBJECT_SAMPLE_FACTORS human serum A_115 Treatment:high-altitude group RAW_FILE_NAME=731 SUBJECT_SAMPLE_FACTORS human serum A_116 Treatment:high-altitude group RAW_FILE_NAME=732 SUBJECT_SAMPLE_FACTORS human serum A_117 Treatment:high-altitude group RAW_FILE_NAME=734 SUBJECT_SAMPLE_FACTORS human serum A_118 Treatment:high-altitude group RAW_FILE_NAME=736 SUBJECT_SAMPLE_FACTORS human serum A_119 Treatment:high-altitude group RAW_FILE_NAME=743 SUBJECT_SAMPLE_FACTORS human serum A_120 Treatment:high-altitude group RAW_FILE_NAME=744 SUBJECT_SAMPLE_FACTORS human serum A_121 Treatment:high-altitude group RAW_FILE_NAME=751 SUBJECT_SAMPLE_FACTORS human serum A_122 Treatment:high-altitude group RAW_FILE_NAME=762 SUBJECT_SAMPLE_FACTORS human serum A_123 Treatment:high-altitude group RAW_FILE_NAME=770 SUBJECT_SAMPLE_FACTORS human serum A_124 Treatment:high-altitude group RAW_FILE_NAME=833 SUBJECT_SAMPLE_FACTORS human serum A_125 Treatment:high-altitude group RAW_FILE_NAME=838 SUBJECT_SAMPLE_FACTORS human serum A_126 Treatment:high-altitude group RAW_FILE_NAME=839 SUBJECT_SAMPLE_FACTORS human serum A_127 Treatment:high-altitude group RAW_FILE_NAME=846 SUBJECT_SAMPLE_FACTORS human serum A_128 Treatment:high-altitude group RAW_FILE_NAME=849 SUBJECT_SAMPLE_FACTORS human serum A_129 Treatment:high-altitude group RAW_FILE_NAME=850 SUBJECT_SAMPLE_FACTORS human serum A_130 Treatment:high-altitude group RAW_FILE_NAME=851 SUBJECT_SAMPLE_FACTORS human serum A_131 Treatment:high-altitude group RAW_FILE_NAME=852 SUBJECT_SAMPLE_FACTORS human serum A_132 Treatment:high-altitude group RAW_FILE_NAME=856 SUBJECT_SAMPLE_FACTORS human serum A_133 Treatment:high-altitude group RAW_FILE_NAME=857 SUBJECT_SAMPLE_FACTORS human serum A_134 Treatment:high-altitude group RAW_FILE_NAME=860 SUBJECT_SAMPLE_FACTORS human serum A_135 Treatment:high-altitude group RAW_FILE_NAME=861 SUBJECT_SAMPLE_FACTORS human serum A_136 Treatment:high-altitude group RAW_FILE_NAME=864 SUBJECT_SAMPLE_FACTORS human serum A_137 Treatment:high-altitude group RAW_FILE_NAME=865 SUBJECT_SAMPLE_FACTORS human serum A_138 Treatment:high-altitude group RAW_FILE_NAME=869 SUBJECT_SAMPLE_FACTORS human serum A_139 Treatment:high-altitude group RAW_FILE_NAME=871 SUBJECT_SAMPLE_FACTORS human serum A_140 Treatment:high-altitude group RAW_FILE_NAME=875 SUBJECT_SAMPLE_FACTORS human serum A_141 Treatment:high-altitude group RAW_FILE_NAME=876 SUBJECT_SAMPLE_FACTORS human serum A_142 Treatment:high-altitude group RAW_FILE_NAME=877 SUBJECT_SAMPLE_FACTORS human serum A_143 Treatment:high-altitude group RAW_FILE_NAME=878 SUBJECT_SAMPLE_FACTORS human serum A_144 Treatment:high-altitude group RAW_FILE_NAME=881 SUBJECT_SAMPLE_FACTORS human serum A_145 Treatment:high-altitude group RAW_FILE_NAME=882 SUBJECT_SAMPLE_FACTORS human serum A_146 Treatment:high-altitude group RAW_FILE_NAME=885 SUBJECT_SAMPLE_FACTORS human serum A_147 Treatment:high-altitude group RAW_FILE_NAME=890 SUBJECT_SAMPLE_FACTORS human serum A_148 Treatment:high-altitude group RAW_FILE_NAME=891 SUBJECT_SAMPLE_FACTORS human serum A_149 Treatment:high-altitude group RAW_FILE_NAME=895 SUBJECT_SAMPLE_FACTORS human serum A_150 Treatment:high-altitude group RAW_FILE_NAME=903 SUBJECT_SAMPLE_FACTORS human serum A_151 Treatment:high-altitude group RAW_FILE_NAME=904 SUBJECT_SAMPLE_FACTORS human serum A_152 Treatment:high-altitude group RAW_FILE_NAME=907 SUBJECT_SAMPLE_FACTORS human serum A_153 Treatment:high-altitude group RAW_FILE_NAME=908 SUBJECT_SAMPLE_FACTORS human serum A_154 Treatment:high-altitude group RAW_FILE_NAME=910 SUBJECT_SAMPLE_FACTORS human serum A_155 Treatment:high-altitude group RAW_FILE_NAME=911 SUBJECT_SAMPLE_FACTORS human serum A_156 Treatment:high-altitude group RAW_FILE_NAME=912 SUBJECT_SAMPLE_FACTORS human serum A_157 Treatment:high-altitude group RAW_FILE_NAME=913 SUBJECT_SAMPLE_FACTORS human serum A_158 Treatment:high-altitude group RAW_FILE_NAME=914 SUBJECT_SAMPLE_FACTORS human serum A_159 Treatment:high-altitude group RAW_FILE_NAME=916 SUBJECT_SAMPLE_FACTORS human serum A_160 Treatment:high-altitude group RAW_FILE_NAME=923 SUBJECT_SAMPLE_FACTORS human serum A_161 Treatment:high-altitude group RAW_FILE_NAME=924 SUBJECT_SAMPLE_FACTORS human serum A_162 Treatment:high-altitude group RAW_FILE_NAME=928 SUBJECT_SAMPLE_FACTORS human serum A_163 Treatment:high-altitude group RAW_FILE_NAME=930 SUBJECT_SAMPLE_FACTORS human serum A_164 Treatment:high-altitude group RAW_FILE_NAME=932 SUBJECT_SAMPLE_FACTORS human serum A_165 Treatment:high-altitude group RAW_FILE_NAME=933 SUBJECT_SAMPLE_FACTORS human serum A_166 Treatment:high-altitude group RAW_FILE_NAME=934 SUBJECT_SAMPLE_FACTORS human serum A_167 Treatment:high-altitude group RAW_FILE_NAME=935 SUBJECT_SAMPLE_FACTORS human serum A_168 Treatment:high-altitude group RAW_FILE_NAME=937 SUBJECT_SAMPLE_FACTORS human serum A_169 Treatment:high-altitude group RAW_FILE_NAME=938 SUBJECT_SAMPLE_FACTORS human serum A_170 Treatment:high-altitude group RAW_FILE_NAME=940 SUBJECT_SAMPLE_FACTORS human serum A_171 Treatment:high-altitude group RAW_FILE_NAME=942 SUBJECT_SAMPLE_FACTORS human serum A_172 Treatment:high-altitude group RAW_FILE_NAME=945 SUBJECT_SAMPLE_FACTORS human serum A_173 Treatment:high-altitude group RAW_FILE_NAME=948 SUBJECT_SAMPLE_FACTORS human serum A_174 Treatment:high-altitude group RAW_FILE_NAME=949 SUBJECT_SAMPLE_FACTORS human serum A_175 Treatment:high-altitude group RAW_FILE_NAME=950 SUBJECT_SAMPLE_FACTORS human serum A_176 Treatment:high-altitude group RAW_FILE_NAME=957 SUBJECT_SAMPLE_FACTORS human serum A_177 Treatment:high-altitude group RAW_FILE_NAME=958 SUBJECT_SAMPLE_FACTORS human serum A_178 Treatment:high-altitude group RAW_FILE_NAME=959 SUBJECT_SAMPLE_FACTORS human serum A_179 Treatment:high-altitude group RAW_FILE_NAME=960 SUBJECT_SAMPLE_FACTORS human serum A_180 Treatment:high-altitude group RAW_FILE_NAME=964 SUBJECT_SAMPLE_FACTORS human serum A_181 Treatment:high-altitude group RAW_FILE_NAME=966 SUBJECT_SAMPLE_FACTORS human serum A_182 Treatment:high-altitude group RAW_FILE_NAME=967 SUBJECT_SAMPLE_FACTORS human serum A_183 Treatment:high-altitude group RAW_FILE_NAME=968 SUBJECT_SAMPLE_FACTORS human serum A_184 Treatment:high-altitude group RAW_FILE_NAME=970 SUBJECT_SAMPLE_FACTORS human serum A_185 Treatment:high-altitude group RAW_FILE_NAME=973 SUBJECT_SAMPLE_FACTORS human serum A_186 Treatment:high-altitude group RAW_FILE_NAME=974 SUBJECT_SAMPLE_FACTORS human serum A_187 Treatment:high-altitude group RAW_FILE_NAME=976 SUBJECT_SAMPLE_FACTORS human serum A_188 Treatment:high-altitude group RAW_FILE_NAME=977 SUBJECT_SAMPLE_FACTORS human serum A_189 Treatment:high-altitude group RAW_FILE_NAME=979 SUBJECT_SAMPLE_FACTORS human serum A_190 Treatment:high-altitude group RAW_FILE_NAME=980 SUBJECT_SAMPLE_FACTORS human serum A_191 Treatment:high-altitude group RAW_FILE_NAME=981 SUBJECT_SAMPLE_FACTORS human serum A_192 Treatment:high-altitude group RAW_FILE_NAME=983 SUBJECT_SAMPLE_FACTORS human serum A_193 Treatment:high-altitude group RAW_FILE_NAME=984 SUBJECT_SAMPLE_FACTORS human serum A_194 Treatment:high-altitude group RAW_FILE_NAME=985 SUBJECT_SAMPLE_FACTORS human serum A_195 Treatment:high-altitude group RAW_FILE_NAME=991 SUBJECT_SAMPLE_FACTORS human serum A_196 Treatment:high-altitude group RAW_FILE_NAME=996 SUBJECT_SAMPLE_FACTORS human serum A_197 Treatment:high-altitude group RAW_FILE_NAME=999 SUBJECT_SAMPLE_FACTORS human serum A_198 Treatment:high-altitude group RAW_FILE_NAME=1007 SUBJECT_SAMPLE_FACTORS human serum A_199 Treatment:high-altitude group RAW_FILE_NAME=1009 SUBJECT_SAMPLE_FACTORS human serum A_200 Treatment:high-altitude group RAW_FILE_NAME=1010 SUBJECT_SAMPLE_FACTORS human serum A_201 Treatment:high-altitude group RAW_FILE_NAME=1013 SUBJECT_SAMPLE_FACTORS human serum A_202 Treatment:high-altitude group RAW_FILE_NAME=1014 SUBJECT_SAMPLE_FACTORS human serum A_203 Treatment:high-altitude group RAW_FILE_NAME=1018 SUBJECT_SAMPLE_FACTORS human serum A_204 Treatment:high-altitude group RAW_FILE_NAME=1110 SUBJECT_SAMPLE_FACTORS human serum A_205 Treatment:high-altitude group RAW_FILE_NAME=1116 SUBJECT_SAMPLE_FACTORS human serum A_206 Treatment:high-altitude group RAW_FILE_NAME=1118 SUBJECT_SAMPLE_FACTORS human serum A_207 Treatment:high-altitude group RAW_FILE_NAME=1120 SUBJECT_SAMPLE_FACTORS human serum A_208 Treatment:high-altitude group RAW_FILE_NAME=1124 SUBJECT_SAMPLE_FACTORS human serum A_209 Treatment:high-altitude group RAW_FILE_NAME=1127 SUBJECT_SAMPLE_FACTORS human serum A_210 Treatment:high-altitude group RAW_FILE_NAME=1128 SUBJECT_SAMPLE_FACTORS human serum A_211 Treatment:high-altitude group RAW_FILE_NAME=1129 SUBJECT_SAMPLE_FACTORS human serum A_212 Treatment:high-altitude group RAW_FILE_NAME=1130 SUBJECT_SAMPLE_FACTORS human serum A_213 Treatment:high-altitude group RAW_FILE_NAME=1133 SUBJECT_SAMPLE_FACTORS human serum A_214 Treatment:high-altitude group RAW_FILE_NAME=1141 SUBJECT_SAMPLE_FACTORS human serum A_215 Treatment:high-altitude group RAW_FILE_NAME=1145 SUBJECT_SAMPLE_FACTORS human serum A_216 Treatment:high-altitude group RAW_FILE_NAME=1153 SUBJECT_SAMPLE_FACTORS human serum A_217 Treatment:high-altitude group RAW_FILE_NAME=1154 SUBJECT_SAMPLE_FACTORS human serum A_218 Treatment:high-altitude group RAW_FILE_NAME=1155 SUBJECT_SAMPLE_FACTORS human serum A_219 Treatment:high-altitude group RAW_FILE_NAME=1156 SUBJECT_SAMPLE_FACTORS human serum A_220 Treatment:high-altitude group RAW_FILE_NAME=1160 SUBJECT_SAMPLE_FACTORS human serum A_221 Treatment:high-altitude group RAW_FILE_NAME=1162 SUBJECT_SAMPLE_FACTORS human serum A_222 Treatment:high-altitude group RAW_FILE_NAME=1163 SUBJECT_SAMPLE_FACTORS human serum A_223 Treatment:high-altitude group RAW_FILE_NAME=1164 SUBJECT_SAMPLE_FACTORS human serum A_224 Treatment:high-altitude group RAW_FILE_NAME=1165 SUBJECT_SAMPLE_FACTORS human serum A_225 Treatment:high-altitude group RAW_FILE_NAME=1166 SUBJECT_SAMPLE_FACTORS human serum A_226 Treatment:high-altitude group RAW_FILE_NAME=1173 SUBJECT_SAMPLE_FACTORS human serum A_227 Treatment:high-altitude group RAW_FILE_NAME=1181 SUBJECT_SAMPLE_FACTORS human serum A_228 Treatment:high-altitude group RAW_FILE_NAME=1183 SUBJECT_SAMPLE_FACTORS human serum A_229 Treatment:high-altitude group RAW_FILE_NAME=1184 SUBJECT_SAMPLE_FACTORS human serum A_230 Treatment:high-altitude group RAW_FILE_NAME=1185 SUBJECT_SAMPLE_FACTORS human serum A_68 Treatment:high-altitude group RAW_FILE_NAME=513 SUBJECT_SAMPLE_FACTORS human serum A_69 Treatment:high-altitude group RAW_FILE_NAME=515 SUBJECT_SAMPLE_FACTORS human serum A_70 Treatment:high-altitude group RAW_FILE_NAME=519 SUBJECT_SAMPLE_FACTORS human serum A_71 Treatment:high-altitude group RAW_FILE_NAME=558 SUBJECT_SAMPLE_FACTORS human serum A_72 Treatment:high-altitude group RAW_FILE_NAME=562 SUBJECT_SAMPLE_FACTORS human serum A_73 Treatment:high-altitude group RAW_FILE_NAME=563 SUBJECT_SAMPLE_FACTORS human serum A_74 Treatment:high-altitude