#METABOLOMICS WORKBENCH Lu_Group_20230830_205611 DATATRACK_ID:4271 STUDY_ID:ST002862 ANALYSIS_ID:AN004694 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 Faeces 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 faeces A_100 Treatment:high-altitude group RAW_FILE_NAME=649 SUBJECT_SAMPLE_FACTORS human faeces A_101 Treatment:high-altitude group RAW_FILE_NAME=650 SUBJECT_SAMPLE_FACTORS human faeces A_102 Treatment:high-altitude group RAW_FILE_NAME=652 SUBJECT_SAMPLE_FACTORS human faeces A_103 Treatment:high-altitude group RAW_FILE_NAME=653 SUBJECT_SAMPLE_FACTORS human faeces A_104 Treatment:high-altitude group RAW_FILE_NAME=708 SUBJECT_SAMPLE_FACTORS human faeces A_105 Treatment:high-altitude group RAW_FILE_NAME=711 SUBJECT_SAMPLE_FACTORS human faeces A_106 Treatment:high-altitude group RAW_FILE_NAME=714 SUBJECT_SAMPLE_FACTORS human 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A_118 Treatment:high-altitude group RAW_FILE_NAME=736 SUBJECT_SAMPLE_FACTORS human faeces A_119 Treatment:high-altitude group RAW_FILE_NAME=743 SUBJECT_SAMPLE_FACTORS human faeces A_120 Treatment:high-altitude group RAW_FILE_NAME=744 SUBJECT_SAMPLE_FACTORS human faeces A_121 Treatment:high-altitude group RAW_FILE_NAME=751 SUBJECT_SAMPLE_FACTORS human faeces A_122 Treatment:high-altitude group RAW_FILE_NAME=762 SUBJECT_SAMPLE_FACTORS human faeces A_123 Treatment:high-altitude group RAW_FILE_NAME=770 SUBJECT_SAMPLE_FACTORS human faeces A_124 Treatment:high-altitude group RAW_FILE_NAME=833 SUBJECT_SAMPLE_FACTORS human faeces A_125 Treatment:high-altitude group RAW_FILE_NAME=838 SUBJECT_SAMPLE_FACTORS human faeces A_126 Treatment:high-altitude group RAW_FILE_NAME=839 SUBJECT_SAMPLE_FACTORS human faeces A_127 Treatment:high-altitude group RAW_FILE_NAME=846 SUBJECT_SAMPLE_FACTORS human faeces A_128 Treatment:high-altitude group RAW_FILE_NAME=849 SUBJECT_SAMPLE_FACTORS human faeces A_129 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Treatment:high-altitude group RAW_FILE_NAME=904 SUBJECT_SAMPLE_FACTORS human faeces A_152 Treatment:high-altitude group RAW_FILE_NAME=907 SUBJECT_SAMPLE_FACTORS human faeces A_153 Treatment:high-altitude group RAW_FILE_NAME=908 SUBJECT_SAMPLE_FACTORS human faeces A_154 Treatment:high-altitude group RAW_FILE_NAME=910 SUBJECT_SAMPLE_FACTORS human faeces A_155 Treatment:high-altitude group RAW_FILE_NAME=911 SUBJECT_SAMPLE_FACTORS human faeces A_156 Treatment:high-altitude group RAW_FILE_NAME=912 SUBJECT_SAMPLE_FACTORS human faeces A_157 Treatment:high-altitude group RAW_FILE_NAME=913 SUBJECT_SAMPLE_FACTORS human faeces A_158 Treatment:high-altitude group RAW_FILE_NAME=914 SUBJECT_SAMPLE_FACTORS human faeces A_159 Treatment:high-altitude group RAW_FILE_NAME=916 SUBJECT_SAMPLE_FACTORS human faeces A_160 Treatment:high-altitude group RAW_FILE_NAME=923 SUBJECT_SAMPLE_FACTORS human faeces A_161 Treatment:high-altitude group RAW_FILE_NAME=924 SUBJECT_SAMPLE_FACTORS human faeces A_162 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Treatment:high-altitude group RAW_FILE_NAME=948 SUBJECT_SAMPLE_FACTORS human faeces A_174 Treatment:high-altitude group RAW_FILE_NAME=949 SUBJECT_SAMPLE_FACTORS human faeces A_175 Treatment:high-altitude group RAW_FILE_NAME=950 SUBJECT_SAMPLE_FACTORS human faeces A_176 Treatment:high-altitude group RAW_FILE_NAME=957 SUBJECT_SAMPLE_FACTORS human faeces A_177 Treatment:high-altitude group RAW_FILE_NAME=958 SUBJECT_SAMPLE_FACTORS human faeces A_178 Treatment:high-altitude group RAW_FILE_NAME=959 SUBJECT_SAMPLE_FACTORS human faeces A_179 Treatment:high-altitude group RAW_FILE_NAME=960 SUBJECT_SAMPLE_FACTORS human faeces A_180 Treatment:high-altitude group RAW_FILE_NAME=964 SUBJECT_SAMPLE_FACTORS human faeces A_181 Treatment:high-altitude group RAW_FILE_NAME=966 SUBJECT_SAMPLE_FACTORS human faeces A_182 Treatment:high-altitude group RAW_FILE_NAME=967 SUBJECT_SAMPLE_FACTORS human faeces A_183 Treatment:high-altitude group RAW_FILE_NAME=968 SUBJECT_SAMPLE_FACTORS human faeces A_184 Treatment:high-altitude group RAW_FILE_NAME=970 SUBJECT_SAMPLE_FACTORS human faeces A_185 Treatment:high-altitude group RAW_FILE_NAME=973 SUBJECT_SAMPLE_FACTORS human faeces A_186 Treatment:high-altitude group RAW_FILE_NAME=974 SUBJECT_SAMPLE_FACTORS human faeces A_187 Treatment:high-altitude group RAW_FILE_NAME=976 SUBJECT_SAMPLE_FACTORS human faeces A_188 Treatment:high-altitude group RAW_FILE_NAME=977 SUBJECT_SAMPLE_FACTORS human faeces A_189 Treatment:high-altitude group RAW_FILE_NAME=979 SUBJECT_SAMPLE_FACTORS human faeces A_190 Treatment:high-altitude group RAW_FILE_NAME=980 SUBJECT_SAMPLE_FACTORS human faeces A_191 Treatment:high-altitude group RAW_FILE_NAME=981 SUBJECT_SAMPLE_FACTORS human faeces A_192 Treatment:high-altitude group RAW_FILE_NAME=983 SUBJECT_SAMPLE_FACTORS human faeces A_193 Treatment:high-altitude group RAW_FILE_NAME=984 SUBJECT_SAMPLE_FACTORS human faeces A_194 Treatment:high-altitude group RAW_FILE_NAME=985 SUBJECT_SAMPLE_FACTORS human faeces A_195 Treatment:high-altitude group RAW_FILE_NAME=991 SUBJECT_SAMPLE_FACTORS human faeces A_196 Treatment:high-altitude group RAW_FILE_NAME=996 SUBJECT_SAMPLE_FACTORS human faeces A_197 Treatment:high-altitude group RAW_FILE_NAME=999 SUBJECT_SAMPLE_FACTORS human faeces A_198 Treatment:high-altitude group RAW_FILE_NAME=1007 SUBJECT_SAMPLE_FACTORS human faeces A_199 Treatment:high-altitude group RAW_FILE_NAME=1009 SUBJECT_SAMPLE_FACTORS human faeces A_200 Treatment:high-altitude group RAW_FILE_NAME=1010 SUBJECT_SAMPLE_FACTORS human faeces A_201 Treatment:high-altitude group RAW_FILE_NAME=1013 SUBJECT_SAMPLE_FACTORS human faeces A_202 Treatment:high-altitude group RAW_FILE_NAME=1014 SUBJECT_SAMPLE_FACTORS human faeces A_203 