group RAW_FILE_NAME=580 SUBJECT_SAMPLE_FACTORS human serum A_75 Treatment:high-altitude group RAW_FILE_NAME=582 SUBJECT_SAMPLE_FACTORS human serum A_76 Treatment:high-altitude group RAW_FILE_NAME=583 SUBJECT_SAMPLE_FACTORS human serum A_77 Treatment:high-altitude group RAW_FILE_NAME=584 SUBJECT_SAMPLE_FACTORS human serum A_78 Treatment:high-altitude group RAW_FILE_NAME=587 SUBJECT_SAMPLE_FACTORS human serum A_79 Treatment:high-altitude group RAW_FILE_NAME=589 SUBJECT_SAMPLE_FACTORS human serum A_80 Treatment:high-altitude group RAW_FILE_NAME=590 SUBJECT_SAMPLE_FACTORS human serum A_81 Treatment:high-altitude group RAW_FILE_NAME=591 SUBJECT_SAMPLE_FACTORS human serum A_82 Treatment:high-altitude group RAW_FILE_NAME=592 SUBJECT_SAMPLE_FACTORS human serum A_83 Treatment:high-altitude group RAW_FILE_NAME=593 SUBJECT_SAMPLE_FACTORS human serum A_84 Treatment:high-altitude group RAW_FILE_NAME=595 SUBJECT_SAMPLE_FACTORS human serum A_85 Treatment:high-altitude group RAW_FILE_NAME=597 SUBJECT_SAMPLE_FACTORS human serum A_86 Treatment:high-altitude group RAW_FILE_NAME=600 SUBJECT_SAMPLE_FACTORS human serum A_87 Treatment:high-altitude group RAW_FILE_NAME=603 SUBJECT_SAMPLE_FACTORS human serum A_88 Treatment:high-altitude group RAW_FILE_NAME=604 SUBJECT_SAMPLE_FACTORS human serum A_89 Treatment:high-altitude group RAW_FILE_NAME=605 SUBJECT_SAMPLE_FACTORS human serum A_90 Treatment:high-altitude group RAW_FILE_NAME=612 SUBJECT_SAMPLE_FACTORS human serum A_91 Treatment:high-altitude group RAW_FILE_NAME=615 SUBJECT_SAMPLE_FACTORS human serum A_92 Treatment:high-altitude group RAW_FILE_NAME=618 SUBJECT_SAMPLE_FACTORS human serum A_93 Treatment:high-altitude group RAW_FILE_NAME=619 SUBJECT_SAMPLE_FACTORS human serum A_94 Treatment:high-altitude group RAW_FILE_NAME=621 SUBJECT_SAMPLE_FACTORS human serum A_95 Treatment:high-altitude group RAW_FILE_NAME=622 SUBJECT_SAMPLE_FACTORS human serum A_96 Treatment:high-altitude group RAW_FILE_NAME=631 SUBJECT_SAMPLE_FACTORS human serum A_97 Treatment:high-altitude group RAW_FILE_NAME=632 SUBJECT_SAMPLE_FACTORS human serum A_98 Treatment:high-altitude group RAW_FILE_NAME=633 SUBJECT_SAMPLE_FACTORS human serum A_99 Treatment:high-altitude group RAW_FILE_NAME=648 SUBJECT_SAMPLE_FACTORS human serum A_1 Treatment:plain group RAW_FILE_NAME=1 SUBJECT_SAMPLE_FACTORS human serum A_10 Treatment:plain group RAW_FILE_NAME=12 SUBJECT_SAMPLE_FACTORS human serum A_11 Treatment:plain group RAW_FILE_NAME=14 SUBJECT_SAMPLE_FACTORS human serum A_12 Treatment:plain group RAW_FILE_NAME=16 SUBJECT_SAMPLE_FACTORS human serum A_13 Treatment:plain group RAW_FILE_NAME=17 SUBJECT_SAMPLE_FACTORS human serum A_14 Treatment:plain group RAW_FILE_NAME=18 SUBJECT_SAMPLE_FACTORS human serum A_15 Treatment:plain group RAW_FILE_NAME=19 SUBJECT_SAMPLE_FACTORS human serum A_16 Treatment:plain group RAW_FILE_NAME=20 SUBJECT_SAMPLE_FACTORS human serum A_17 Treatment:plain group RAW_FILE_NAME=21 SUBJECT_SAMPLE_FACTORS human serum A_18 Treatment:plain group RAW_FILE_NAME=23 SUBJECT_SAMPLE_FACTORS human serum A_19 Treatment:plain group RAW_FILE_NAME=24 SUBJECT_SAMPLE_FACTORS human serum A_2 Treatment:plain group RAW_FILE_NAME=3 SUBJECT_SAMPLE_FACTORS human serum A_20 Treatment:plain group RAW_FILE_NAME=25 SUBJECT_SAMPLE_FACTORS human serum A_21 Treatment:plain group RAW_FILE_NAME=31 SUBJECT_SAMPLE_FACTORS human serum A_22 Treatment:plain group RAW_FILE_NAME=32 SUBJECT_SAMPLE_FACTORS human serum A_23 Treatment:plain group RAW_FILE_NAME=33 SUBJECT_SAMPLE_FACTORS human serum A_24 Treatment:plain group RAW_FILE_NAME=34 SUBJECT_SAMPLE_FACTORS human serum A_25 Treatment:plain group RAW_FILE_NAME=35 SUBJECT_SAMPLE_FACTORS human serum A_26 Treatment:plain group RAW_FILE_NAME=38 SUBJECT_SAMPLE_FACTORS human serum A_27 Treatment:plain group RAW_FILE_NAME=41 SUBJECT_SAMPLE_FACTORS human serum A_28 Treatment:plain group RAW_FILE_NAME=43 SUBJECT_SAMPLE_FACTORS human serum A_29 Treatment:plain group RAW_FILE_NAME=44 SUBJECT_SAMPLE_FACTORS human serum A_3 Treatment:plain group RAW_FILE_NAME=4 SUBJECT_SAMPLE_FACTORS human serum A_30 Treatment:plain group RAW_FILE_NAME=45 SUBJECT_SAMPLE_FACTORS human serum A_31 Treatment:plain group RAW_FILE_NAME=47 SUBJECT_SAMPLE_FACTORS human serum A_32 Treatment:plain group RAW_FILE_NAME=48 SUBJECT_SAMPLE_FACTORS human serum A_33 Treatment:plain group RAW_FILE_NAME=49 SUBJECT_SAMPLE_FACTORS human serum A_34 Treatment:plain group RAW_FILE_NAME=50 SUBJECT_SAMPLE_FACTORS human serum A_35 Treatment:plain group RAW_FILE_NAME=51 SUBJECT_SAMPLE_FACTORS human serum A_36 Treatment:plain group RAW_FILE_NAME=52 SUBJECT_SAMPLE_FACTORS human serum A_37 Treatment:plain group RAW_FILE_NAME=56 SUBJECT_SAMPLE_FACTORS human serum A_38 Treatment:plain group RAW_FILE_NAME=57 SUBJECT_SAMPLE_FACTORS human serum A_39 Treatment:plain group RAW_FILE_NAME=58 SUBJECT_SAMPLE_FACTORS human serum A_4 Treatment:plain group RAW_FILE_NAME=5 SUBJECT_SAMPLE_FACTORS human serum A_40 Treatment:plain group RAW_FILE_NAME=59 SUBJECT_SAMPLE_FACTORS human serum A_41 Treatment:plain group RAW_FILE_NAME=60 SUBJECT_SAMPLE_FACTORS human serum A_42 Treatment:plain group RAW_FILE_NAME=61 SUBJECT_SAMPLE_FACTORS human serum A_43 Treatment:plain group RAW_FILE_NAME=62 SUBJECT_SAMPLE_FACTORS human serum A_44 Treatment:plain group RAW_FILE_NAME=63 SUBJECT_SAMPLE_FACTORS human serum A_45 Treatment:plain group RAW_FILE_NAME=64 SUBJECT_SAMPLE_FACTORS human serum A_46 Treatment:plain group RAW_FILE_NAME=66 SUBJECT_SAMPLE_FACTORS human serum A_47 Treatment:plain group RAW_FILE_NAME=70 SUBJECT_SAMPLE_FACTORS human serum A_48 Treatment:plain group RAW_FILE_NAME=72 SUBJECT_SAMPLE_FACTORS human serum A_49 Treatment:plain group RAW_FILE_NAME=73 SUBJECT_SAMPLE_FACTORS human serum A_5 Treatment:plain group RAW_FILE_NAME=7 SUBJECT_SAMPLE_FACTORS human serum A_50 Treatment:plain group RAW_FILE_NAME=74 SUBJECT_SAMPLE_FACTORS human serum A_51 Treatment:plain group RAW_FILE_NAME=75 SUBJECT_SAMPLE_FACTORS human serum A_52 Treatment:plain group RAW_FILE_NAME=77 SUBJECT_SAMPLE_FACTORS human serum A_53 Treatment:plain group RAW_FILE_NAME=82 SUBJECT_SAMPLE_FACTORS human serum A_54 Treatment:plain group RAW_FILE_NAME=84 SUBJECT_SAMPLE_FACTORS human serum A_55 Treatment:plain group RAW_FILE_NAME=85 SUBJECT_SAMPLE_FACTORS human serum A_56 Treatment:plain group RAW_FILE_NAME=87 SUBJECT_SAMPLE_FACTORS human serum A_57 Treatment:plain group RAW_FILE_NAME=89 SUBJECT_SAMPLE_FACTORS human serum A_58 Treatment:plain group RAW_FILE_NAME=90 SUBJECT_SAMPLE_FACTORS human serum A_59 Treatment:plain group RAW_FILE_NAME=91 SUBJECT_SAMPLE_FACTORS human serum A_6 Treatment:plain group RAW_FILE_NAME=8 SUBJECT_SAMPLE_FACTORS human serum A_60 Treatment:plain group RAW_FILE_NAME=92 SUBJECT_SAMPLE_FACTORS human serum A_61 Treatment:plain group RAW_FILE_NAME=93 SUBJECT_SAMPLE_FACTORS human serum A_62 Treatment:plain group RAW_FILE_NAME=94 SUBJECT_SAMPLE_FACTORS human serum A_63 Treatment:plain group RAW_FILE_NAME=98 SUBJECT_SAMPLE_FACTORS human serum A_64 Treatment:plain group RAW_FILE_NAME=99 SUBJECT_SAMPLE_FACTORS human serum A_65 Treatment:plain group RAW_FILE_NAME=102 SUBJECT_SAMPLE_FACTORS human serum A_66 Treatment:plain group RAW_FILE_NAME=103 SUBJECT_SAMPLE_FACTORS human serum A_67 Treatment:plain group RAW_FILE_NAME=104 SUBJECT_SAMPLE_FACTORS human serum A_7 Treatment:plain group RAW_FILE_NAME=9 SUBJECT_SAMPLE_FACTORS human serum A_8 Treatment:plain group RAW_FILE_NAME=10 SUBJECT_SAMPLE_FACTORS human serum A_9 Treatment:plain group RAW_FILE_NAME=11 #COLLECTION CO:COLLECTION_SUMMARY Blood samples were obtained from both groups using evacuated blood collection CO:COLLECTION_SUMMARY tubes (Becton Dickinson MEDICAL DEVICES (Shanghai) Co., Ltd). The samples were CO:COLLECTION_SUMMARY left undisturbed for 30 minutes and then subjected to centrifugation at 5000 CO:COLLECTION_SUMMARY rpm/min for 15 minutes at a temperature of 4℃. After centrifugation the serum CO:COLLECTION_SUMMARY samples were collected and stored at -80°C before use. CO:SAMPLE_TYPE Serum #TREATMENT TR:TREATMENT_SUMMARY The study enrolled two distinct groups: a plain group (PL) comprising 67 adult TR:TREATMENT_SUMMARY males from the Chengdu plain in Sichuan, and a high-altitude group (HA) TR:TREATMENT_SUMMARY comprising 163 adult males from Tibet residing at altitudes ranging from 3500m TR:TREATMENT_SUMMARY to 4500m. They were all graduated from Chengdu Medical College and enrolled in TR:TREATMENT_SUMMARY this study with the patients' consent and the sampling process was strictly TR:TREATMENT_SUMMARY consistent.The study received approval from the Ethics Committee of the Academy TR:TREATMENT_SUMMARY of Military Medicine, Chinese Academy of Military Sciences, with the approval TR:TREATMENT_SUMMARY number AF/SC-08/02.153. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The serum samples were mixed with 4-fold volumes of iced acetonitrile, which SP:SAMPLEPREP_SUMMARY included 0.001mg/mL 4-chloro-DL-phenylalanine as an internal standard. The SP:SAMPLEPREP_SUMMARY mixture was incubated on ice for 15 minutes to facilitate protein removal. SP:SAMPLEPREP_SUMMARY Following centrifugation at 20,000 g at 4°C for 10 minutes, the supernatants SP:SAMPLEPREP_SUMMARY were carefully collected into new microcentrifuge tubes. After another round of SP:SAMPLEPREP_SUMMARY centrifugation under the same conditions, the samples were transferred to sample SP:SAMPLEPREP_SUMMARY vials for metabolomics analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY In this study, a newly developed precision-targeted metabolomics method with a CH:CHROMATOGRAPHY_SUMMARY UPLC-TQ/MS system (Agilent 1290 Infnity, Agilent Technologies, USA; Agilent 6495 CH:CHROMATOGRAPHY_SUMMARY QQQ, Agilent Technologies, USA) in a DMRM scan-mode was applied to analyze the CH:CHROMATOGRAPHY_SUMMARY metabolome of interest from trial samples (serum, liver tissues and stool). CH:CHROMATOGRAPHY_SUMMARY Briefly, the method was performed with an ACQUITY UPLC HSS T3 column (2.1 mm CH:CHROMATOGRAPHY_SUMMARY i.d. × 100 mm, 1.8 μm; Waters); mobile phase A and B were water and CH:CHROMATOGRAPHY_SUMMARY acetonitrile with 0.1% formic acid (v/v) respectively. The flow rate was at 0.3 CH:CHROMATOGRAPHY_SUMMARY mL/min and the column temperature was maintained at 40 ℃. The samples were CH:CHROMATOGRAPHY_SUMMARY placed in an auto-sampler maintained at 4 °C with a 5 μL injection volume. The CH:CHROMATOGRAPHY_SUMMARY optimized gradient-elution program, as follows: 0-2 min, 98% A; 2-10 min, 98-65% CH:CHROMATOGRAPHY_SUMMARY A; 10-12 min, 65-20% A; 12-14 min, 20-2% A; 14-30 min, 2% A. CH:METHODS_FILENAME Chromatography.pdf CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:COLUMN_TEMPERATURE 40 ℃ CH:FLOW_GRADIENT 0-2 minutes, 98% A 2-10 minutes, 98%-65% A 10-12 minutes, 65%-20% A 12-14 CH:FLOW_GRADIENT minutes, 20%-2% A 14-30 minutes, 2% A. CH:FLOW_RATE 0.3 ml/min CH:SOLVENT_A 100% water + 0.1% formic acid CH:SOLVENT_B 