Treatment:high-altitude group RAW_FILE_NAME=1018 SUBJECT_SAMPLE_FACTORS human faeces A_204 Treatment:high-altitude group RAW_FILE_NAME=1110 SUBJECT_SAMPLE_FACTORS human faeces A_205 Treatment:high-altitude group RAW_FILE_NAME=1116 SUBJECT_SAMPLE_FACTORS human faeces A_206 Treatment:high-altitude group RAW_FILE_NAME=1118 SUBJECT_SAMPLE_FACTORS human faeces A_207 Treatment:high-altitude group RAW_FILE_NAME=1120 SUBJECT_SAMPLE_FACTORS human faeces A_208 Treatment:high-altitude group RAW_FILE_NAME=1124 SUBJECT_SAMPLE_FACTORS human faeces A_209 Treatment:high-altitude group RAW_FILE_NAME=1127 SUBJECT_SAMPLE_FACTORS human faeces A_210 Treatment:high-altitude group RAW_FILE_NAME=1128 SUBJECT_SAMPLE_FACTORS human faeces A_211 Treatment:high-altitude group RAW_FILE_NAME=1129 SUBJECT_SAMPLE_FACTORS human faeces A_212 Treatment:high-altitude group RAW_FILE_NAME=1130 SUBJECT_SAMPLE_FACTORS human faeces A_213 Treatment:high-altitude group RAW_FILE_NAME=1133 SUBJECT_SAMPLE_FACTORS human faeces A_214 Treatment:high-altitude group RAW_FILE_NAME=1141 SUBJECT_SAMPLE_FACTORS human faeces A_215 Treatment:high-altitude group RAW_FILE_NAME=1145 SUBJECT_SAMPLE_FACTORS human faeces A_216 Treatment:high-altitude group RAW_FILE_NAME=1153 SUBJECT_SAMPLE_FACTORS human faeces A_217 Treatment:high-altitude group RAW_FILE_NAME=1154 SUBJECT_SAMPLE_FACTORS human faeces A_218 Treatment:high-altitude group RAW_FILE_NAME=1155 SUBJECT_SAMPLE_FACTORS human faeces A_219 Treatment:high-altitude group RAW_FILE_NAME=1156 SUBJECT_SAMPLE_FACTORS human faeces A_220 Treatment:high-altitude group RAW_FILE_NAME=1160 SUBJECT_SAMPLE_FACTORS human faeces A_221 Treatment:high-altitude group RAW_FILE_NAME=1162 SUBJECT_SAMPLE_FACTORS human faeces A_222 Treatment:high-altitude group RAW_FILE_NAME=1163 SUBJECT_SAMPLE_FACTORS human faeces A_223 Treatment:high-altitude group RAW_FILE_NAME=1164 SUBJECT_SAMPLE_FACTORS human faeces A_224 Treatment:high-altitude group RAW_FILE_NAME=1165 SUBJECT_SAMPLE_FACTORS human faeces A_225 Treatment:high-altitude group RAW_FILE_NAME=1166 SUBJECT_SAMPLE_FACTORS human faeces A_226 Treatment:high-altitude group RAW_FILE_NAME=1173 SUBJECT_SAMPLE_FACTORS human faeces A_227 Treatment:high-altitude group RAW_FILE_NAME=1181 SUBJECT_SAMPLE_FACTORS human faeces A_228 Treatment:high-altitude group RAW_FILE_NAME=1183 SUBJECT_SAMPLE_FACTORS human faeces A_229 Treatment:high-altitude group RAW_FILE_NAME=1184 SUBJECT_SAMPLE_FACTORS human faeces A_230 Treatment:high-altitude group RAW_FILE_NAME=1185 SUBJECT_SAMPLE_FACTORS human faeces A_68 Treatment:high-altitude group RAW_FILE_NAME=513 SUBJECT_SAMPLE_FACTORS human faeces A_69 Treatment:high-altitude group RAW_FILE_NAME=515 SUBJECT_SAMPLE_FACTORS human faeces A_70 Treatment:high-altitude group RAW_FILE_NAME=519 SUBJECT_SAMPLE_FACTORS human faeces A_71 Treatment:high-altitude group RAW_FILE_NAME=558 SUBJECT_SAMPLE_FACTORS human faeces A_72 Treatment:high-altitude group RAW_FILE_NAME=562 SUBJECT_SAMPLE_FACTORS human faeces A_73 Treatment:high-altitude group RAW_FILE_NAME=563 SUBJECT_SAMPLE_FACTORS human faeces A_74 Treatment:high-altitude group RAW_FILE_NAME=580 SUBJECT_SAMPLE_FACTORS human faeces A_75 Treatment:high-altitude group RAW_FILE_NAME=582 SUBJECT_SAMPLE_FACTORS human faeces A_76 Treatment:high-altitude group RAW_FILE_NAME=583 SUBJECT_SAMPLE_FACTORS human faeces A_77 Treatment:high-altitude group RAW_FILE_NAME=584 SUBJECT_SAMPLE_FACTORS human faeces A_78 Treatment:high-altitude group RAW_FILE_NAME=587 SUBJECT_SAMPLE_FACTORS human faeces A_79 Treatment:high-altitude group RAW_FILE_NAME=589 SUBJECT_SAMPLE_FACTORS human faeces A_80 Treatment:high-altitude group RAW_FILE_NAME=590 SUBJECT_SAMPLE_FACTORS human faeces A_81 Treatment:high-altitude group RAW_FILE_NAME=591 SUBJECT_SAMPLE_FACTORS human faeces A_82 Treatment:high-altitude group RAW_FILE_NAME=592 SUBJECT_SAMPLE_FACTORS human faeces A_83 Treatment:high-altitude group RAW_FILE_NAME=593 SUBJECT_SAMPLE_FACTORS human faeces A_84 Treatment:high-altitude group RAW_FILE_NAME=595 SUBJECT_SAMPLE_FACTORS human faeces A_85 Treatment:high-altitude group RAW_FILE_NAME=597 SUBJECT_SAMPLE_FACTORS human faeces A_86 Treatment:high-altitude group RAW_FILE_NAME=600 SUBJECT_SAMPLE_FACTORS human faeces A_87 Treatment:high-altitude group RAW_FILE_NAME=603 SUBJECT_SAMPLE_FACTORS human faeces A_88 Treatment:high-altitude group RAW_FILE_NAME=604 SUBJECT_SAMPLE_FACTORS human faeces A_89 Treatment:high-altitude group RAW_FILE_NAME=605 SUBJECT_SAMPLE_FACTORS human faeces A_90 Treatment:high-altitude group RAW_FILE_NAME=612 SUBJECT_SAMPLE_FACTORS human faeces A_91 Treatment:high-altitude group RAW_FILE_NAME=615 SUBJECT_SAMPLE_FACTORS human faeces A_92 Treatment:high-altitude group RAW_FILE_NAME=618 SUBJECT_SAMPLE_FACTORS human faeces A_93 Treatment:high-altitude group RAW_FILE_NAME=619 SUBJECT_SAMPLE_FACTORS human faeces A_94 Treatment:high-altitude group RAW_FILE_NAME=621 SUBJECT_SAMPLE_FACTORS human faeces A_95 Treatment:high-altitude group RAW_FILE_NAME=622 SUBJECT_SAMPLE_FACTORS human faeces A_96 Treatment:high-altitude group RAW_FILE_NAME=631 SUBJECT_SAMPLE_FACTORS human faeces A_97 Treatment:high-altitude group RAW_FILE_NAME=632 SUBJECT_SAMPLE_FACTORS human faeces A_98 Treatment:high-altitude group RAW_FILE_NAME=633 SUBJECT_SAMPLE_FACTORS human faeces A_99 Treatment:high-altitude group RAW_FILE_NAME=648 SUBJECT_SAMPLE_FACTORS human faeces A_1 Treatment:plain group RAW_FILE_NAME=1 SUBJECT_SAMPLE_FACTORS human faeces A_10 Treatment:plain group RAW_FILE_NAME=12 SUBJECT_SAMPLE_FACTORS human faeces A_11 Treatment:plain group RAW_FILE_NAME=14 SUBJECT_SAMPLE_FACTORS human faeces A_12 Treatment:plain group RAW_FILE_NAME=16 SUBJECT_SAMPLE_FACTORS human faeces