100% acetonitrile + 0.1% formic acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE MS.pdf #MS MS:INSTRUMENT_NAME Agilent 6495 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:MS_COMMENTS Agilent MassHunter Workstation Data Acquisition Agilent MassHunter MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts MS_METABOLITE_DATA_START Samples A_100 A_101 A_102 A_103 A_104 A_105 A_106 A_107 A_108 A_109 A_110 A_111 A_112 A_113 A_114 A_115 A_116 A_117 A_118 A_119 A_120 A_121 A_122 A_123 A_124 A_125 A_126 A_127 A_128 A_129 A_130 A_131 A_132 A_133 A_134 A_135 A_136 A_137 A_138 A_139 A_140 A_141 A_142 A_143 A_144 A_145 A_146 A_147 A_148 A_149 A_150 A_151 A_152 A_153 A_154 A_155 A_156 A_157 A_158 A_159 A_160 A_161 A_162 A_163 A_164 A_165 A_166 A_167 A_168 A_169 A_170 A_171 A_172 A_173 A_174 A_175 A_176 A_177 A_178 A_179 A_180 A_181 A_182 A_183 A_184 A_185 A_186 A_187 A_188 A_189 A_190 A_191 A_192 A_193 A_194 A_195 A_196 A_197 A_198 A_199 A_200 A_201 A_202 A_203 A_204 A_205 A_206 A_207 A_208 A_209 A_210 A_211 A_212 A_213 A_214 A_215 A_216 A_217 A_218 A_219 A_220 A_221 A_222 A_223 A_224 A_225 A_226 A_227 A_228 A_229 A_230 A_68 A_69 A_70 A_71 A_72 A_73 A_74 A_75 A_76 A_77 A_78 A_79 A_80 A_81 A_82 A_83 A_84 A_85 A_86 A_87 A_88 A_89 A_90 A_91 A_92 A_93 A_94 A_95 A_96 A_97 A_98 A_99 A_1 A_10 A_11 A_12 A_13 A_14 A_15 A_16 A_17 A_18 A_19 A_2 A_20 A_21 A_22 A_23 A_24 A_25 A_26 A_27 A_28 A_29 A_3 A_30 A_31 A_32 A_33 A_34 A_35 A_36 A_37 A_38 A_39 A_4 A_40 A_41 A_42 A_43 A_44 A_45 A_46 A_47 A_48 A_49 A_5 A_50 A_51 A_52 A_53 A_54 A_55 A_56 A_57 A_58 A_59 A_6 A_60 A_61 A_62 A_63 A_64 A_65 A_66 A_67 A_7 A_8 A_9 Factors Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:high-altitude group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group Treatment:plain group 2-hydroxy-2-phenylpropanoic acid 1692378.6300 1545583.7900 1304681.4900 1395047.4800 669772.5500 1075950.1000 832545.4000 1374928.4800 792732.2300 637817.3000 1271451.6600 1289584.1700 1128315.0200 585758.1700 938198.5200 346300.9200 400469.4900 878577.4100 830438.6500 844517.3200 1025299.6300 592661.0700 525201.2800 578764.5300 1394679.7700 2355576.4400 1573339.0000 783923.8700 1311406.9100 1443293.0800 961911.9700 877228.9000 951652.8500 950268.3900 1183747.5800 1503748.9600 1332869.5000 1187815.4300 1660836.5200 877256.6900 1259184.9500 1558636.5800 519282.5300 1298361.3900 86355.8700 125100.6000 460601.3800 181268.4400 141588.2900 271941.6900 239537.4200 592624.1500 741137.2300 756664.7200 409633.4100 614011.8300 724438.7200 973702.7800 350028.9200 386914.5900 216602.4200 414267.2300 240574.6300 272651.7100 424377.2100 518398.0200 434372.6900 774050.4900 371341.4900 708598.0200 989532.1800 650483.7500 987303.8200 154892.0200 138693.1200 98201.2000 140208.0200 171530.8000 94270.2500 150394.4900 188011.9200 475729.8800 424597.0000 522764.9000 199785.2300 516057.6300 470760.9100 353129.0800 284258.1600 820970.8500 1048630.4100 429810.0200 1539975.4300 1144589.2700 1342629.1100 1162132.7600 536806.0600 602805.1500 1266054.3500 974820.8400 935216.7800 337744.1300 130519.3700 244572.9200 280942.7500 193845.1700 599682.2700 950741.9900 192559.1400 66309.3200 193751.6200 197886.3400 220167.7000 61174.5300 451834.5800 912569.4500 358386.7100 141387.9200 402042.6000 492677.7100 625820.0400 124939.9900 145748.2200 208304.3900 410015.2000 243434.1500 431048.6500 768226.5100 741660.1500 395368.2900 185857.9500 261555.4700 198487.0400 616455.2500 1111087.7100 1514190.7800 978097.3100 1509810.8200 1192974.2900 1627088.3600 1605966.0300 1170959.2800 989890.8600 904281.9900 1396644.4000 860599.6700 1470539.1100 955725.2600 1328923.9500 1357402.7600 1362984.5200 1564617.5300 2182614.1800 2316607.3100 2040190.0300 1520087.8200 1841552.1700 1264829.8300 1899229.0300 1900777.8000 1723860.9300 1170152.5500 1593146.3100 319735.1200 377704.9800 450699.8400 316951.1000 398336.4100 531232.2100 469152.2900 154906.8800 366176.9800 157904.6300 497482.9400 344312.8700 346515.4800 371482.0400 171929.9500 595421.9900 316675.9600 512553.8200 484404.0300 237920.4700 278348.0300 254081.4700 523050.7700 301424.5800 503341.2800 380529.5700 454913.4700 327950.9000 633567.4100 354577.6200 404965.2200 351147.0200 236326.3700 327700.1900 322715.1000 200998.1700 273490.8000 749835.2000 330439.6800 131954.3700 142690.4800 782360.3900 203965.3000 128809.0000 286805.7500 404949.2100 290725.4600 509739.9200 423262.9200 406498.6500 754219.3000 290597.7500 409001.5000 465035.4600 663575.6500 163057.2400 997628.7000 332074.4700 775512.6200 648108.7500 486573.5900 617432.1700 441598.3100 366424.6900 603898.2100 351003.1300 362183.5300 2-Ketoglutaric acid 21032.0560 16233.8980 7294.8530 3934.2190 21204.9230 8086.1920 7752.0400 39029.4240 45440.8420 16784.2060 11891.9780 5420.4150 23627.2920 24844.5800 7379.0170 14356.7750 17815.6170 15501.7360 18336.3960 12933.6150 18334.3330 29547.5560 23350.0510 6417.4550 16666.2960 26183.7550 17436.1590 45186.3830 34705.8670 25435.5990 27062.8860 24380.0000 14101.1950 32445.9370 24863.0960 16751.5840 17893.3610 25342.7860 5811.5900 25540.8960 8238.4150 29228.2450 12860.0130 10345.7470 9202.8400 9547.4700 12296.6320 24267.1300 7479.4860 17350.2130 19484.1370 25709.8840 31128.5250 15365.8550 14442.2070 36366.9330 16306.2640 20084.2140 14874.7390 3389.6420 14283.2660 1793.3420 6929.9950 9032.8070 19529.7520 24911.2590 31527.7680 14511.0560 22105.7760 3293.7390 7404.3990 15814.9380 8856.0550 5640.8590 11277.4760 5565.0740 9620.8720 11657.3430 18371.4830 17691.7060 25727.0740 25415.1560 13261.4360 7821.2640 11133.2140 35014.7250 25014.2660 10676.0680 15930.0050 16583.3370 23092.3330 8171.0210 22315.5590 4666.7780 2043.6970 13674.0300 13298.1810 23019.6590 17969.9660 21155.7370 37732.8440 13590.9720 11884.7590 13782.8380 8698.1640 10999.7140 9236.3550 15038.7040 3451.2560 6158.6580 5915.0490 15152.8900 9764.3770 16763.9020 6934.9230 18375.1350 24259.8180 30310.1110 20484.2260 16500.4070 9973.8410 12871.0090 14905.0720 25428.4940 19650.8320 12424.0710 26028.5450 9144.2230 23055.3000 9714.1620 27405.6540 18411.3930 17339.7540 15957.9050 21764.7010 12709.7270 17073.2950 18203.0880 10909.5430 1455.5880 15445.8110 18903.8440 21376.7870 62794.3290 29091.2830 19378.0080 27816.1100 43485.9340 14322.3620 13821.4390 10896.7280 33312.5340 20956.2780 14834.2970 48961.7290 10278.3630 21150.6410 18872.7000 30192.8850 19471.5020 12500.3070 10349.3270 7565.6460 9602.3500 13835.9720 10201.7580 22462.6670 19172.3440 24279.4570 28125.5480 19059.8350 15735.6400 12220.9300 15763.9380 6492.3110 18176.7340 29133.8890 3603.1640 25567.4560 36647.8670 20379.6680 12439.2370 22979.5130 31602.4840 6785.7380 13820.4530 14559.9020 25957.0580 64017.7600 16091.1250 19729.7400 16284.8560 12061.6500 34012.2300 14940.0130 13883.2810 14709.5670 10902.9630 15559.1580 14056.3960 10601.6050 17270.3910 14594.1400 7421.0200 9915.3100 10738.7400 37681.3130 9471.5660 14587.8110 26347.6270 6591.3840 18952.2430 11555.2370 23889.7040 20623.5350 25439.3760 25696.7640 18595.6150 16504.8740 32060.4880 6672.4050 23580.3850 18448.3810 30116.1980 24416.1710 10435.4950 14421.8610 7654.4670 18896.4050 14511.7560 3-Hydroxyphenylpropionic acid 1692378.6300 1545583.7900 1304681.4900 1395047.4800 669772.5500 1075950.1000 832545.4000 1374928.4800 792732.2300 637817.3000 1271451.6600 1289584.1700 1128315.0200 585758.1700 938198.5200 346300.9200 400469.4900 878577.4100 830438.6500 844517.3200 1025299.6300 592661.0700 525201.2800 578764.5300 1394679.7700 2355576.4400 1573339.0000 783923.8700 1311406.9100 1443293.0800 961911.9700 877228.9000 951652.8500 950268.3900 1183747.5800 1503748.9600 1332869.5000 1187815.4300 1660836.5200 877256.6900 1259184.9500 1558636.5800 519282.5300 1298361.3900 86355.8700 125100.6000 460601.3800 181268.4400 141588.2900 271941.6900 239537.4200 592624.1500 741137.2300 756664.7200 409633.4100 614011.8300 724438.7200 973702.7800 350028.9200 386914.5900 216602.4200 414267.2300 240574.6300 272651.7100 424377.2100 518398.0200 434372.6900 774050.4900 371341.4900 708598.0200 989532.1800 650483.7500 987303.8200 154892.0200 138693.1200 98201.2000 140208.0200 171530.8000 94270.2500 150394.4900 188011.9200 475729.8800 424597.0000 522764.9000 199785.2300 516057.6300 470760.9100 353129.0800 284258.1600 820970.8500 1048630.4100 429810.0200 1539975.4300 1144589.2700 1342629.1100 1162132.7600 536806.0600 602805.1500 1266054.3500 974820.8400 935216.7800 337744.1300 130519.3700 244572.9200 280942.7500 193845.1700 599682.2700 950741.9900 192559.1400 66309.3200 193751.6200 197886.3400 220167.7000 61174.5300 451834.5800 912569.4500 358386.7100 141387.9200 402042.6000 492677.7100 625820.0400 124939.9900 145748.2200 208304.3900 410015.2000 243434.1500 431048.6500 768226.5100 741660.1500 395368.2900 185857.9500 261555.4700 198487.0400 616455.2500 1111087.7100 1514190.7800 978097.3100 1509810.8200 1192974.2900 1627088.3600 1605966.0300 1170959.2800 989890.8600 904281.9900 1396644.4000 860599.6700 1470539.1100 955725.2600 1328923.9500 1357402.7600 1362984.5200 1564617.5300 2182614.1800 2316607.3100 2040190.0300 1520087.8200 1841552.1700 1264829.8300 1899229.0300 1900777.8000 1723860.9300 1170152.5500 1593146.3100 319735.1200 377704.9800 450699.8400 316951.1000 398336.4100 531232.2100 469152.2900 154906.8800 366176.9800 157904.6300 497482.9400 344312.8700 346515.4800 371482.0400 171929.9500 595421.9900 316675.9600 512553.8200 484404.0300 237920.4700 278348.0300 254081.4700 523050.7700 301424.5800 503341.2800 380529.5700 454913.4700 327950.9000 633567.4100 354577.6200 404965.2200 351147.0200 236326.3700 327700.1900 322715.1000 200998.1700 273490.8000 749835.2000 330439.6800 131954.3700 142690.4800 782360.3900 203965.3000 128809.0000 286805.7500 404949.2100 290725.4600 509739.9200 423262.9200 406498.6500 754219.3000 290597.7500 409001.5000 465035.4600 663575.6500 163057.2400 997628.7000 332074.4700 775512.6200 648108.7500 486573.5900 617432.1700 441598.3100 366424.6900 603898.2100 351003.1300 362183.5300 Azelaic acid 204438.3600 183362.4500 148296.5800 153805.6600 176169.7900 164406.1400 176195.2200 185734.9100 184536.5800 164000.4800 165326.8500 165930.3200 155934.7200 170968.5100 148793.1300 145021.2100 161896.8700 174416.4000 151822.8500 190203.1100 171695.6800 163393.9000 180345.8600 168622.5600 604576.4900 992938.9500 1031919.5500 669299.8500 88794.7100 83274.0700 83883.5500 78429.0500 79366.4000 24963.0300 71219.1000 75216.1200 59809.4800 73860.1300 89870.9900 71732.9600 69061.2100 85090.3000 818023.6300 83243.1700 60198.1700 60804.8400 19818.7200 46554.3600 160920.2800 157275.1900 23972.0500 40514.9500 36154.3200 457855.2700 43662.2500 32150.3800 42989.2800 54497.9600 53752.0900 40170.4700 38490.6100 52845.3500 43924.0500 21208.7000 39488.5600 51838.9600 49770.2500 54789.1500 40994.4100 28204.2800 73005.4800 79754.4100 69818.7400 29875.8500 34047.8400 28206.2600 37090.2200 19278.2200 53724.2300 43104.8800 56258.7000 40966.7000 39075.4000 28986.4600 