A_13 Treatment:plain group RAW_FILE_NAME=17 SUBJECT_SAMPLE_FACTORS human faeces A_14 Treatment:plain group RAW_FILE_NAME=18 SUBJECT_SAMPLE_FACTORS human faeces A_15 Treatment:plain group RAW_FILE_NAME=19 SUBJECT_SAMPLE_FACTORS human faeces A_16 Treatment:plain group RAW_FILE_NAME=20 SUBJECT_SAMPLE_FACTORS human faeces A_17 Treatment:plain group RAW_FILE_NAME=21 SUBJECT_SAMPLE_FACTORS human faeces A_18 Treatment:plain group RAW_FILE_NAME=23 SUBJECT_SAMPLE_FACTORS human faeces A_19 Treatment:plain group RAW_FILE_NAME=24 SUBJECT_SAMPLE_FACTORS human faeces A_2 Treatment:plain group RAW_FILE_NAME=3 SUBJECT_SAMPLE_FACTORS human faeces A_20 Treatment:plain group RAW_FILE_NAME=25 SUBJECT_SAMPLE_FACTORS human faeces A_21 Treatment:plain group RAW_FILE_NAME=31 SUBJECT_SAMPLE_FACTORS human faeces A_22 Treatment:plain group RAW_FILE_NAME=32 SUBJECT_SAMPLE_FACTORS human faeces A_23 Treatment:plain group RAW_FILE_NAME=33 SUBJECT_SAMPLE_FACTORS human faeces A_24 Treatment:plain group RAW_FILE_NAME=34 SUBJECT_SAMPLE_FACTORS human faeces A_25 Treatment:plain group RAW_FILE_NAME=35 SUBJECT_SAMPLE_FACTORS human faeces A_26 Treatment:plain group RAW_FILE_NAME=38 SUBJECT_SAMPLE_FACTORS human faeces A_27 Treatment:plain group RAW_FILE_NAME=41 SUBJECT_SAMPLE_FACTORS human faeces A_28 Treatment:plain group RAW_FILE_NAME=43 SUBJECT_SAMPLE_FACTORS human faeces A_29 Treatment:plain group RAW_FILE_NAME=44 SUBJECT_SAMPLE_FACTORS human faeces A_3 Treatment:plain group RAW_FILE_NAME=4 SUBJECT_SAMPLE_FACTORS human faeces A_30 Treatment:plain group RAW_FILE_NAME=45 SUBJECT_SAMPLE_FACTORS human faeces A_31 Treatment:plain group RAW_FILE_NAME=47 SUBJECT_SAMPLE_FACTORS human faeces A_32 Treatment:plain group RAW_FILE_NAME=48 SUBJECT_SAMPLE_FACTORS human faeces A_33 Treatment:plain group RAW_FILE_NAME=49 SUBJECT_SAMPLE_FACTORS human faeces A_34 Treatment:plain group RAW_FILE_NAME=50 SUBJECT_SAMPLE_FACTORS human faeces A_35 Treatment:plain group RAW_FILE_NAME=51 SUBJECT_SAMPLE_FACTORS human faeces A_36 Treatment:plain group RAW_FILE_NAME=52 SUBJECT_SAMPLE_FACTORS human faeces A_37 Treatment:plain group RAW_FILE_NAME=56 SUBJECT_SAMPLE_FACTORS human faeces A_38 Treatment:plain group RAW_FILE_NAME=57 SUBJECT_SAMPLE_FACTORS human faeces A_39 Treatment:plain group RAW_FILE_NAME=58 SUBJECT_SAMPLE_FACTORS human faeces A_4 Treatment:plain group RAW_FILE_NAME=5 SUBJECT_SAMPLE_FACTORS human faeces A_40 Treatment:plain group RAW_FILE_NAME=59 SUBJECT_SAMPLE_FACTORS human faeces A_41 Treatment:plain group RAW_FILE_NAME=60 SUBJECT_SAMPLE_FACTORS human faeces A_42 Treatment:plain group RAW_FILE_NAME=61 SUBJECT_SAMPLE_FACTORS human faeces A_43 Treatment:plain group RAW_FILE_NAME=62 SUBJECT_SAMPLE_FACTORS human faeces A_44 Treatment:plain group RAW_FILE_NAME=63 SUBJECT_SAMPLE_FACTORS human faeces A_45 Treatment:plain group RAW_FILE_NAME=64 SUBJECT_SAMPLE_FACTORS human faeces A_46 Treatment:plain group RAW_FILE_NAME=66 SUBJECT_SAMPLE_FACTORS human faeces A_47 Treatment:plain group RAW_FILE_NAME=70 SUBJECT_SAMPLE_FACTORS human faeces A_48 Treatment:plain group RAW_FILE_NAME=72 SUBJECT_SAMPLE_FACTORS human faeces A_49 Treatment:plain group RAW_FILE_NAME=73 SUBJECT_SAMPLE_FACTORS human faeces A_5 Treatment:plain group RAW_FILE_NAME=7 SUBJECT_SAMPLE_FACTORS human faeces A_50 Treatment:plain group RAW_FILE_NAME=74 SUBJECT_SAMPLE_FACTORS human faeces A_51 Treatment:plain group RAW_FILE_NAME=75 SUBJECT_SAMPLE_FACTORS human faeces A_52 Treatment:plain group RAW_FILE_NAME=77 SUBJECT_SAMPLE_FACTORS human faeces A_53 Treatment:plain group RAW_FILE_NAME=82 SUBJECT_SAMPLE_FACTORS human faeces A_54 Treatment:plain group RAW_FILE_NAME=84 SUBJECT_SAMPLE_FACTORS human faeces A_55 Treatment:plain group RAW_FILE_NAME=85 SUBJECT_SAMPLE_FACTORS human faeces A_56 Treatment:plain group RAW_FILE_NAME=87 SUBJECT_SAMPLE_FACTORS human faeces A_57 Treatment:plain group RAW_FILE_NAME=89 SUBJECT_SAMPLE_FACTORS human faeces A_58 Treatment:plain group RAW_FILE_NAME=90 SUBJECT_SAMPLE_FACTORS human faeces A_59 Treatment:plain group RAW_FILE_NAME=91 SUBJECT_SAMPLE_FACTORS human faeces A_6 Treatment:plain group RAW_FILE_NAME=8 SUBJECT_SAMPLE_FACTORS human faeces A_60 Treatment:plain group RAW_FILE_NAME=92 SUBJECT_SAMPLE_FACTORS human faeces A_61 Treatment:plain group RAW_FILE_NAME=93 SUBJECT_SAMPLE_FACTORS human faeces A_62 Treatment:plain group RAW_FILE_NAME=94 SUBJECT_SAMPLE_FACTORS human faeces A_63 Treatment:plain group RAW_FILE_NAME=98 SUBJECT_SAMPLE_FACTORS human faeces A_64 Treatment:plain group RAW_FILE_NAME=99 SUBJECT_SAMPLE_FACTORS human faeces A_65 Treatment:plain group RAW_FILE_NAME=102 SUBJECT_SAMPLE_FACTORS human faeces A_66 Treatment:plain group RAW_FILE_NAME=103 SUBJECT_SAMPLE_FACTORS human faeces A_67 Treatment:plain group RAW_FILE_NAME=104 SUBJECT_SAMPLE_FACTORS human faeces A_7 Treatment:plain group RAW_FILE_NAME=9 SUBJECT_SAMPLE_FACTORS human faeces A_8 Treatment:plain group RAW_FILE_NAME=10 SUBJECT_SAMPLE_FACTORS human faeces A_9 Treatment:plain group RAW_FILE_NAME=11 #COLLECTION CO:COLLECTION_SUMMARY Fecal samples were collected from participants using fecal sampling tubes CO:COLLECTION_SUMMARY (Shenzhen Medico Biomedical Technology Co., Ltd) and were also stored at -80°C CO:COLLECTION_SUMMARY after sampling. CO:SAMPLE_TYPE Feces #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 For fecal samples, 60mg of the sample was mixed with 600μL of 80% iced SP:SAMPLEPREP_SUMMARY methanol, which included 0.001mg/mL 4-chloro-DL-phenylalanine as an internal SP:SAMPLEPREP_SUMMARY standard. Zirconia crushing beads were added to the mixture, and the samples SP:SAMPLEPREP_SUMMARY were disrupted using a vibratory crusher operating at 60 hertz. Subsequently, SP:SAMPLEPREP_SUMMARY