33794.2900 38487.2800 42833.7400 40531.7900 39127.4100 73992.4100 62927.7700 58006.0200 75989.5700 78825.1800 80587.9600 65928.4700 54544.9900 53788.7800 176779.4700 103728.1400 113161.6000 42275.1000 34959.2300 33641.6100 30949.9100 19949.4000 68393.8100 103822.2800 38211.6600 31209.4200 29951.6200 11069.2100 34492.6200 26964.3000 25646.6000 57500.6400 76828.0000 55724.5100 34346.0800 28656.5800 40458.4700 62417.1100 42778.0400 6939.8300 51718.5000 33024.7000 63211.8000 58550.9800 85743.8800 39014.9200 46267.1300 47319.3800 50164.1500 45069.8600 95152.5500 78713.5800 86247.1200 84784.0400 89294.3400 91687.1300 88080.1600 101123.4900 81260.4400 91701.8500 92579.3900 132039.9400 90865.4000 95542.0800 72475.9100 80795.3200 87584.3900 82433.8600 133382.0600 124542.2400 112576.4100 104029.4100 127428.7200 64352.0600 110479.3500 98552.4000 145702.2800 113410.6400 127591.4500 29771.6100 55555.0200 57792.9900 48122.2200 65912.6800 83990.1100 58213.8500 65710.8000 79454.0400 65945.1000 70354.8800 30158.9800 83348.1600 90978.3800 76940.3600 88558.5600 102626.2100 87237.9500 87578.7800 87664.8600 54302.2300 71955.2100 52251.7000 100600.8100 102847.8800 98532.2400 94723.7200 78749.5800 46409.9100 23883.9500 30597.6800 38094.1000 25169.4600 35696.9200 40582.6300 41350.3600 38065.3900 45882.7400 35554.9400 43455.6700 30445.6800 38604.2100 27419.9600 38978.0400 28339.5000 43107.7300 31508.2100 40911.7200 63431.4500 44592.5000 59898.2000 42512.2300 52140.0900 55596.1800 45707.4300 54012.9500 62627.3500 47961.2400 53984.2000 19734.4600 49848.5300 36906.5200 52512.2300 44194.2500 57510.2300 55615.5700 62575.1000 Cholic acid 11564.1255 491.8690 10736.2388 713.5913 11559.1006 7040.7484 12984.0305 2654.1478 16797.5975 10001.6515 6940.7642 8592.7827 32546.4528 64640.5474 4246.3646 14821.7588 54971.8598 8022.4778 3375.5652 14123.3300 6129.7743 35399.1844 17298.6174 20982.7853 6533.6546 14010.8137 30633.3950 43396.1538 16839.8695 63795.3177 98749.2625 2862.0159 26919.5477 8372.6484 4536.7922 6966.7231 7436.6097 112611.0934 24403.7093 5220.1695 8222.8736 3392.3180 18303.8431 2893.6454 919.2209 4468.4531 5396.6338 2777.2105 7628.8840 3960.8745 2615.0284 2652.5290 3536.2263 6385.0694 91110.0341 9100.8748 75621.3314 1759.9448 2546.9517 3923.4934 22733.7038 13799.3394 914.2662 2729.8434 1219.3570 37197.4614 6237.3105 17030.2142 3593.6505 20189.7557 6652.2424 3391.9466 4519.3390 7897.3503 15317.3576 55950.5732 540.3628 4023.0245 11386.5559 41843.6118 2084.7352 131250.5416 9700.2480 24939.7939 6456.7694 1833.1421 6334.7121 47047.3483 4296.8837 3529.7399 1474.9970 14223.7704 7532.5696 61339.8668 32858.3636 854.5131 14876.0677 38976.6802 6326.6886 25900.7357 146238.0481 52556.6156 66732.6847 5734.6061 4318.7955 6523.4676 14169.3358 91639.6094 1799.4943 3685.9301 2364.4868 8096.5158 5470.3705 6855.0599 3166.3508 34337.3212 19567.0571 9507.8902 7226.2566 9421.9334 24812.5911 20928.8868 15728.4725 44041.4487 171146.0651 25578.0915 29160.0374 2719.0108 1551.6760 13029.0713 179144.7705 2502.5789 24553.7001 1387.7804 8163.4842 8138.3208 240.7857 2608.4297 47802.7652 1961.2590 72358.1207 15124.9873 4367.1778 9319.6745 33461.9385 151478.8583 4875.8056 11989.8586 19525.7438 70080.1973 134076.5978 8822.2335 10573.7541 15381.4157 9536.6290 43615.0745 5660.5447 8995.1087 22180.0343 6368.2670 27237.5430 3895.4309 2357.5366 3116.6723 8571.8687 59506.8765 28796.0865 1539.2958 9865.1500 3889.9305 30632.3982 21990.5650 5643.4820 9697.6544 9572.6621 6836.4777 11986.5372 1140.5389 114054.4259 5225.9285 1529.2852 6998.0532 2265.4165 13100.0376 6436.5766 11461.6377 45724.5740 5503.5162 4049.0650 16899.1000 3931.4046 71820.6851 6231.5788 18741.7133 40514.3675 8552.7648 6841.9570 3297.2233 5645.8598 10856.0483 3420.7274 229.9454 334223.8439 7672.1332 201043.2428 21750.1437 15832.9722 4098.2642 110404.8168 36987.3214 6215.8781 7220.0990 3247.0064 85912.3956 50911.2556 14068.6057 11114.2745 7104.0508 7962.0889 6264.8408 11033.5862 6248.1014 6401.6943 3492.8464 9099.9292 5434.6927 245317.4122 4831.3298 22976.1843 4635.4788 Citrate 31392.3970 87466.5830 50862.3890 65789.7750 328903.4290 604606.0240 1695.9360 792938.6550 186275.9000 133772.4490 303875.8010 120095.4660 2212000.8500 196580.2770 2990797.2890 146267.7900 30402.4100 3932363.0980 96123.1450 86710.1530 1842049.3490 105893.1320 109591.5400 132003.2390 1813761.8450 62218.1600 12846.3330 3810931.6230 232655.6440 88270.4620 146630.7280 145330.1200 244867.8880 158027.3590 2137310.2310 153690.2540 365478.3140 854501.3660 2245604.1750 181312.3670 1930511.8560 1096451.3530 42229.7590 136085.1140 120092.5420 158055.0860 330890.3620 921128.6680 51672.7990 858485.4410 235820.7070 38285.1290 192855.7270 421809.2610 283131.4030 58879.6730 100263.6730 24688.0160 49056.8950 26859.5870 65574.7860 34762.5550 38743.8940 113101.0100 104035.1830 106748.9920 345436.7600 77673.8880 76610.6570 60005.4020 80787.9930 51079.5480 94317.3950 151793.0370 53022.7070 71368.3490 100018.2430 37570.6500 101599.6370 16185.9500 915485.4740 573171.8730 93961.3440 155996.2320 29097.0910 572507.4360 878116.2380 318710.0920 247912.8560 210903.4190 133894.0140 88770.7510 133195.8390 95059.6800 96984.7270 101035.0350 52604.8930 75802.7680 2953.5220 15255.8070 48536.9120 1378517.0680 627183.6740 89661.0580 33289.3800 73220.6450 14624.1400 16958.4990 25277.3950 68631.7850 44362.3930 15118.6110 10179.5640 122445.3340 56314.8560 31183.6960 67358.5150 87783.0380 1685118.6750 56298.7080 22833.8130 49542.0840 47956.6650 1190919.2080 152392.9360 67054.6270 48261.3610 1403746.1890 32712.2740 215516.0330 75512.5560 155926.3410 73580.2560 45361.6440 144186.6600 199094.7250 215264.6740 245446.2060 436567.7380 208157.2440 223862.3800 764464.4040 1469886.4020 812209.4530 231310.7840 1594787.4810 311037.6740 609294.3040 404318.8560 252404.3590 150551.0660 180740.9700 238399.2530 150692.1670 3570886.3860 4004123.6730 199560.2790 2707786.0020 300826.5120 169213.4420 61033.4130 2846765.9270 126153.5490 103779.4600 92804.6660 37314.0420 365479.2380 321661.6020 352669.4360 236464.1740 72598.0890 104294.0500 195713.8330 74939.1570 134138.5950 85007.9230 97692.5840 75023.3490 57007.2730 70458.8070 122011.9220 146505.8310 157775.0910 474828.2240 106168.1590 97013.4980 49056.3670 153946.9350 196397.0060 126839.1690 122946.8360 74131.9410 43106.6590 58938.6030 75076.3940 28047.6800 119737.0980 21150.2110 37774.2650 155311.7090 63591.1260 76853.1800 14281.0180 44080.3420 14825.4990 43948.0560 382118.5480 171638.4210 35169.7330 189152.7030 95648.8690 84020.6640 82066.3560 88195.5460 141337.5720 120076.1860 97792.4580 208921.9390 116118.2740 83072.9370 5469.2400 62047.5160 178212.3480 74593.4990 77754.6000 143146.7000 153117.2750 121206.1780 179607.6390 115352.6590 Deoxycholic acid 56940.0582 19991.3357 39105.3118 55621.8718 21390.1677 10245.8148 12606.7813 60030.4432 877.1700 1667.4684 350.0634 40594.7951 60585.8140 14410.4587 13928.2072 27331.1975 55962.8613 11152.9159 10035.5193 72614.8431 36452.4104 25390.7726 18064.2676 40177.8086 35436.8105 12647.0819 101859.2024 20976.2111 15950.3968 42068.5033 24097.4955 11375.9934 14224.7844 388.9905 456.5126 4756.5177 522.7251 47319.1771 37430.2466 6775.7606 205.8926 43994.0973 17793.6612 10868.2954 5725.1359 10251.3822 993.1571 14107.0215 1511.5939 30835.4086 4167.0626 1571.0097 547.5077 30311.0196 2690.7081 5407.7696 28663.1091 5570.0269 19017.9388 9729.2448 9479.1516 794.5702 15768.6107 34591.0611 8620.8583 265.6005 7827.8415 25472.7490 13391.9800 23390.1916 8390.1818 1290.1287 6208.6281 4654.3670 21378.0607 18994.4386 5375.6566 10806.6311 11713.1933 68.2960 4348.2695 10369.5889 5066.3676 19255.3068 6267.7855 20620.9921 133.7511 20337.8058 10755.9780 6125.9868 6719.7508 17364.2497 18673.3771 341.0101 30878.9031 25171.8069 16250.9417 18198.5775 35742.1022 10832.6346 2680.5267 19075.1992 10929.3227 3554.1154 14930.8281 2841.2181 29557.9629 33603.1925 8186.1649 5735.1235 5681.7748 16107.5244 11780.7867 4141.8643 22256.9171 4157.1034 8523.6697 1105.2136 7516.6875 4104.9531 22216.0588 15424.2034 8636.5135 27737.9918 90512.1952 16629.9974 30477.8865 11294.8266 13638.7667 18184.4063 51155.5168 10422.6059 44671.6548 32508.8026 205.4886 14809.1005 13063.2389 34897.3727 11836.6815 16837.2446 95293.6174 349.6090 57396.0939 33981.4776 65350.9261 32816.2077 429.5258 11676.8607 9897.8547 20090.0534 1670.2621 42263.6911 452.3426 41924.1206 317.3009 45244.1487 49152.8314 51527.7277 26781.7577 40216.3708 246.3180 11605.0367 11020.6474 12603.0338 2016.5206 20789.5525 19703.2501 2982.3336 12456.1695 12867.8404 18674.9356 38298.0813 27283.7344 34549.2324 913.5079 52156.0557 8461.9817 1860.1034 16281.3110 21398.9423 469.3470 1533.1838 11403.4572 5287.1821 11419.2426 12276.1131 20067.1786 23731.1068 31806.5318 2471.4784 86.3091 19207.2751 290.9007 293.0680 40711.4392 1131.6619 3016.5426 22791.4634 19486.3559 25056.2635 27392.8210 7886.3451 80919.2302 12762.6302 27152.9069 17832.5190 7392.4839 17647.3115 22435.9011 27283.2240 1658.0055 406.0063 35570.5946 18979.6435 862.4688 271.7037 13221.7745 10019.0338 17248.3885 18731.5951 38484.7951 14122.1673 9435.2003 10566.9536 5608.5593 4663.7044 32155.9855 4047.2524 13924.0350 2654.3639 D-Fructose 210878.3000 173855.9400 136536.4200 144769.0500 209156.8000 343937.7100 138535.4100 233788.1200 247525.3100 225834.6500 395364.3800 306684.9500 217237.3300 156648.3200 117734.0600 249338.6900 193641.1800 232302.2500 250978.3100 351193.0500 184928.7900 360030.2000 225446.6200 222930.3200 54091.0800 67613.7300 48909.8300 123573.6400 37440.7000 245433.4900 233632.2400 129725.5700 183140.3300 265572.3000 232065.1100 195548.8500 245056.7900 221992.1900 142619.3900 192829.1500 265077.4200 280923.8500 186041.8300 268710.6600 68562.7400 135560.5000 123906.9700 191512.7600 145580.7000 231826.3300 177828.3700 313648.4300 209928.3900 379537.5200 215996.7600 225944.8600 273329.4500 217987.1100 222475.0900 107126.3000 225383.9500 231237.2500 235645.2300 190529.8200 236618.7600 252269.5400 212236.8200 291687.0200 168221.8500 218730.4700 268215.6700 177609.2800 288940.9100 141772.1000 204567.9100 140807.2800 192790.5600 180960.2700 175456.4300 242540.6200 279689.3500 254948.3900 288871.1200 288448.3700 264014.1400 264797.3200 247345.4300 283438.7400 326182.7600 245760.6100 205539.5800 139255.8100 203295.4600 103171.3500 148663.2000 113377.7700 159755.7300 140198.6000 73426.0500 91445.3700 242382.1200 139280.1900 105603.0000 117722.9300 42078.5800 68841.2600 65982.6500 95359.5400 69253.4900 38702.9900 95842.1200 53686.6100 63675.9100 59495.9700 111662.9300 104452.7500 197254.7000 201920.6000 170396.8400 226746.5500 158721.9700 150927.6400 291486.7400 220663.3400 339945.9700 229516.0600 244255.3800 185301.7300 223547.3900 339928.9800 111168.0400 138850.2500 139939.6700 157034.9900 125925.7600 126819.5800 218892.9800 513751.7800 345136.0400 178168.1300 892341.6500 381162.3800 512427.8200 259025.5300 264474.0300 292199.6800 358261.4800 324514.5700 