the samples were processed by ultrasonication in an ice bath for 10 minutes and SP:SAMPLEPREP_SUMMARY left to stand at -20℃ for 30 minutes. The supernatants were collected by SP:SAMPLEPREP_SUMMARY centrifugation at 20,000 g under 4 C for 10 minutes and then mixed with SP:SAMPLEPREP_SUMMARY three-fold volumes of distilled water. After ultrasonication for 3 minutes to SP:SAMPLEPREP_SUMMARY ensure even mixing, the samples were placed in a -20℃ environment for 2 hours. SP:SAMPLEPREP_SUMMARY Finally, the supernatants obtained from centrifugation were transferred to SP:SAMPLEPREP_SUMMARY sample 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_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_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: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^-Deoxyinosine 82161.6921 498578.2477 641777.2793 37852.1396 31295.8757 100991.4719 23165.3520 37427.3629 235387.1872 135196.3809 104942.8899 842872.7101 122162.5924 55695.0055 140561.7416 133620.0852 1238872.3290 144716.1821 518811.2788 138094.4138 308992.9572 659194.3717 43891.6358 652178.0472 74706.5864 163614.4678 94049.8010 109235.8029 557301.3251 180284.9124 481434.1320 90075.7991 360019.8248 381188.5636 70299.5855 331149.1693 205452.8409 49534.7407 667254.1544 381972.8992 99478.7647 5102.0172 455121.2355 718.8046 420059.7279 20593.0955 16940.3093 34486.0690 315264.0857 6711.1773 1198622.9100 643677.7298 55416.5954 869652.8151 965576.5481 134188.6869 2698.2366 194062.2921 562430.1771 237.7248 218556.9919 90722.6898 111734.5559 4406.0532 26053.9136 182034.0109 200612.4110 194292.3593 70832.1360 31316.2128 165417.4916 301469.4567 544410.4690 780134.2274 153957.8113 350781.0078 101378.2568 141827.0355 589163.7790 629936.1412 148604.4760 15030.6452 102464.9098 18968.3128 148188.0190 703155.3264 633039.0481 449913.2054 195486.5411 4330.4473 20184.6398 177120.1898 52927.8567 132285.2760 77615.0326 576482.7212 313346.0364 694879.1980 954739.4117 170005.6563 342951.7516 613052.8479 110023.2972 99916.0567 882943.9664 584525.7526 20228.3407 151538.2143 187457.1719 81656.9490 182926.5679 315389.2565 21416.0749 472541.2792 212688.9589 111556.5529 677106.2693 88767.2699 195581.4412 377655.3223 738400.6122 11480.2509 128614.8964 96530.5969 392415.0408 69242.2371 5521.8682 279459.5143 152157.2662 80312.9736 312598.9031 271816.7056 177134.1905 57473.8628 62347.8775 823350.2155 431683.5031 293218.5327 179751.2051 395359.0064 553545.0763 112219.3429 55133.2192 2637.7953 279442.0549 62991.7378 293147.0279 6029.5572 104632.7173 410593.2818 270748.7895 148667.9912 797706.8891 1024.9233 184733.6597 990854.4774 169136.5821 176111.4874 132223.7145 100857.1801 1375.7583 37020.7936 12061.9569 104887.3203 26977.5062 16314.5659 1713.9346 8177.9121 8425.6922 5558.2785 10248.0913 70832.1360 816.9358 35960.7505 50083.4639 6229.3395 23697.1591 26863.6445 4489.1002 19692.3761 9083.3430 8918.5965 12823.2603 6516.5673 19651.7731 20231.1368 13533.1376 9875.2805 6442.5273 13583.9309 11722.5575 2624.8661 5560.7687 4780.6149 3844.8302 49346.2911 13246.0962 3773.6958 3995.7710 6789.6445 34129.8157 14578.5777 4140.2145 9649.3699 6303.0422 13784.4174 3388.9089 14921.4466 15014.2859 5866.1275 10604.5205 92831.0361 9370.2476 549.7792 12851.1480 8482.0365 13030.5135 8794.0679 1317.0211 14504.9218 17401.5668 16179.9679 1377.4680 9158.4001 7864.6975 5276.9015 14694.9475 14748.9187 2-hydroxy-2-phenylpropanoic acid 27526339.0400 7210328.5890 193985.9170 197859.4370 5488300.7650 954737.2710 3915226.7450 8285764.2220 2114625.4850 214595.5190 40563.0060 3219028.0730 45818.2510 911791.4720 150043.9000 807351.1500 111376.1370 10199257.7300 50902.7430 4806073.5370 3637053.0110 2179769.0100 674414.3040 62076.4310 1292346.1420 158796.2470 4513231.2180 4138736.6310 1801456.6130 273941.3800 7031008.9110 124338.0930 3773372.2460 9286072.5960 19201854.3000 730459.6750 2297159.0660 1875874.4520 98330.8690 562875.2330 625912.2670 4747952.2320 1408824.1410 164222.1020 442113.5780 398234.7930 6143982.5220 78336.9750 19112498.2200 73154.0370 1617615.8510 4416072.4390 2714246.3360 3515520.1410 6201916.3010 6126039.5120 214608.9390 7534197.2270 9464818.8120 2889125.5310 416191.3470 6586461.1110 281705.3470 27088.5190 148079.1220 4232358.9970 2765135.0670 50523187.6900 1262471.4580 84739.4090 106190.5780 2035199.4320 3707.0330 2532384.8390 2541505.6130 895993.4170 46579.8880 142946.8580 3993165.1990 5819131.5010 339201.6100 20914.0840 30057.0510 10889323.0700 2565482.4130 2278597.2010 1900838.3260 2331627.8160 7049627.4760 264046.6110 84576.1340 5247023.8150 3881575.4480 2371223.2770 91278.6740 41010.8000 3064861.7550 6656221.5480 51895.6130 225292.5860 4297290.3640 28277306.9800 6651179.8730 183649.3700 3630063.6650 175960.5160 65698.2210 8850169.7270 1969997.7770 1186337.7810 355823.9000 1735242.1420 2192.3800 136490.8100 4910130.3780 87932.9250 3276551.9880 34878.9180 2803022.7390 8502404.1060 6004803.7910 49808.1760 6091933.9430 5714575.1360 5864848.3210 948770.6660 3792047.8850 16406064.4200 773337.4770 10887069.4500 581493.1570 320016.6870 3985585.3410 7469914.0530 56148.0920 719988.5540 1953446.2750 286593.2910 52532.2160 2250814.5000 56845.3880 5607654.3250 3007145.1870 2993633.6930 5826594.3340 4916930.3250 10320921.7200 4182118.6920 41822.9180 104887.7270 28182.3970 24826.4540 6254903.9450 2099425.3920 9065861.4640 2249397.9820 1386712.3340 2053287.7790 3545748.8940 10305876.4000 3749263.6600 14756.8470 11026.5040 340696.2230 6130524.7890 152639.8750 781189.9520 5358754.9830 965906.2380 49490.5960 106861.0650 1262471.4580 6279.6710 129824.7510 262052.7130 3675482.1750 181520.9000 3069867.5070 12172896.9500 883726.4100 2187733.5070 440619.4610 716335.1750 