275410.4400 422666.1500 319533.0600 361684.6800 314605.3000 207399.1500 271176.7900 311822.0400 320872.6200 292424.0500 317690.8000 280991.1200 238341.0900 269809.6500 326399.5900 83112.1900 50128.5700 77438.1700 55526.4600 76390.9200 61482.6100 77048.9000 68359.9900 68153.7000 53329.9800 84311.9200 42270.3100 130105.2800 88713.4000 105744.7900 92144.8800 87837.2400 62014.4600 127638.2600 152873.7200 140459.2600 75471.9600 62403.1600 133814.4300 144344.0500 185671.0900 102261.0500 124827.5400 61485.1100 99440.2900 94749.9700 31645.3200 110795.1000 64704.5800 169338.9100 179482.4700 117542.7900 186849.2400 53110.2700 107852.4500 88489.4000 92718.5200 84711.9600 125204.0500 43952.1400 96268.0400 104913.4100 99087.6500 113151.3000 111724.0900 57762.7200 121257.2900 107578.2400 171380.1600 87338.5900 49251.5200 178109.0300 83068.3900 137469.8100 138408.5000 167343.2300 167217.2000 170704.2800 116054.6900 48557.3800 58959.7500 69980.1300 Docosahexaenoic acid 125139.7180 114289.1400 243671.6040 219214.3410 81937.7530 88709.8340 63833.4750 151719.6720 121281.6630 121078.0940 116203.5270 259086.8410 92764.3620 138744.9690 133153.2040 116958.2830 111182.7050 198457.3720 170528.7010 110862.0450 109134.1940 101430.3060 163175.7510 119189.5350 132167.1650 162882.8630 212876.7180 202033.4460 68449.1050 83984.6320 123147.3040 64015.5430 57775.0110 91252.6530 103875.3760 72824.4790 114286.7190 83537.9040 57768.2570 81379.9490 84217.4670 101772.5470 115396.3810 39547.7780 2240.6750 3838.1020 31716.2260 11476.2430 10216.0870 16632.1540 25100.6550 95013.1240 42738.7110 75136.9620 47924.5830 27085.8090 34702.7250 39379.1950 38397.4770 45318.0570 24961.4220 46873.8520 41402.1810 17714.8530 40845.8790 21538.5370 61856.3130 39191.9960 17487.8990 38908.1780 63226.2570 83416.8340 41908.5200 10897.0010 11019.6740 6652.9980 6866.3310 18450.4530 7410.4610 13793.8770 16935.3080 32814.1260 22936.6750 38994.9150 23519.9110 44665.3280 37950.3300 22117.1290 28239.2200 64772.2780 68697.4730 41461.6220 90031.0180 93999.4950 79017.1000 71717.7420 46360.4670 68867.3490 199423.1090 61879.8650 187746.5610 32366.7940 9940.8630 51667.8010 29558.8810 23731.9620 92782.8800 112504.2650 22338.4230 3673.2710 9183.5070 18473.3850 20993.2770 9502.9130 37478.1040 86866.9910 32117.2060 20496.9520 55812.2670 20795.6360 55804.3700 27495.2070 30038.0880 29292.8410 33593.8440 25331.6430 73170.6950 54657.6960 130845.3640 33733.1070 43246.4160 37671.2760 41724.9770 39888.1650 143131.1220 115111.6950 104179.3130 91774.9100 110154.9740 159758.9580 102573.3300 188299.8470 167151.1910 147546.4460 130622.3020 111664.0250 104303.7750 148506.0300 74443.2580 104121.9600 86138.6330 125617.3620 164462.7880 317635.7620 184929.3280 177023.0920 155100.5090 62335.8790 88914.1760 122797.0020 114685.8120 100210.6940 120857.1010 15558.9710 32836.6650 32231.7130 23349.8440 61026.8310 33973.5690 47385.3090 39109.3610 35364.2170 49708.2100 40637.7910 19283.3320 31669.9010 25933.2910 53050.5310 48021.4690 90297.8510 47198.7140 68056.2600 43129.5440 38852.1450 33145.6530 34364.7550 49997.9090 43569.4050 28326.8050 80855.3980 62504.7220 48881.8890 41646.6280 51847.6970 37750.7370 29876.6680 28390.3430 67873.3190 61177.2840 44260.0870 64167.8300 89102.6580 24193.7670 54219.9820 43298.9030 24918.4530 53539.3600 11865.2360 32843.3000 50242.2430 55469.7380 85196.2080 56826.8660 73692.9800 112001.2000 55057.8740 84469.5870 65212.1150 28822.4120 102506.5080 60226.7280 21636.7040 41039.9080 51405.9050 28136.3630 58626.4880 107054.1390 25707.6850 46162.0680 27409.2370 Gluconic acid 11889.2660 2359.2710 13733.9710 13818.9310 23221.1200 24026.9610 6659.9900 26247.1580 21679.9780 21950.7650 35026.2460 19117.7040 19982.6080 23105.2430 32268.5740 16211.8750 10055.7210 31851.6160 24312.0640 28440.3810 51607.8270 19103.2070 24770.8770 19640.7990 21927.5680 5290.2590 1582.1200 30808.5210 8231.0400 50875.0670 14909.7920 27025.3730 22203.6020 25720.2400 25193.4990 34782.1840 29392.5780 67475.6520 20531.6140 18427.1100 56166.8070 63542.9160 13457.8800 42906.6500 8037.6720 8409.5200 31079.7150 17414.3080 11129.4180 24388.5280 32921.6230 46314.3720 24225.1970 27527.0700 12955.2940 8424.6250 14165.7970 10733.5560 25118.7390 6445.6350 9772.9200 11264.8670 15845.7140 17200.5350 13111.5550 20312.4380 23202.1120 23102.3020 17883.2790 12898.9770 9771.3440 6348.0990 14728.2030 3776.8680 6929.8120 3970.6140 5614.4260 6528.9720 6860.4860 5172.5790 15944.4550 20149.7820 19450.0360 7361.9250 19717.9970 18888.0060 31075.6970 30093.0260 20976.2920 21567.6540 13921.9530 13708.4420 9058.9150 7252.0870 4842.8520 3474.0020 17769.4980 29130.8380 2140.9850 11833.6830 13939.8630 12072.0230 3148.4810 21048.0690 9826.0580 13717.9230 8588.4060 10862.8470 10215.7250 5897.8430 7294.7020 10549.7790 6727.2610 3994.7450 9339.3790 10782.2850 20173.5450 21750.5850 18092.4770 22514.6140 13247.8880 26338.3800 13753.4910 3508.8230 59846.0190 14255.6190 14472.2010 25483.2670 8224.7790 14656.0210 27109.8870 14484.3110 11524.2420 17312.2900 17229.2230 11314.9690 21253.0540 13770.6340 20347.4730 28046.2210 46051.8540 44170.8290 17048.9650 43375.4590 26167.2470 51259.3140 29128.1780 27776.5430 24119.4230 18138.3590 18833.2460 21408.5510 29342.9360 21951.0730 17392.3230 24573.4390 10067.5090 35340.7040 22801.8610 15710.6130 14379.3110 55023.4470 14385.8170 17546.6310 24299.5100 21590.7080 46658.2410 33799.9150 50049.2290 33110.8730 14718.0830 29009.4770 34341.1870 29232.5290 17960.8930 37242.9270 25991.4780 33672.6040 34831.9250 38894.4210 21620.7570 35259.8980 19529.2440 31360.9940 26665.4510 28750.1540 31874.9000 31677.3050 54030.3230 27312.1450 33561.6940 20670.7770 20251.1610 34103.9570 17825.0170 16507.9150 26308.0800 21758.1530 21212.1210 24089.7750 24718.6130 50896.9000 20356.9630 27568.6870 20273.4380 18365.0020 53227.3970 22789.5630 43944.3160 41782.1400 20793.2330 24523.9560 33309.7700 28835.1570 24847.4360 27699.3680 26575.4020 37527.3670 40600.5700 30132.1870 8839.9780 33500.3520 31398.4520 37626.0190 35927.4900 25286.0410 13967.8110 20486.1580 23248.4030 44413.1540 Glucose 224066.3300 272207.6800 271678.6200 193532.5900 339415.4100 521796.1900 302625.5300 443726.9000 344485.7100 344562.9800 562888.7800 411582.7400 283514.6200 188206.7800 172331.7200 417617.7000 326176.2000 242076.5100 302320.8900 475442.7900 199246.0700 502078.6500 285757.1600 316177.8400 101854.3200 104241.8900 120450.4900 156926.2500 116041.4200 239956.7700 308308.2000 197320.3500 256031.1600 356261.2700 299210.5300 328781.3900 321807.3800 319256.1100 256248.9700 355510.3500 309143.6100 420619.0200 233793.0900 370859.5200 104842.4500 175472.2800 222549.5900 255138.8600 190919.9100 348699.1600 245949.3800 498423.8700 334039.8700 542651.6000 281550.9400 406101.0000 340167.2900 366336.0600 331843.6500 146774.1700 319245.4200 374436.6300 261336.6700 237744.7800 355751.0900 405078.2400 279472.9200 393477.8900 223306.7200 265019.3200 337009.0700 273433.4200 338155.8900 221407.6100 256886.3300 168894.5100 273208.0700 237337.8300 275636.0200 297195.7700 399760.3200 385873.5500 469690.3600 424884.5800 424588.1000 372642.7300 357498.8300 547474.2500 511429.8000 329779.5700 250466.2700 186807.7400 381112.8200 181343.4100 239724.0800 156905.9000 253567.2400 209886.7100 157965.3500 149759.0400 242966.6600 168333.0600 160144.1400 175991.5000 63127.4700 112945.3500 111427.1400 108715.9300 119809.7300 57418.4600 130927.0200 68789.9000 102285.6300 74173.4900 138542.5000 198978.2500 220164.0000 243766.2100 233806.1400 298236.7000 247334.3800 204512.6100 474833.7000 312353.6300 424963.0700 275221.1800 320199.2600 291765.9600 312980.7500 501386.8300 178801.1200 213647.5400 219896.9200 249754.2700 221975.0300 175293.8700 246221.4200 706810.8800 508552.0300 242090.7300 1339732.2000 577280.1300 672253.3900 458738.2800 375970.7000 453193.5300 561049.8900 582894.4200 399763.9400 543263.6100 398039.5300 490362.9300 567966.8900 336268.7100 519403.3300 498483.4900 305100.5400 422179.7400 548680.1100 491804.4800 398465.9700 400401.5100 591539.1000 89104.0400 88594.2700 101420.5000 90777.5100 99204.7100 136814.1700 173492.5700 104494.8400 90085.8700 83380.9700 182092.2000 53938.8500 176105.2900 127969.6800 128820.1000 149139.4900 133183.5100 81856.2400 119528.6800 321131.7500 193327.1600 125986.6700 63347.2200 158813.8200 198766.1900 250658.3400 169240.8700 187585.2400 96340.0800 129100.7700 124113.6600 107243.2300 143994.2100 55246.5600 220138.9800 217867.8200 197601.9600 248774.9900 104285.7600 176940.6300 104595.1700 98732.5300 147700.6700 282240.1900 66890.7100 170940.9300 152598.1300 155999.3300 172906.3300 124775.6500 127870.8200 160796.5600 212209.4400 318575.1300 186768.1000 94641.3600 247712.1000 95303.6900 222549.3000 256213.2100 220851.9200 240541.9600 244808.6100 162205.9600 61379.6800 91097.2300 73462.6600 Glycochenodeoxycholic acid 99173.2410 17747.3870 199029.8660 48852.0940 47750.9340 44003.5780 104829.2100 94862.5640 670531.0740 55296.7760 355557.3120 158255.5780 178785.3010 113529.7650 37918.7210 59642.1020 89812.9800 341168.7300 12304.2110 232230.0390 23542.2370 74521.2080 148185.7700 28065.2730 214993.4970 73130.9700 173555.4610 164339.8480 50653.6940 13647.0100 497814.8540 31732.2430 66279.0050 217022.7780 48423.4180 53928.8690 37955.9330 106916.8520 108080.0600 124448.7880 148911.0840 56145.3510 237703.4810 28120.9690 16814.7930 31516.7850 24804.4900 198993.1350 44123.8250 33031.8790 21105.4990 21423.1430 80853.4150 22343.8590 41921.0540 46489.5810 14845.8530 14425.4940 35514.6560 28255.4690 78288.7770 54715.0710 42320.7080 55530.1760 51912.9990 260276.8270 54696.1190 38581.2620 184561.6450 27851.3020 63826.4700 80680.2580 93827.1960 66485.9730 25547.2260 21284.4260 38988.9850 61439.3680 18411.0070 38736.9800 7128.3110 42100.3380 81281.3930 36346.3140 11903.4140 160019.1400 135455.5080 33026.8270 211693.8440 35809.5410 27098.0400 24643.6910 94332.9980 104233.3600 84557.5000 16779.6220 69621.8220 31835.3370 50972.4040 101894.6010 238975.3080 95517.3930 32812.0790 34269.9610 101435.0150 117084.0020 99866.1710 36457.9900 36765.2540 19230.6250 38392.7310 119386.2580 211342.6020 13432.9700 42690.2530 19481.3380 72798.6760 177083.3960 25372.2820 92317.2520 108826.7460 36936.0610 108309.4770 196803.3250 89641.9260 73996.9180 50459.6160 121032.1020 35736.9110 11638.0210 36990.8540 20530.7190 176910.0550 82247.5310 198682.4080 79130.5340 240458.2220 87997.1100 1093035.2460 56237.6580 66459.3060 57436.9780 164142.8140 194505.1950 184652.6780 82772.8490 106421.8410 66865.2530 50870.6790 24619.7050 851822.0100 66739.1140 411662.4860 79799.8930 59914.3100 98076.5720 55429.4110 37583.5270 139538.7950 64363.7220 415994.8190 17772.5220 7123.7470 23983.5770 45619.9180 98604.4800 61610.3740 24371.2930 17629.5190 16039.5700 35698.9010 38548.9370 18764.3790 184969.6030 130193.7240 37163.5530 49368.3860 49819.4640 58284.1550 84201.5390 53870.3450 26417.7340 71221.1530 8815.3230 21347.4920 59692.9430 59092.7560 