675534.0680 190404.5220 472116.4030 145457.2640 31168.0800 10262027.3200 592654.6930 76406.3040 483696.7730 3011641.9990 469454.5750 38032.6940 48889.9990 7338377.2380 833776.8210 5555631.5160 852621.5120 321914.5600 4503049.7010 11444914.2500 2847101.7280 1230207.8650 140608.6070 5758056.2670 56172.4270 4129229.2120 7584556.9310 1506208.8660 323772.0830 1604391.0350 16323.2010 3144766.9840 3747927.9280 3208721.9600 2865065.1100 4825165.4180 6980619.6120 3323816.7170 6361850.6870 4153164.7550 4682491.6580 234122.0390 5017152.6230 5725593.5620 6422498.6110 2-Ketoglutaric acid 86757.2654 184786.9599 273319.4768 20010.1997 17887.6840 28347.3281 2474.7864 19186.3139 6946.1333 3938.0652 9139.0006 6220.9589 24760.5412 3619.3761 142449.1603 48769.7885 60152.0892 27200.4451 77362.8948 48479.2551 41959.2201 3984.5537 6553.1665 18627.1617 85620.3817 5005.4181 27151.9701 36710.8311 10559.2103 13194.9942 2236.6802 63649.7357 21272.3899 22598.0699 12292.8968 6547.2411 25681.8543 10260.2073 49288.0410 34811.4531 18252.1123 68686.0864 2643.1525 9973.8360 19078.6190 47891.2549 18794.2334 7781.0169 24656.3507 27617.2101 45499.1176 32538.6410 112264.3364 13155.4231 44962.4839 95490.4452 227574.3532 6084.4962 10300.6221 11762.2179 31283.7638 60130.5454 77664.1734 39556.4074 131858.8683 25993.5450 15928.2177 158660.9252 45614.1404 70783.4771 158226.9169 24532.0541 24723.1527 22950.9020 6131.9044 28343.3794 42602.9114 26767.9570 13541.5912 21599.9234 28669.2273 24228.8922 146532.5303 28887.0379 119580.6844 7370.9619 15203.0916 35741.8034 24784.4817 12972.2624 225991.7619 31916.4615 97133.9668 21648.0615 128675.5317 8846.2973 2749.5012 8989.6556 41910.5877 2984.3674 7953.1651 12603.5257 53725.6026 24466.0241 10724.9432 11934.6608 46297.0299 10151.0674 22162.5465 6070.8887 86798.0023 14966.5979 28752.3030 22491.1650 19528.7465 42390.7402 11376.5011 577678.7341 3487.1999 19529.4401 20412.7355 103926.1665 36902.9503 7259.4281 45261.9448 23380.3172 3982.8121 8297.3223 21503.4422 10945.1443 53218.4831 21996.0286 7643.0116 20870.3889 114361.7445 19559.3651 9232.2460 38288.0729 34290.0598 66388.0372 74001.6354 66062.3044 49628.0329 19536.7840 34217.6418 66136.3069 73383.7480 12514.5795 49640.8566 29812.8057 6780.6661 63256.3094 17434.9644 23627.1071 40972.8263 7740.9578 248087.9435 132868.2161 154087.8858 62742.8959 27865.9653 993.6884 1746.2901 3531.6703 2580.4884 1871.6176 1770.1475 520.9372 3830.2254 759.4265 1084.0082 45614.1404 33012.4712 946.8038 5147.0267 1736.8487 825.6437 14227.7679 3525.2961 2442.8586 4214.2132 3401.8740 1558.7634 4439.0604 2663.7798 1404.7040 3035.7741 3864.5882 2145.2876 3948.3050 2523.7190 3065.9104 2704.4841 3470.1343 2162.1649 9023.2315 7867.0781 269.1020 4770.5838 26931.8974 7873.2191 4400.1284 9890.7089 3614.7849 1847.5461 3692.8739 4095.3073 15636.9750 4384.7072 5002.1622 2081.8735 3498.1367 5088.3090 4368.1283 1234.6178 2166.9392 9913.7947 2512.0026 1555.2944 5460.5738 11924.8842 6737.8386 4965.5948 3275.3067 5902.0610 7104.0812 2125.8490 6814.8462 3-Hydroxybenzoic acid 2020.0075 44481.2277 41878.4206 18892.3370 10251.3761 147791.1389 115754.4329 6715.9390 113797.0776 113666.3520 60595.7990 128949.8445 12305.4019 139726.2180 40358.9998 19007.6983 26822.5453 64428.0894 14446.2602 52528.9557 83844.3084 94729.0498 26434.0860 56779.0250 40271.9837 58518.8344 62269.7774 117807.4716 82940.4886 3298.2625 9782.6069 9501.0896 52090.8517 130215.8428 9085.2360 25814.4802 107727.6300 713.2121 18961.7152 10807.8908 61975.3898 34269.8622 32031.4637 487.7770 37394.5237 95658.0928 4280.1625 1661.7868 42478.7107 2331.9746 60410.9496 34330.6596 39499.6869 143652.7361 103956.6657 101777.9003 31992.6520 45496.5157 68600.1106 67655.3049 92636.0682 74358.4176 33286.4260 1000.1183 399.1700 68460.9168 43733.8987 623982.9566 93276.8186 6674.2952 10598.5180 166948.1379 17738.2318 118340.6222 54042.8179 15845.5756 15277.6452 5043.2961 158082.1118 64805.5020 23810.9717 84490.7743 14014.3952 36888.6221 70370.0261 106008.9472 41432.8745 40836.6134 43957.5155 13635.7787 11959.2339 57035.4828 6302.4753 62390.5847 4048.3896 29930.5532 67839.8548 95042.0341 20667.9017 60930.2471 68590.5324 122897.7339 21833.4998 74081.0702 66823.1517 34498.5124 55728.7768 28172.1462 120543.2681 38304.6572 88419.9512 101273.1886 106.5135 57105.4714 55622.5158 33739.7851 102074.0826 11426.4183 93526.7686 151616.0636 82595.7344 106367.9381 59324.8558 78250.9968 26911.6608 37558.6658 7261.4954 103505.5498 52654.3499 12473.2011 36481.2537 32458.2162 24515.5806 30969.4257 17726.3436 79775.1421 111621.2324 82529.6883 3541.7795 43091.9900 16265.5567 28384.3057 483.4819 511.7517 2351.5148 12489.1419 23048.4401 210411.9576 81390.2341 1590.0090 65530.8463 64963.1562 92089.0985 702.4939 428.7312 38002.0446 43977.3747 505.2459 72948.9711 2275.1293 39189.6039 4824.0878 1615.1700 4435.0006 2148.3780 7562.7822 8170.9093 132276.9145 7785.3500 69644.4031 12049.1546 93276.8186 47926.1505 5384.7583 114772.7712 140871.6244 149527.1031 71680.4802 13710.9437 132033.4167 52031.4043 24123.9048 44438.0272 55119.8256 164511.5518 23644.5625 16440.7000 51531.3616 13602.9519 27916.7591 85671.1583 229747.0455 3497.1997 52764.3922 56344.9555 3934.7235 29956.2192 5647.8378 146853.5418 6966.1970 69317.5787 5033.1131 81000.5561 79616.2312 95350.4976 22532.6942 37945.1102 7602.4272 68485.3547 150371.0029 19561.2846 48486.9874 112716.7911 20890.4433 11967.4456 36039.3810 5048.3586 22961.8755 103545.1492 415990.4916 67327.5748 5136.4752 7104.8730 153185.8017 5053.1086 116373.0026 55062.5931 7758.5883 3-Hydroxyphenylpropionic acid 27526339.0400 7210328.5890 193985.9170 197859.4370 5488300.7650 954737.2710 3915226.7450 8285764.2220 2114625.4850 214595.5190 40563.0060 3219028.0730 