75019.9110 157969.0570 163560.7850 57380.8430 205917.6660 102863.3430 101290.0880 159249.5640 56755.9790 39676.9800 125942.9890 28204.7260 120924.2660 76303.9480 54926.6100 278002.3870 23815.5820 367299.3100 24633.2750 14050.0550 48854.3940 121215.0800 86514.4680 54768.2220 9268.4830 14032.8360 92297.5540 90089.4730 79598.5250 41904.6100 44340.0900 65138.6380 33121.9410 66422.5400 329439.2040 12845.4370 29963.3040 59065.2760 133701.4910 421596.2860 72042.3200 38321.4870 116671.1480 Glycocholic acid 77803.7190 10871.0130 699601.7550 57390.3860 70012.6330 24583.3570 105003.0250 182056.4700 909538.1960 147839.1050 95524.4890 220298.4000 202521.4060 271625.1320 33522.6370 215021.4720 65393.6590 527971.8960 16351.3870 226935.3540 26905.2930 85242.4790 149169.9780 32502.6840 76395.2720 37044.5160 94941.0640 120667.8340 27812.9850 22225.9750 586374.5400 34683.8900 142900.8550 338344.9230 31839.3970 59264.7370 20843.4930 98797.8380 292155.8270 85515.2290 341426.7170 50677.1010 109108.1110 47479.1980 7397.4490 43059.8690 41903.1670 570035.3280 161686.8030 78258.8050 40754.0450 38494.6090 151347.6410 30175.4030 43236.1000 93525.0690 32684.1380 15404.7700 35703.9220 30954.4760 93047.1620 29339.5570 55474.0760 79725.6960 62226.1090 235263.6210 41238.9630 57180.2490 194530.0380 24941.7390 49147.4460 54184.4340 66548.2950 131333.6350 90329.7140 40013.2780 43334.3540 88794.6100 28008.1710 27748.1230 23966.4800 49100.3680 199956.1890 53689.0870 17876.3980 259599.3540 176753.0400 63857.4650 702484.7590 34879.3740 29855.4310 24849.2660 65312.7370 48996.9200 100072.4360 11814.3300 34691.7860 15401.3970 28551.6220 63099.9410 233563.6620 67266.7780 24036.4410 24264.1340 118329.5800 145273.8730 159859.6750 70835.2920 46337.3900 30172.6940 46707.9730 169089.6110 272989.4430 21151.2120 66886.0990 27675.1640 83360.9760 156872.8750 25390.6050 100326.6280 181107.8100 33343.8060 117920.4420 334615.2630 45021.4660 208237.3500 78302.0190 148468.6470 68716.6840 24757.8730 61146.4380 15621.8090 117333.1520 99738.9440 230583.5340 55874.6910 309760.3610 105087.9360 2065649.2820 31761.7740 92156.6760 51092.2150 207693.0950 227535.2260 320472.2590 76062.0430 243546.8820 95154.3640 99195.2420 40180.5440 1087820.3150 53680.3710 280350.3790 36516.6010 42292.6230 172444.2430 62500.7120 39458.7880 63354.7000 71170.5970 521165.8340 29547.1760 9489.9910 24947.6060 75534.1170 112068.2680 31273.2680 23384.4260 22746.8880 14998.7760 35202.5270 157115.1290 46783.2030 182630.2530 278849.3420 103180.3200 38647.7700 45431.1300 53296.8190 128380.8260 82546.7090 31909.6630 48364.5940 12278.2500 33169.2470 29590.5510 91120.3270 81246.4420 337010.1120 214876.0440 29556.6850 302237.0870 160561.3860 84999.4960 278014.6420 60792.0020 55343.9110 139282.0000 17818.7370 51902.7600 148184.7710 40334.5220 431973.2870 37157.8540 205645.0780 23835.6690 22417.2760 69401.3070 98656.5660 87795.8940 54685.2120 11771.2480 24719.3200 90431.5500 70972.1650 54430.3130 85907.7150 49614.9610 89781.9660 78406.5180 96684.7830 474120.5180 15621.8560 26661.2160 81078.0840 120726.4280 609381.0640 86104.8720 41715.3850 114468.4900 Indoxyl sulfate 2471665.8700 205762.4000 473069.1400 666805.4500 780439.9800 756618.3200 155709.8500 543587.9100 228741.7100 250840.9300 477965.2000 346211.4800 1003783.6600 385905.1600 845177.8400 370580.9800 1444263.6700 457289.7600 1067866.3200 550306.8200 752878.8100 983309.9000 590158.2600 663469.2800 1022327.7600 582023.7400 1921847.0100 498100.2700 373720.5600 400015.1800 300110.8400 475901.6100 254535.1600 289525.5600 216810.1200 255414.2900 157182.7900 380581.6800 289531.1500 307889.3300 286340.7500 1046349.2200 1294375.6600 306102.5700 93194.7600 225950.9700 137329.4500 236159.4900 70563.4300 393001.1400 178559.3800 129751.7500 65434.4400 228201.2600 64363.2500 95507.3000 589979.8000 115885.6400 288876.6900 155316.1600 187404.9800 262670.2300 264737.4200 323576.6100 412190.2500 310508.5400 317206.9200 232909.0600 160151.0900 254485.6200 364264.4000 225578.0400 61354.0200 39095.1700 65041.1400 68590.9200 96909.4300 76636.2400 92524.0600 71312.7200 32296.3100 57622.9300 92189.0700 135094.7600 120122.0900 264695.6100 62336.7400 91455.4500 349835.9500 374025.0700 383549.0000 652841.7900 1021998.5300 217766.1600 122729.8000 707395.9700 312357.6400 329103.8800 840074.5900 898729.9300 275920.6200 273519.6000 88849.1600 332322.4300 225148.9100 131391.3000 327301.3700 770001.9700 103181.5500 55516.9100 55799.7100 134806.8800 284068.0800 37849.4100 156735.2700 63317.0900 143911.0300 55719.3900 134015.6000 86750.2800 305026.6500 77624.9900 123825.3700 123604.7400 201541.6200 96066.3900 430085.1500 270560.1700 684332.7600 210515.8900 129419.9300 710070.0100 293605.1300 156473.3200 489667.9000 641136.3700 555504.0200 845331.0300 357186.2400 325386.4900 562113.1100 301262.5100 449597.3200 463919.9600 791274.3700 718157.8200 275414.0400 231403.4900 385522.7600 336846.6000 57842.2700 1448882.4600 120529.6200 1342539.7000 692954.9400 729522.0900 1943447.1800 618687.7200 54603.6500 729161.4300 917880.3900 324057.1400 1386071.1000 111200.1800 376016.1900 530829.6600 418200.8700 171356.3200 211565.0600 87394.6700 287365.3500 362606.6000 193306.3400 86875.8200 133999.8900 671958.2000 163744.8300 105336.2800 149387.7600 200991.3000 63481.6500 196412.0700 75106.7100 484421.5400 169120.1300 500737.1100 192054.8500 641192.7300 389182.9300 79892.5500 146091.1900 139346.5700 84882.0600 148534.5900 329173.4400 203064.9400 66140.4100 409564.9200 733656.7500 156808.3600 470422.9600 93625.9200 414327.6800 193622.4800 196634.7000 124673.5800 40934.8000 172117.7000 477975.8700 599698.5900 92533.4900 153970.6200 495374.1000 247098.5000 306620.4900 72215.4000 490930.2400 367487.1900 250830.4700 653027.6100 190662.3900 87697.3400 319958.8200 212545.4000 72376.2500 92543.5900 110405.7100 230760.6700 394617.0300 178466.6200 Isocitric acid 391746.7480 541505.0430 286856.1500 605082.9980 2816353.4520 3603061.6560 1584.9130 5959911.8010 2475229.6710 1891266.7030 2618475.0650 1732297.3550 1357704.0380 3073064.1180 2249806.5820 2353885.8690 300179.9780 2995106.8850 1111176.8210 828560.0220 1596758.5590 1287469.5980 954767.4240 1490663.5310 1222420.6300 204187.1620 78514.6510 6371730.6920 1367949.5130 1349544.9640 1896021.2480 1341788.7330 2526066.2410 2412021.2360 2356002.3450 2465784.7850 3468412.0360 4768828.2000 1768036.5580 3149444.6650 4424889.9720 3468042.8260 475220.0010 1382978.2000 460851.4280 613732.6540 1700539.9210 1565717.5240 360014.9570 2058710.9650 988418.7270 511157.0010 1382063.8450 2567683.9470 2260500.1800 948785.5100 1030568.8350 208375.2470 756900.2130 420369.4460 715803.1630 383181.0720 403227.7740 894219.2210 1082903.1240 1115794.2170 2116592.8230 658358.9550 776067.9280 629636.1670 1028129.8810 728613.9550 854850.0980 396064.9750 337880.4660 341680.9580 468306.3010 315324.3280 386549.6750 179601.4110 2503667.8540 1463993.9330 999559.9690 934650.0490 384009.3140 2027605.2110 2248723.5500 1596005.7360 1216422.0720 2027743.1870 1221084.1920 1040510.8750 1214745.9170 493873.3280 624037.9410 677380.6630 550397.1690 994755.4820 26487.7400 153856.5760 101873.7210 920226.1960 2126103.3130 912561.0950 465644.9480 696687.4240 57871.1680 15494.5510 232996.7330 628290.7530 395455.1310 181313.2980 189372.8970 783959.5760 524362.6450 183993.6560 737271.8850 675341.3210 1081428.6160 595340.5710 205238.9320 677405.5800 415233.8170 927796.0230 1221396.0330 741123.2540 609978.6020 1067695.1590 218242.0430 176833.0730 662866.7710 1460453.2610 630806.7610 725535.2690 1816679.5130 1822119.9500 2299022.7170 2208380.5180 3769105.8330 3472326.4660 1919938.1060 4176354.3830 4291033.8490 3600737.7190 3006371.1310 5997698.7070 4399208.3540 3975911.8820 3183692.7840 3183017.9850 1860546.9850 2114138.5850 2088078.6220 1069726.4560 1922120.3700 3384039.9560 1791576.7300 5257116.3060 2961121.6730 1513382.3190 721273.8470 9769046.0450 1586366.2190 618269.1760 831626.0920 245406.4730 1743152.2960 1774125.2420 2334304.0660 1778422.2250 571008.7230 442331.7910 1452007.8320 971870.0250 825805.1540 612723.3930 574811.0080 416329.9650 414578.4920 563962.3450 709027.8370 1333308.6880 1150149.5870 2817644.8400 927871.1830 709668.9570 348966.9580 1152497.3100 2222496.6500 573922.7960 1258272.3540 1276491.9060 323063.5630 493539.0950 606971.9540 221888.1480 767767.5990 90481.2650 202923.4230 1036495.5280 339069.8790 500589.6930 160858.2510 238118.3700 85196.3010 182484.0620 2621350.9620 972286.1920 299608.6160 1704061.5880 648722.3110 390864.4900 616615.2480 377958.1690 1159073.1430 580750.8030 568359.1080 1321212.7670 851930.4620 496480.2180 17650.4380 302885.4080 1678644.8230 502685.6100 789068.8710 870991.9480 1002925.9530 914994.5370 987379.8410 742174.8500 Itaconic acid 6075.0449 14010.9601 11493.8102 17527.6703 94198.4402 77034.0449 9300.8423 119954.4147 122030.4985 76620.1426 71840.4766 123034.2254 89632.7649 112592.2595 73378.7321 87541.2459 91992.3487 112883.4234 97434.4242 104881.6392 102656.9903 99653.4321 94547.6034 79289.9177 31493.9425 17353.5194 24272.5367 48506.0019 4142.1246 429.1016 42568.6929 20046.1723 20477.7790 19589.7133 14365.1427 30285.2981 33708.0462 21791.5910 7232.9180 1990.6247 1579.1763 10687.5948 2068.4417 4906.3054 6166.5577 11242.2461 54720.7017 46593.5027 37218.3913 63697.0549 57455.7191 74166.8851 69940.0893 1309.5635 63129.8844 60014.4241 70380.0364 58942.4424 55471.7596 2990.8707 17369.5857 17238.3659 1611.6533 15501.5994 18385.4026 1565.4519 2112.4901 16794.6834 14108.2411 21739.0760 19782.1049 1543.5390 21407.6974 26291.0553 17124.2070 11996.0410 43059.4419 34555.0537 29799.8215 45059.9211 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22801.1133 20005.3943 16466.1985 51875.7316 51272.0056 11005.8762 113086.7476 13319.4728 41725.5865 2881.6076 12536.6522 20775.4982 20485.6588 15743.0834 26074.1960 23550.3437 49527.1612 22564.4113 18171.4418 25208.9333 187205.7478 16354.0196 14141.2824 32516.5690 43658.7871 268988.5616 8844.4189 11551.7909 119351.5490 11642.8851 11188.6797 294316.1694 25885.2612 60191.5798 15553.2882 Oxalic acid 259621.9000 238313.1800 306032.5600 210880.1500 285643.8800 295391.7300 209981.9700 328830.6500 241090.6600 249048.4700 359647.1600 358086.1600 262092.5200 190302.5000 170609.7300 291627.5200 256636.4900 249574.3700 185227.9400 362967.2500 176207.3800 264086.9900 192363.5800 225253.9600 116662.1200 134738.7000 75172.5900 213085.5400 298686.8800 268302.0500 329125.6400 227027.1800 244114.9100 389091.1200 327941.6600 272031.4000 269094.0500 281815.6200 250248.6500 249579.2300 248038.8400 325474.9100 266449.5500 304368.1700 68116.7500 107332.1000 140199.7200 134619.3200 108815.8800 188726.2600 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179395.6500 159027.0500 212052.6100 429510.9100 418364.5000 352994.5300 734635.2200 381364.6600 398263.1300 296035.9200 297797.5500 278601.4200 426947.4800 377198.7200 271305.3900 397457.1200 316804.6500 426032.6500 356473.2300 