45818.2510 911791.4720 150043.9000 807351.1500 111376.1370 10199257.7300 50902.7430 4806073.5370 3637053.0110 2179769.0100 674414.3040 62076.4310 1292346.1420 158796.2470 4513231.2180 4138736.6310 1801456.6130 273941.3800 7031008.9110 124338.0930 3773372.2460 9286072.5960 19201854.3000 730459.6750 2297159.0660 1875874.4520 98330.8690 562875.2330 625912.2670 4747952.2320 1408824.1410 164222.1020 442113.5780 398234.7930 6143982.5220 78336.9750 19112498.2200 73154.0370 1617615.8510 4416072.4390 2714246.3360 3515520.1410 6201916.3010 6126039.5120 214608.9390 7534197.2270 9464818.8120 2889125.5310 416191.3470 6586461.1110 281705.3470 27088.5190 148079.1220 4232358.9970 2765135.0670 50523187.6900 1262471.4580 84739.4090 106190.5780 2035199.4320 3707.0330 2532384.8390 2541505.6130 895993.4170 46579.8880 142946.8580 3993165.1990 5819131.5010 339201.6100 20914.0840 30057.0510 10889323.0700 2565482.4130 2278597.2010 1900838.3260 2331627.8160 7049627.4760 264046.6110 84576.1340 5247023.8150 3881575.4480 2371223.2770 91278.6740 41010.8000 3064861.7550 6656221.5480 51895.6130 225292.5860 4297290.3640 28277306.9800 6651179.8730 183649.3700 3630063.6650 175960.5160 65698.2210 8850169.7270 1969997.7770 1186337.7810 355823.9000 1735242.1420 2192.3800 136490.8100 4910130.3780 87932.9250 3276551.9880 34878.9180 2803022.7390 8502404.1060 6004803.7910 49808.1760 6091933.9430 5714575.1360 5864848.3210 948770.6660 3792047.8850 16406064.4200 773337.4770 10887069.4500 581493.1570 320016.6870 3985585.3410 7469914.0530 56148.0920 719988.5540 1953446.2750 286593.2910 52532.2160 2250814.5000 56845.3880 5607654.3250 3007145.1870 2993633.6930 5826594.3340 4916930.3250 10320921.7200 4182118.6920 41822.9180 104887.7270 28182.3970 24826.4540 6254903.9450 2099425.3920 9065861.4640 2249397.9820 1386712.3340 2053287.7790 3545748.8940 10305876.4000 3749263.6600 14756.8470 11026.5040 340696.2230 6130524.7890 152639.8750 781189.9520 5358754.9830 965906.2380 49490.5960 106861.0650 1262471.4580 6279.6710 129824.7510 262052.7130 3675482.1750 181520.9000 3069867.5070 12172896.9500 883726.4100 2187733.5070 440619.4610 716335.1750 675534.0680 190404.5220 472116.4030 145457.2640 31168.0800 10262027.3200 592654.6930 76406.3040 483696.7730 3011641.9990 469454.5750 38032.6940 48889.9990 7338377.2380 833776.8210 5555631.5160 852621.5120 321914.5600 4503049.7010 11444914.2500 2847101.7280 1230207.8650 140608.6070 5758056.2670 56172.4270 4129229.2120 7584556.9310 1506208.8660 323772.0830 1604391.0350 16323.2010 3144766.9840 3747927.9280 3208721.9600 2865065.1100 4825165.4180 6980619.6120 3323816.7170 6361850.6870 4153164.7550 4682491.6580 234122.0390 5017152.6230 5725593.5620 6422498.6110 4-Hydroxybenzoic acid 12703.7512 54032.6101 47008.1971 1667.2406 12105.5324 176928.9644 153692.5441 8469.7792 145841.5800 141622.2908 73459.9143 148967.7764 15257.0811 159322.2081 33484.7891 17772.2462 30964.4851 80341.5525 18033.2514 71459.9718 97270.5469 113345.8777 31007.9812 56336.0004 46368.2768 70045.3317 68875.4966 144098.7558 97750.1937 5143.7139 11761.3116 12337.7746 65408.1993 168021.0251 8115.9383 33290.7303 139227.7226 10777.0830 18248.2699 12132.8849 75143.4915 35562.8701 37425.4200 942.9553 46360.7586 113529.8779 3769.2013 635.9273 45924.4784 2965.3574 79830.3733 40353.8238 49248.0698 173405.1181 135073.7462 116737.5493 38331.1945 56488.6123 84832.8336 73772.7261 87800.8981 89268.4423 46779.5852 458.1481 6898.5257 81275.3964 54245.8349 731733.0905 111781.3062 10092.7628 10048.3435 225845.8524 1492.3870 138226.9633 69649.5450 16542.6893 18329.6410 5660.2530 188551.4012 65717.0346 26574.2160 108806.9303 16481.0006 42765.5909 88205.3624 133255.6660 52244.8612 53277.8703 54142.8417 16133.2421 19116.6118 80064.7143 7424.1591 72132.0078 4105.5331 33684.6707 83593.1454 106981.1364 27872.2262 74220.0527 74708.5907 145697.1903 30397.1448 94671.2034 80749.3999 43711.0630 70561.1102 3223.6007 143427.3508 47532.2150 102972.1718 133026.8880 291.7737 69603.1145 70511.0614 38143.9132 126229.9907 10745.4384 110882.1641 178380.7266 100736.1460 124000.9834 71391.7485 95341.3172 39206.8903 44931.9457 7427.4242 126092.2361 59153.6104 15150.2185 47390.9761 38281.6226 34081.7208 35853.9009 16973.0891 93072.6608 139548.8855 106113.9681 5076.4791 58716.3290 1086.6315 36713.2081 687.6719 13371.3195 16923.5971 17787.6407 27715.9376 237829.5886 98606.6323 3086.8336 85388.4684 71982.9032 111830.0930 312.9403 2525.9403 44050.3902 58867.3149 733.1890 87991.4354 1292.7313 46379.1610 7292.9977 4087.3602 6741.5232 6197.3239 15052.0005 5590.2124 143740.2380 5581.8205 79740.3314 15581.3474 111781.3062 71896.5303 4317.1594 140837.6615 155346.6401 192472.3690 95507.7827 26066.2376 164405.3054 57964.6745 21656.3857 53518.5315 59642.2934 182566.4832 26210.4777 13068.0990 54456.2073 12280.2644 27662.6495 103293.8451 273765.7178 6489.8974 66966.6166 69479.6151 6205.9117 33254.0595 5146.8449 165448.1444 7091.6777 82584.9968 5908.9897 91062.0284 92999.2915 123140.5765 33834.7588 40753.6152 15685.2423 81906.7572 172183.8449 24414.7678 68134.1084 134698.9771 25237.5000 15393.5648 42301.2297 5945.9893 27166.9778 123020.8551 481609.8312 86191.6969 7776.4304 8835.6836 184380.3004 4186.2978 131295.6052 62753.8824 4576.6065 4-Hydroxyphenylacetic acid 35755.8183 1598.4681 1277.5923 11421.6762 35620.0528 10865.1353 2242.3902 12604.4880 3958.8596 748.8083 537.9597 15852.6226 2225.1026 24881.2537 10535.3546 2441.3136 4608.6836 5672.2034 6227.3059 10012.3074 1811.5810 2667.7183 2105.7770 2915.3075 1931.7840 6369.4342 14210.1124 4947.7347 22587.9101 7208.7085 23602.2693 7712.9823 7509.1381 251619.4118 15992.9507 50043.0153 316.3745 2543.6096 3282.5317 13562.9957 111878.7079 23014.6008 31598.8719 837.1741 