231603.6600 300619.4100 320083.4500 300019.0700 257287.4900 427201.2000 346703.8400 372073.8200 366106.2800 403715.2400 154253.3500 163816.5100 182533.4000 142976.5500 220113.5800 182026.5900 201790.5100 175473.7400 181057.7900 141769.7800 235691.2000 108343.6800 201465.8700 260681.5800 211359.8400 217317.7600 191869.8400 141110.4700 210581.4100 287439.5600 257368.2300 173799.9200 195634.5600 225743.4200 262119.0500 260997.1200 166638.7600 235754.6900 183912.1600 174960.5700 203460.7100 185129.3400 195774.0500 130837.9200 214282.7100 355651.6600 238068.5000 337265.2100 179355.7700 258347.2900 166901.9600 167732.1700 206820.4900 343910.3000 103771.8500 277763.1700 206976.9600 197434.8500 312340.3500 230090.5200 176924.1600 235810.1000 281799.9400 342567.7500 250821.4100 172983.5400 306463.6500 194517.7300 266832.9100 252079.8700 248022.0100 235217.7300 262812.3700 193495.9500 141685.9100 187237.2800 171883.4700 Oxaloacetic acid 18451.5277 3389.0420 9071.7807 14132.5277 37954.1171 25226.6935 39086.4299 26031.6146 11095.9026 36339.9756 8144.2396 13740.7024 17658.9220 22793.3220 22175.1789 17853.9364 21248.8884 11692.8046 14377.1917 13276.9433 14972.7420 10659.6291 5096.6790 4310.3196 6371.1780 3255.7359 42806.0052 23633.2461 23225.0400 17398.2046 18562.3466 36036.5071 26008.9968 30831.7127 19347.3383 28990.9281 19321.3946 18634.4499 14528.5733 24342.5279 31968.7388 4598.8839 17081.3573 5786.7304 7455.8984 6834.8922 8215.3525 7445.4816 13211.2112 20240.3320 9898.1533 13974.7463 20715.6041 12655.9355 6809.4617 10037.3246 1120.2387 8324.4879 1606.9806 9533.6785 13523.5937 6344.8424 6883.7743 14848.7275 16433.4839 18441.8917 5172.7853 5998.4003 9271.2095 13419.6338 8745.2345 19106.6536 5595.9427 6431.1417 3710.0878 5665.9483 4847.9757 6038.8830 4162.5850 19289.4845 15162.8115 6582.0932 6583.6743 6106.9903 22056.3459 10873.1348 12003.9168 15107.0256 14311.5857 1675.2051 14837.5970 4182.4904 5024.7822 7399.8490 5040.6210 9313.6563 13461.6878 3835.4109 3135.9728 4370.1636 8693.9627 15086.4363 8756.7979 4420.8574 11181.9282 10700.7321 4580.0819 4985.8210 4685.4181 4922.9075 6041.7845 4936.7323 6067.6349 5481.0369 11462.3585 8267.3510 11687.3972 11497.9697 8446.0341 6042.2260 7093.9898 6671.5422 12488.1132 16591.7751 7455.8609 5729.7081 15020.4668 3186.1892 3728.2000 12065.0883 16010.7496 10957.0705 12422.4679 6086.2932 6142.4200 19276.9933 21685.5785 23834.5158 21198.2244 22236.6762 30374.2284 33065.1768 26172.7395 14005.1322 40330.8593 21448.6728 39002.3195 12971.8935 17590.1636 7994.2851 11843.7667 24455.5387 12243.1602 8882.4846 15781.4545 4355.5269 29151.2523 5697.6981 13433.2444 13159.0043 48404.5643 23358.2364 4164.5280 9588.5481 5788.1729 7113.3341 6671.2836 9865.6158 11416.6443 2650.2610 252.7098 2223.4976 1604.2151 3931.2356 2276.4558 5463.1883 3445.8372 5829.3157 4221.7369 3429.1457 6738.9165 4363.6621 6223.8859 4873.1236 4393.9105 761.0814 4254.8410 2965.5643 296.6066 5094.2385 1418.2431 5304.3205 1714.6570 3316.2759 484.6510 4380.6517 2221.2785 4036.0369 1113.0628 3782.2086 5588.5524 1806.6717 5693.5045 508.6476 4410.1011 7888.7398 2515.6566 6686.5887 10231.5716 4576.7390 5691.6848 1045.5630 2664.3296 3118.6799 2527.5852 4643.5337 5341.9769 6708.0223 3937.1635 1600.6031 3708.5205 4756.0420 2093.2803 6617.2046 7895.2380 8466.5770 2024.7794 4257.4720 6055.0859 Phenyllactic acid 31792.3390 143176.6320 120479.2440 20042.6960 185613.4260 141125.1940 56924.6330 75586.2160 158701.4830 113970.7130 102520.7380 81260.1580 122973.5110 125116.8910 62370.1510 92192.3260 112958.5600 92480.5630 120557.7610 168569.4380 122733.3820 84407.7280 105858.4540 62240.4580 132542.2770 98681.8830 74874.3880 179898.3020 88711.5970 47016.0650 64226.9290 89547.1520 95468.7050 70761.3440 68747.2630 82818.7280 123986.2690 170140.9810 42106.0710 87963.7930 117325.1980 94096.4720 82102.9200 92158.2970 38538.8310 40564.3690 78919.7650 60281.2610 54849.1580 68909.6890 59179.4770 62613.8850 52837.3470 37402.1010 96483.5980 72576.0660 85747.0140 59543.9590 64674.9390 58334.1550 71038.5080 26622.8190 70165.5740 63535.9390 25727.8050 5809.6650 99951.3910 84563.5520 81015.6030 17529.6900 84554.6560 58759.5450 107111.1320 50380.1780 60973.5120 56498.4600 39878.0050 46000.0200 41193.2230 57149.3070 67141.8690 13534.2460 18928.2620 64492.8500 69234.3840 90441.3490 25049.5530 66332.8870 63105.5660 86863.0050 28331.8120 59280.6600 24535.4110 18213.0030 38026.3670 16206.8020 84076.1370 100634.3410 57785.6240 100617.5500 58701.9260 81559.5800 40862.8590 88993.5460 54581.9780 50865.7520 53872.0680 57061.3710 37867.7330 30784.0430 29064.9240 40946.0780 47223.2720 14758.4070 57013.4310 37321.3620 55279.4210 32815.0490 30771.9930 32371.5770 52454.6750 48661.2660 37853.7060 55030.9220 137349.9400 46950.1230 57407.1770 63802.8960 122059.9300 39687.2450 51663.9770 36394.5580 82114.8850 83212.9940 59566.8730 97556.8720 78342.1260 52766.4820 46339.5920 72238.4870 29085.2820 177877.9210 33239.2010 102335.7440 45625.8910 160153.2460 127200.7440 98877.5640 85251.5410 97298.4470 117898.4100 106180.2720 127371.4360 213440.2530 113076.4090 46167.4540 58317.1130 98077.0940 30177.2320 29939.2480 37147.5360 91280.7680 40453.6300 81181.3590 68363.8260 150386.2290 47228.1740 59707.2810 30048.1060 66740.3200 59538.4660 37597.4680 63969.3280 80290.3450 36461.8020 63398.1230 88455.2530 130656.2530 52533.4250 56315.4920 37830.8130 99476.3660 53136.3320 84428.3960 90788.6120 99324.1180 88820.7910 94568.7810 69291.5400 57564.1330 35824.0340 65536.2110 110238.3830 47342.5020 77618.9500 117119.6980 81969.1240 126316.1520 125949.9490 69805.7960 116842.3620 87504.3340 51968.6820 74850.7680 127792.8440 93332.5280 105439.3980 48891.6440 48266.3410 106477.6260 106532.6460 89558.8590 47992.7570 61670.8380 65274.6850 76654.6930 83464.2330 46029.2100 67768.5230 66057.8200 80518.7900 74192.7340 23529.3170 108851.1240 49068.9240 51021.6930 55759.6970 59153.4350 95708.5880 34234.2540 p-Hydroxyphenylpropionic acid 836506.9500 708929.8900 602830.2400 517656.4200 554365.1100 467001.5800 581909.1500 515683.4900 355926.9900 525357.9900 548349.2600 493756.4000 514518.7600 582812.1900 620486.5000 488083.0200 473586.2700 552011.0800 447735.1700 575225.5600 270604.0400 656800.3400 567826.5500 461629.7300 428798.0500 801566.6300 790220.4300 597249.6200 436244.2900 552129.3100 450544.8300 468517.9500 362497.2200 449825.3700 463687.2700 525221.8000 308036.3500 396395.2100 700655.6800 544220.6500 418860.0900 705321.2300 636193.6600 439433.3700 30004.4600 51008.9800 120411.8700 91316.6700 128684.4500 153197.6800 186717.8500 245989.6300 132957.1400 374681.1300 333818.7700 204370.0600 284336.2200 216703.6500 371214.3300 198834.0400 156729.6800 262749.8100 292350.0600 59344.0100 229711.2000 270878.7000 287185.3700 255755.5200 184117.9300 198013.9000 351658.1100 261587.7300 346912.0700 34591.6900 46071.5100 56477.0700 66544.6400 62661.9200 47353.5200 78392.7900 142844.7500 75474.0100 157135.0400 162753.7200 197616.6700 169785.1900 210028.8300 266173.4900 102979.1200 461823.4800 246321.2200 324338.7400 371675.2500 539487.0600 373067.7600 331275.2500 256443.6000 157458.9100 911672.1200 494166.6500 508187.2000 121819.8100 49684.9700 110318.1700 69622.2300 70612.6400 326453.4400 368442.3300 97135.7700 34777.0800 46537.7200 50572.4700 176615.8100 27268.1100 108912.1400 178093.8600 92678.8400 71659.3200 173741.3200 39951.3400 137800.5100 44601.2100 49714.0200 125988.7700 262727.6200 132089.5700 246066.6500 235642.5700 326522.1200 101593.8400 231731.7900 137856.4200 211411.8400 207251.8900 481620.7600 440950.9100 373946.8300 354803.7200 386707.4100 525407.7000 484484.5000 596151.4300 553955.9700 456666.8800 464114.2800 215819.5900 444829.4000 381107.9200 324762.8600 431722.3400 470009.1100 479734.0700 418678.8800 525851.9600 614693.9500 102000.6300 623928.2900 340371.9600 727479.5200 547776.3700 452240.5500 46473.8900 519996.4600 126096.1200 184982.9600 234091.9000 189281.2700 242619.0900 105737.0000 205008.3600 220713.9500 273117.3700 242753.8900 206382.4600 89325.8800 293099.4900 207112.4700 277441.8700 235711.6300 398824.0200 265632.8600 193137.6300 199776.0300 192473.8500 194016.3400 175085.8400 276781.5100 286968.0900 250605.2100 257321.7900 247871.9500 165158.1200 96092.5400 118031.4400 153314.2900 133988.3800 156529.5900 193978.4900 240176.8800 190476.2900 172749.9100 207044.7000 195320.6700 151528.6200 223958.6100 151411.6100 172660.8000 93813.3400 86516.6700 206668.6600 180390.5200 353291.1100 94558.8700 211715.9600 161660.4300 361377.3600 292712.4400 179014.1500 202530.1100 305277.7800 266655.3500 76172.6600 231776.1000 226738.7900 165212.8100 270955.3600 130761.8100 265813.3400 109719.7900 228446.6500 Pyruvate 20075.0780 32545.1670 34898.3270 46168.6440 14488.0460 25629.6140 10752.6190 37750.5330 21673.7930 30574.9090 37354.6900 20499.3330 10703.1280 10391.6240 10048.9300 18558.0940 12252.5580 11644.7850 19095.6030 39528.6820 11790.3850 19808.2650 78471.2030 14834.2870 34146.2310 34839.8100 24435.4510 49576.0110 43659.5320 22774.2220 59091.8910 42384.7930 16275.4890 40100.6190 60359.5140 55136.7000 33657.3700 36413.1900 26395.8020 48213.8760 32051.0260 62022.7930 38481.7580 25197.3210 20000.9350 32145.4180 31260.0140 26891.4340 15887.2070 31281.7760 28383.6580 54512.6200 54484.0650 105598.2800 95891.7600 68230.0030 63584.9150 74247.7390 56809.8720 38523.9900 72050.0610 65486.2870 68015.0920 46743.0470 61688.9480 34774.4480 47869.1510 60172.8530 41721.0600 46807.8170 99812.2470 50272.9980 43659.7410 39658.4300 55824.0740 30283.6420 49003.4940 51356.4840 45055.1610 68296.8970 41126.3210 51996.2570 63820.9700 55209.7850 59442.6180 49431.1480 51855.8120 47429.2760 37052.8850 40594.5290 62137.4560 48320.5140 43729.2660 22464.4260 29695.1750 53347.4200 42089.0640 61412.3440 55206.1390 61229.4280 111714.9070 37667.1350 14457.4990 28795.9600 34602.6580 28393.5060 35702.9130 53689.7570 17803.9430 23859.3040 14441.3930 26659.4630 45136.9760 28309.1820 21899.2180 35438.2010 41635.4370 39139.4480 44173.3510 50435.8190 38745.9690 37528.9130 58086.4190 18687.3700 101525.8710 23584.5950 43744.8660 69797.7010 25020.7410 47976.2850 30606.1000 38854.2350 46717.9720 36290.6460 49951.6920 31110.4190 31851.4730 84235.0680 25532.7570 12902.3290 113536.2900 41312.5440 26971.5960 68029.0120 53545.4540 23804.1710 45124.1450 77628.9720 58743.0490 14588.6220 30919.1080 49641.8920 48883.5980 40222.4290 36789.2380 23771.9560 32191.5840 22180.7450 65880.6860 27138.5080 26880.9250 24295.6920 77805.1340 25334.7390 16344.2380 40444.2330 12734.1560 10805.9490 23557.1230 32457.1190 43594.3120 49688.9850 11704.2830 13824.5430 5308.0640 41462.9810 28362.7200 21061.3440 30612.2600 34424.3490 20426.1520 16188.6050 44654.8380 26813.4470 16371.2520 27525.1400 44521.1540 12258.0130 25716.9780 11392.0340 11557.3830 27012.7320 26636.4420 35013.5930 13857.8100 38454.3960 22901.0190 34059.4530 70761.0180 8680.1320 48606.4120 44462.7180 33846.2040 12599.2140 38596.6590 18756.7420 37663.3800 17407.3850 31848.4980 24010.8880 8499.9160 53144.6250 18585.1960 53276.7820 26733.6610 43321.2060 52376.2880 49945.2030 8971.3460 76294.5510 18428.2990 28615.0850 18614.8650 25677.1740 34355.7920 33165.0080 10434.6960 15691.2340 21558.9290 26541.3760 Sebacic acid 14437.3290 19126.7550 22439.3630 17486.8130 28105.8280 18892.4080 21355.5020 28307.2220 20799.6420 21198.0680 26448.3500 20421.5970 24280.4680 30108.6930 16302.8030 19774.5890 26968.1190 29373.5220 29293.9330 26130.3500 25530.6440 23120.9530 30278.8380 20962.5420 59264.2720 34342.8350 83119.9310 57047.4770 18704.8500 26659.9330 26980.3500 21448.4600 32149.5070 29400.8890 21692.3660 20654.0000 19734.7410 22826.0610 20717.5600 27485.1330 22316.4930 25707.4210 63303.5380 17710.1420 12644.3180 10958.3560 12487.4340 7990.9090 41531.0780 42013.3010 12442.2680 8646.1300 16153.2980 31293.4060 17779.3800 12827.8270 17267.8820 20241.0770 19031.1850 9952.4100 12742.3100 12413.3190 12107.4670 7608.9480 10479.7440 19398.6450 13407.4350 12543.5130 12745.0880 11430.1210 19789.2190 18168.7000 13859.8130 4511.8380 6255.2550 3728.9310 5363.7780 6485.5400 5022.1550 4880.9320 8945.0980 10238.9410 9460.3610 8674.7270 9846.4680 10153.7990 11185.1670 10821.9640 8309.0890 19212.5880 7843.2830 12757.4650 28548.6750 22692.2610 24903.8160 20693.2220 31399.1050 20644.0240 26995.5820 39264.6780 34208.5660 18931.8850 5287.7700 12189.3610 9350.1600 8773.3810 20613.2390 34597.4810 5692.1590 6207.3120 5746.2200 6739.6480 11457.2410 4730.7790 8567.3420 18651.6450 11597.7840 9255.4160 13314.6220 8645.8870 13404.9000 11189.1320 8352.1280 10386.5520 17431.6860 8466.3600 16177.0480 15970.0220 29225.1280 12314.8070 15934.8920 20063.2450 18171.1200 14890.2930 27552.1800 27917.8340 18755.7620 24213.3190 30829.9040 27678.9030 37294.4070 34638.3600 28547.2010 25074.7780 25173.1820 35594.3840 30683.4860 28334.3990 20322.1100 25801.8390 24071.7920 28623.7490 41320.9790 17129.1540 54247.8490 33053.1990 35396.1120 17925.7470 42683.3900 37637.8590 23192.4310 16796.7790 13579.8800 9042.9730 11194.6050 12438.7810 13013.3330 15397.2480 13058.9080 12477.8100 9349.7690 13301.4990 10832.1250 9923.5210 12166.2790 15532.7760 14704.1230 13542.5870 16955.0710 19508.5550 12033.2130 16152.8900 17569.4500 18592.0050 12823.9430 9810.1610 16210.3750 17581.6950 15834.8020 21652.3080 10840.6580 14503.2680 12721.6370 17484.1960 12589.1830 13825.9070 7964.6070 15152.7370 15649.4500 20976.1000 16638.3500 16594.3140 15988.6570 10110.0510 13685.6000 12157.8900 16464.1280 6883.5030 17139.6870 18490.6020 15491.9570 18781.4370 20779.8800 22236.2670 19163.3430 19280.4910 18426.9340 15771.3880 10907.0870 9023.6620 14920.2290 15095.5320 16810.1150 23145.8760 15479.4980 22275.0360 30279.4250 10528.3880 12828.3260 9323.8070 Succinic acid 23262.4068 26944.6808 18500.3153 11715.4532 18579.3269 21414.9248 23583.8570 17031.1242 20351.2668 14550.8840 12548.3160 9443.5709 15531.6633 13769.6792 11641.8573 11574.2075 12462.3850 9637.6931 17812.4238 22968.4577 13919.2091 9848.2103 10758.1238 18965.9033 12253.2539 17559.6843 17840.7291 19570.7586 10427.3747 17310.3904 15421.7472 14936.8814 14046.3832 13000.7340 4169.6769 9668.9323 12060.0440 21416.0384 7746.2373 18342.1302 20458.6706 28221.9174 18200.6813 13679.6061 2144.7560 4685.6259 7835.8660 5719.0128 6272.7036 10439.6717 8797.4726 5555.3488 9893.8884 22690.1612 7647.9219 17676.1218 15932.0393 3883.2828 7750.4335 7565.6999 11033.6236 12381.7594 4597.8432 9889.0227 10182.7463 4983.7587 9256.0697 14083.1976 13056.6679 15315.9832 26386.7272 11440.5437 20216.7918 1457.7134 3273.6688 2643.9918 3604.5178 4803.5568 4195.1169 2977.2037 13768.3636 11366.2879 10053.8859 10618.5431 9068.9081 16941.3146 6711.3349 17798.5694 10346.2284 13852.8669 12344.7554 11215.8688 21030.9304 8178.9653 13206.7797 17228.0643 9273.0971 10621.2841 9830.2047 15105.2894 17972.7542 8703.2840 6501.2020 10899.6030 6116.6864 6684.7486 14407.6532 12938.7167 879.5537 254.3587 3595.7499 290.3969 3703.6064 2553.5776 4213.0205 11733.4588 4896.4096 5086.9804 5965.1925 9656.6673 7202.5838 5824.7078 11247.2342 7844.5938 9562.4337 8551.5912 9353.8222 14449.0274 6024.5228 6199.4317 10808.9914 6496.0994 601.4027 7163.5883 25084.1467 13580.4525 8230.3420 24602.9426 26663.6124 22088.9816 33540.3800 22895.4813 14442.9930 17453.4998 13679.7660 11332.6869 33269.6071 23362.7720 16446.4746 13346.9905 19935.4749 18652.6348 11248.6772 25097.5879 8523.0849 25814.1127 5721.2076 29948.9948 13345.0172 6519.8848 32273.9452 14617.3587 7161.9338 10097.7130 3765.5841 15609.1435 15333.5107 14314.7925 8075.4573 16175.4783 6703.6886 6854.9067 8306.8240 11555.4490 22572.9936 13763.5988 10456.5197 10902.1051 12957.0279 14233.4943 14074.2391 23082.4454 23600.7026 6234.5291 3186.9271 13410.3137 15131.3338 21197.7533 13798.4244 10273.1408 15519.0163 9593.5894 9913.9440 7653.7934 7435.4861 8838.8214 8507.6581 12598.8365 14487.7528 6882.1573 8607.8103 3862.9058 5024.9069 9408.6450 4853.9833 19718.8342 10220.8303 7049.5638 11953.3199 9818.8847 16410.7838 6093.3680 17358.0842 15347.5651 13122.7986 16621.6938 12200.7351 8080.0279 11913.6301 16236.4476 12870.4643 19857.0284 24583.0561 13760.1208 13608.7881 6754.1321 12822.1706 9751.5648 4899.7878 Taurochenodeoxycholic acid 15073.1898 2141.9668 43640.9401 6740.9520 4310.1129 3151.5002 15270.8921 11623.0556 120923.8005 18149.7172 23943.0581 25636.0688 17528.6114 27174.6948 6220.5193 10127.8194 5769.9924 63091.1968 1342.5037 24743.0184 2727.6015 13234.3447 9322.5767 1893.5170 18571.0243 18785.7549 31182.0227 9020.7093 3364.9369 1373.8952 69675.0984 4348.7867 42758.3367 45766.1987 5644.9895 4986.2332 4275.0829 20381.9054 13264.5863 9537.5141 14758.4436 1793.3181 26704.9753 1753.4596 628.8100 1935.5690 6546.0173 60564.6191 7815.9742 2996.6372 2931.6729 3275.6308 12525.9569 1465.6950 5387.2063 3014.5796 820.3115 2080.4621 1385.2437 3691.0194 13187.7540 10575.7275 1701.2321 4137.1468 7829.8332 37374.1422 3692.6148 2062.0559 19340.6552 2184.3340 5504.9679 5363.4037 17012.4422 5820.0711 1941.8413 2003.9289 7492.8797 5229.1075 1729.4078 1985.2546 1847.8098 2151.7390 10022.7074 3596.7387 723.7435 46895.3307 35038.7832 5837.1633 69706.9965 5782.8017 4996.2442 2652.3414 24368.1407 19030.3411 13054.6480 3398.3308 3069.9506 2300.9967 5294.1008 20977.3237 46327.3544 8923.7899 2388.5563 4194.9040 25782.8243 7116.7872 16063.8913 10025.1545 4909.1024 694.5023 2553.8038 6397.1965 17188.7217 713.8371 2445.0343 1470.9125 5476.0514 13608.5879 336.4126 17793.2268 36477.1655 1718.2315 7540.1744 23290.9798 10388.5143 9681.8703 10899.4640 12583.3892 14313.2074 773.3521 6414.9258 3090.7734 14150.7603 8354.0375 43162.9325 5569.4298 21301.6082 16112.4929 274966.4001 7198.1588 15062.1340 3383.0567 21178.5834 34783.6821 12842.4897 4754.7267 15887.6638 18093.2778 19995.7021 2679.4703 171001.7045 7514.8934 78695.6735 8066.3673 3632.1087 14659.2421 13817.0858 2741.7116 28783.9869 13118.2124 67843.6619 1957.3234 1910.3528 3472.5584 9500.1039 10769.8682 3838.9614 4865.5355 1572.6228 2649.7208 3550.4074 5356.2889 5872.3866 14186.8859 16825.7228 6300.7594 8500.3116 17352.9795 3936.9854 6571.7003 11377.2126 4175.3953 7345.6934 2482.7935 7062.8334 6119.8705 6330.5701 16442.3467 17931.3049 35107.2548 5802.0269 23037.0632 17963.0823 9407.6666 18337.0245 4484.2326 1807.1012 4074.0314 2635.6850 10711.9461 20568.9968 3304.8183 41783.2057 5402.2962 20614.2684 2434.1792 1898.9670 4300.8724 11091.5684 3866.9093 10139.0789 3975.5468 5432.7148 4787.0310 12635.4053 12312.9310 5059.6080 7569.3015 7875.4138 6615.6274 9013.5484 56608.2881 1822.5305 3226.3335 6196.4066 17059.4152 99090.3980 9686.3395 3541.2200 24912.5535 Taurodeoxycholic acid 15073.1898 2141.9668 43640.9401 6740.9520 4310.1129 3151.5002 15270.8921 11623.0556 120923.8005 18149.7172 23943.0581 25636.0688 17528.6114 27174.6948 6220.5193 10127.8194 5769.9924 63091.1968 1342.5037 24743.0184 2727.6015 13234.3447 9322.5767 1893.5170 18571.0243 18785.7549 31182.0227 9020.7093 3364.9369 1373.8952 69675.0984 4348.7867 42758.3367 45766.1987 5644.9895 4986.2332 4275.0829 20381.9054 13264.5863 9537.5141 14758.4436 1793.3181 26704.9753 1753.4596 628.8100 1935.5690 6546.0173 60564.6191 7815.9742 2996.6372 2931.6729 3275.6308 12525.9569 1465.6950 5387.2063 3014.5796 820.3115 2080.4621 1385.2437 3691.0194 13187.7540 10575.7275 1701.2321 4137.1468 7829.8332 37374.1422 3692.6148 2062.0559 19340.6552 2184.3340 5504.9679 5363.4037 17012.4422 5820.0711 1941.8413 2003.9289 7492.8797 5229.1075 1729.4078 1985.2546 1847.8098 2151.7390 10022.7074 3596.7387 723.7435 46895.3307 35038.7832 5837.1633 69706.9965 5782.8017 4996.2442 2652.3414 24368.1407 19030.3411 13054.6480 3398.3308 3069.9506 2300.9967 5294.1008 20977.3237 46327.3544 8923.7899 2388.5563 4194.9040 25782.8243 7116.7872 16063.8913 10025.1545 4909.1024 694.5023 2553.8038 6397.1965 17188.7217 713.8371 2445.0343 1470.9125 5476.0514 13608.5879 336.4126 17793.2268 36477.1655 1718.2315 7540.1744 23290.9798 10388.5143 9681.8703 10899.4640 12583.3892 14313.2074 773.3521 6414.9258 3090.7734 14150.7603 8354.0375 43162.9325 5569.4298 21301.6082 16112.4929 274966.4001 7198.1588 15062.1340 3383.0567 21178.5834 34783.6821 12842.4897 4754.7267 15887.6638 18093.2778 19995.7021 2679.4703 171001.7045 7514.8934 78695.6735 8066.3673 3632.1087 14659.2421 13817.0858 2741.7116 28783.9869 13118.2124 67843.6619 1957.3234 1910.3528 3472.5584 9500.1039 10769.8682 3838.9614 4865.5355 1572.6228 2649.7208 3550.4074 5356.2889 5872.3866 14186.8859 16825.7228 6300.7594 8500.3116 17352.9795 3936.9854 6571.7003 11377.2126 4175.3953 7345.6934 2482.7935 7062.8334 6119.8705 6330.5701 16442.3467 17931.3049 35107.2548 5802.0269 23037.0632 17963.0823 9407.6666 18337.0245 4484.2326 1807.1012 4074.0314 2635.6850 10711.9461 20568.9968 3304.8183 41783.2057 5402.2962 20614.2684 2434.1792 1898.9670 4300.8724 11091.5684 3866.9093 10139.0789 3975.5468 5432.7148 4787.0310 12635.4053 12312.9310 5059.6080 7569.3015 7875.4138 6615.6274 9013.5484 56608.2881 1822.5305 3226.3335 6196.4066 17059.4152 99090.3980 9686.3395 3541.2200 24912.5535 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 2-hydroxy-2-phenylpropanoic acid 7.09 165.05 2-Ketoglutaric acid 1.03 145.09 3-Hydroxyphenylpropionic acid 7.1 165.05 Azelaic acid 9.44 187.1 Cholic acid 12.54 407.3 Citrate 1.05 191.11 Deoxycholic acid 13.3 391.3 D-Fructose 1.04 179.05 Docosahexaenoic acid 14.76 327.23 Gluconic acid 0.85 195.05 Glucose 1.04 179.05 Glycochenodeoxycholic acid 12.56 448.3 Glycocholic acid 12.04 464.3 Indoxyl sulfate 6.38 212 Isocitric acid 1.04 191.02 Itaconic acid 6.02 129 Lithocholic acid 12.88 375.3 L-Lactate 1.04 89.02 Malic acid 1.03 133.01 Malonic acid 2.11 103 Oxalic acid 1.04 89 Oxaloacetic acid 0.67 131 Phenyllactic acid 8.21 165.05 p-Hydroxyphenylpropionic acid 6.91 165.05 Pyruvate 1.03 87.01 Sebacic acid 10.82 201.1 Succinic acid 1.04 117.02 Taurochenodeoxycholic acid 12.12 498.29 Taurodeoxycholic acid 12.12 498.29 METABOLITES_END #END