5021.3731 9728.9660 24379.8415 1664.7106 38905.8211 4092.0958 1360.4370 19838.8172 5038.3357 17178.6162 11606.3710 4982.7349 5183.4223 295.5040 4908.7980 30648.3685 2469.5030 129515.6904 1476.2377 4443.7976 9004.3993 14149.6761 12196.5499 27400.2910 11537.4334 735.9748 2933.9907 6304.1754 4681.0415 5244.9160 13963.8053 16762.3806 19799.2578 5345.0061 18511.5515 15295.1361 1156.9981 10605.2386 6101.8620 51391.4393 323.4215 19713.9741 1238.3202 4826.9955 573.2137 1495.6545 10472.7066 4236.1840 40822.5407 289.7988 3916.0544 371.8489 3786.4684 15323.9857 2202.1824 2017.8039 18843.9617 2584.2797 29883.5870 18313.8748 10785.9964 1037.1727 989.0498 17519.7964 6591.1281 6559.3254 5485.1581 5966.1484 454.5093 395.1685 1106.5133 98917.2580 10848.0817 4848.5625 3876.4937 8085.8102 4178.2119 13276.0877 12394.5195 11117.5948 7160.2083 4527.6268 19457.1123 1406.8635 10704.3775 5122.6816 4982.4066 632.6153 2372.1543 15549.2315 15735.1617 572.9979 1984.7974 1080.1203 360.7764 732.0998 16725.3284 8584.1136 25612.4352 4462.6002 10953.7180 4622.1074 79433.4614 1401.9568 163.9696 7981.3006 482.8931 1534.8732 67040.9601 1802.7016 3901.9097 1179.8229 18612.7083 1609.7446 21720.6310 18266.7947 455.9368 24411.5962 724.3928 6519.4628 4740.6799 3324.8310 14438.6638 4892.8647 3140.7228 28305.4425 8307.2709 11537.4334 269883.7954 8908.8876 55595.3617 16037.9290 1268.0056 7462.5221 20150.1053 12201.3018 4457.0930 18047.2323 6907.4421 72237.6174 5601.1549 10628.2503 4411.0878 3336.1697 24889.3966 23045.0238 1396.1031 324198.2116 12561.3965 2513.2075 10062.4009 1349.1497 325152.7969 15244.8675 24439.2715 1805.3123 8033.0795 8483.6135 9680.6869 18120.7595 11782.9865 1811.2674 14718.7816 3859.5627 14120.0929 3811.6577 7784.9945 19052.0788 6700.1584 4455.2420 72005.4892 14973.7016 25636.9724 8201.8666 78185.0482 22691.1672 20865.0591 10034.0708 4675.7467 16811.8922 13683.4757 3174.7587 8269.6400 4819.3940 Azelaic acid 255752.9200 374762.0300 2537827.7500 244233.6900 264813.3000 266034.3700 357148.9200 164700.6300 215056.6100 187216.6400 177017.1300 185544.1800 247736.9000 251215.1900 644279.4400 238774.3700 850978.3700 190978.1300 594331.9200 470621.4100 314229.6500 151244.3200 139120.9500 593932.0400 187984.8700 132369.7500 256408.6800 170993.0600 239906.2900 2807975.6300 409156.7500 493516.1600 641815.5500 278694.7800 556849.0700 432501.3200 385385.4600 483858.1000 406447.2400 1020002.3900 491215.0000 601532.1600 184061.9900 516986.9700 222790.2900 310683.3100 308693.7900 922740.1800 469601.5100 740268.6600 285269.9800 252197.0500 253907.1000 471199.8700 499721.2100 249144.2000 535446.5200 92037.4000 210750.5000 498407.1200 467872.2400 401711.8100 498993.9600 490895.1200 170939.7300 257947.0600 132317.7800 499280.6100 549255.9900 247572.3000 807055.9900 580290.7100 47094.1100 374290.4000 203185.5700 511349.9700 509156.1200 719049.0700 436514.4100 193042.1200 77175.4600 322485.6600 1194533.3100 405698.7000 137794.2900 268747.3000 156495.7400 336317.8700 203375.0200 389881.6800 755376.6400 614091.0200 131177.8900 151790.7300 1688245.2200 205810.5600 221962.7700 378242.1300 149179.4100 157147.9300 470128.8700 222723.5500 540072.7700 333101.2500 157682.2500 117371.5000 247257.9900 496316.3600 167095.2500 152911.3900 273184.0800 272672.3300 835948.2000 103031.9300 303311.6500 82163.8700 101215.4000 421201.6600 245992.8200 388430.4300 282822.0500 493603.6400 238343.0400 140637.2300 1648828.2000 160018.7900 370969.0300 144292.8600 106132.5000 135928.0100 132533.0100 133998.4700 169204.5300 356342.3700 613631.0200 281482.8600 265152.3700 292759.2800 164350.1000 164546.5600 342050.9400 513328.0000 303596.9300 302586.5500 245556.0300 412643.6500 282586.6200 234031.2400 122879.7600 463134.0300 155714.7000 144975.2000 186001.5400 428742.9700 245358.5900 155840.0900 358886.4700 461840.3400 165485.7700 287876.4600 343693.6900 367016.1000 437201.7200 725653.9800 335089.5300 2007746.7300 351719.6500 607298.5100 236743.9800 195180.4700 384440.2800 549255.9900 626639.2700 532960.2600 506433.3500 191468.7800 214050.4800 158261.1700 412365.9100 246235.3000 147091.2000 510953.9000 385300.2100 277953.3500 199579.6500 375201.4700 420376.0700 148184.9200 226000.4700 356094.7700 376188.8800 213937.4300 289665.1700 118585.9500 170163.7100 834249.5800 266177.6000 290306.7900 255079.8300 231839.2900 214013.8500 423743.7100 269597.1500 181445.7400 319503.1100 305797.7700 441032.9000 395770.8000 287549.7700 231253.0700 425544.4900 108153.0200 205822.1500 106571.4700 334658.3100 281315.1800 376143.9000 709159.5600 266644.1400 363297.6200 350398.3500 508592.0000 433450.4100 330408.0800 361501.6800 737398.5200 406869.9500 275421.8500 Caffeic acid 1115091.7050 1702.8519 4330.6274 917.6024 14297.5042 62946.9872 38587.8048 7270.2640 89430.1737 177192.8451 442323.2418 155743.1140 11346.0415 33860.6919 24201.1124 35105.9140 19060.1799 12471.0953 43270.9284 1664.5973 31637.4807 64104.0851 1155110.1600 25474.1384 2421.3441 156747.6572 35694.1917 3468.7718 44563.0240 20302.4650 80467.3671 51034.0488 57561.8257 5567.0316 291463.7100 107527.2370 65252.3724 37586.0980 25597.1499 13535.0928 106067.6408 143481.3436 1933.6047 5991.5948 62831.2186 71534.2107 127077.5858 4740.0001 121265.6814 765504.3892 2085.7390 12630.8326 58218.9261 39809.6172 13087.5792 105947.1782 29215.3434 4211079.3720 61664.9693 98854.1892 7379.5419 36599.6410 1008.5597 5035.2181 15295.9363 75967.3087 1993.8877 137522.1154 43003.8627 678.7364 119859.1181 85736.9972 30019.1315 17299.1832 23418.8770 11936.1682 633374.0189 55705.8458 23678.8088 45904.0414 3591.4383 139543.7394 40125.1671 62836.8839 46217.2760 39974.1699 2855.9871 19858.4715 1588.9389 63198.3953 17540.1255 11315.4229 73341.1406 73319.6094 11212.2345 1017.6170 338445.9606 1666939.3670 24508.6766 172366.3703 531444.1255 453654.7668 94021.2170 43534.7349 256516.4974 52877.1006 55547.2580 2076.6861 134962.0192 5692.2038 29450.6522 42150.4539 3167.6049 44998.7640 114476.8013 1848240.5420 99284.4808 15080.6917 57263.8030 75885.5546 92203.3013 74751.8089 88698.8974 87302.2184 83079.2862 15648.4844 108048.7888 2883.4083 153320.9192 49924.8332 745.6526 1042.4042 664714.5015 33687.5733 80566.3095 194264.6597 313965.8863 53240.9547 17113.2209 205877.7821 3498.8221 41679.8323 30912.0116 1593.4057 2476.8466 10508.6833 3036.5572 1462.8587 248779.6022 194523.8662 123589.7987 8291327.0130 89103.3521 1681.7612 12193.6303 1679.7334 1241.6733 1001.6051 1783.9851 103410.7325 204.4289 4088.1497 4524.9867 8956.9338 5291.8909 10723.6584 43184.5746 11317.2951 5369.8190 1332.6018 4352.3147 43003.8627 1828551.9310 8531.3691 10340.8182 16297.0711 96161.9250 22790.6712 7656.4642 38450.5491 66395.5414 8709.5804 6366.0267 27628.5986 55841.7450 6198.1309 11585.1541 23876.4952 53317.0669 16415.5191 105328.9080 20221.8949 13214.0626 4937.4467 4965.0032 2430.2115 12101.5912 3649.8576 33375.8433 10042.3126 1796.5735 11292.3427 32791.1680 16562.4424 7490.8474 5863.2792 9628.6499 5235.2583 5658.3665 9476.3413 8653.7225 89957.2976 54761.4589 9122.0788 5140.5609 9412.6178 6328.2609 10723.3864 8748.1577 40880.8193 28090.9080 7815.4968 16094.2839 25235.1649 5214.3675 62317.8866 10195.8252 2519.1335 Chenodeoxycholic acid 55482.7029 12615.8070 26908.4363 78178.3351 58484.0510 26478.2498 20973.4156 59209.5444 58098.0242 23674.7052 30897.8772 15180.6411 70041.6457 23605.7217 31598.9120 62738.0078 88090.5228 8847.0173 51686.9980 59597.8342 47657.8612 52603.7448 17989.8321 53129.2096 26077.7870 23102.1608 43692.4135 59974.9824 46157.6754 32852.0747 31386.7455 27339.4471 45190.1433 2197.6846 3762.7635 38107.5606 42981.3712 54078.9305 32109.6063 40183.6443 17481.4993 53309.9709 7045.3217 29839.7456 50107.8816 49948.3752 21885.7370 33757.5730 34771.8356 63842.4652 25645.1992 12762.8575 7214.9689 42299.0473 11589.0126 22880.4599 61649.6347 6619.2644 53907.6397 15018.2643 26222.6133 7553.9242 58697.4980 72993.7691 51268.3582 30733.6618 28608.8955 10467.9225 16528.9933 33697.1749 19385.5399 29589.6678 14828.5320 7948.0034 32080.6879 16398.0516 48247.4936 26530.8033 33084.9771 15260.7512 4282.1797 17458.6145 23895.2767 33550.8460 24986.7746 17673.1811 46658.4563 43527.1058 35406.0249 32878.9582 66677.4902 32996.3661 4477.2893 37022.7470 59187.2721 37226.5548 39154.7782 44221.0502 39632.9349 45413.3233 30944.4299 48384.8201 52198.8153 27618.4719 6690.5640 31835.2072 8774.9152 30895.0477 34213.3965 28029.2945 26161.0714 52290.7186 54165.6472 5971.2092 71930.7074 29306.8053 40499.2600 27658.7825 35057.8506 32622.9294 68670.5302 33499.1599 77112.6093 83152.5979 30679.3593 26803.1027 29110.8757 60782.9465 463.4546 38579.7917 48473.7681 24970.9171 9372.3219 49982.4434 16619.9332 6531.9113 16133.5264 20461.8098 43687.7739 35980.4444 36785.3189 88939.3131 59666.8414 57528.9749 3683.8483 14958.8237 20135.0294 18788.8675 19460.3587 75027.0841 9383.8472 6707.5788 17516.8002 41034.5183 20739.6345 83032.7036 15188.2975 17084.2027 604.6253 37304.8375 48865.2830 24333.8861 37720.2192 65550.8502 80035.1017 13681.3482 19840.6807 25355.1742 61046.1526 13641.7168 42164.1785 16528.9933 1200.8773 59186.9920 21834.6101 16996.8935 17422.9028 31281.3622 35109.3534 18527.0287 43114.6666 31642.1302 34573.3379 16811.8786 44948.0757 34692.6510 40220.7799 3562.6631 16236.6318 14989.2625 8267.3243 4056.8211 23217.1490 4969.2703 17739.9474 54875.6253 18750.5949 40165.2670 12882.3873 12087.5490 46237.5765 44776.0404 17932.5103 47074.8838 24128.1413 27056.5556 32977.3629 40868.0343 6840.9493 12131.6643 44638.4717 34179.9074 3412.4147 33522.3714 83373.2630 28701.8880 44612.9604 32989.3951 42493.3247 42171.4803 42673.8792 38722.8126 30929.6393 24003.9425 41705.7480 25045.9845 6768.1076 68157.5419 Cholic acid 61870.9813 3979.8005 7403.9179 34985.2258 206037.4323 226293.4928 162969.8942 12410.4775 634511.2081 845400.6235 552215.6394 28657.0672 136421.3561 221700.0181 5337.3219 767938.5562 5733.1376 336084.8913 23966.1814 53842.8142 227095.0571 221556.3496 279551.0330 32483.0035 794887.2464 535525.5148 81589.1292 358038.2141 67490.8204 1784.0725 31373.1556 8932.6794 74033.7120 356570.8366 260399.7053 767427.7972 3186.1398 15914.1321 4410.8452 28720.0580 641809.7030 5278.5935 190633.9782 11020.6352 628488.9792 5445.2509 186786.7661 3165.3108 301777.9432 875.1396 98213.1667 423553.7919 163535.5439 311350.4651 467752.9765 632881.4113 5917.9514 412948.1181 131127.1951 1346.9540 100337.0152 394730.0543 7627.0671 8904.8620 93612.7695 479388.0427 236905.7565 4182.2182 814391.1198 16910.6850 13186.7285 685709.8833 388169.0756 534836.8272 339983.9129 9995.4032 13838.3346 56933.1687 254640.6183 67311.1533 192497.7854 364643.5129 9731.3935 7179.3681 13863.6556 56431.3607 228094.2192 92765.4900 32366.0868 8987.3663 2009.3170 272581.6084 321600.9760 52114.3985 8182.4729 6046.8969 387956.2268 290259.6728 12129.5967 862038.7761 135975.6025 27158.8086 498520.4681 41139.3952 393512.3411 379431.0740 4452.5373 5983.6622 47776.9562 251777.1448 294052.4475 144401.8607 1506.9808 193266.2473 444436.3165 547200.3995 58435.2179 3044.7781 295923.1907 309450.4892 167356.5073 5135.1704 492509.1522 545586.0375 1639.4007 15508.7600 40408.2825 286696.3702 5055.2044 98448.8722 14044.0909 10012.6189 586684.8454 206958.4605 10146.6496 416341.7169 233660.9643 10761.1205 370.6283 933298.0218 1875.0466 24574.0991 314838.6076 5938.3516 290147.5896 7195.0163 11329.2348 16428.4491 710501.5345 3198.4837 241043.8877 438463.5477 551739.0960 8803.5777 552.4650 221679.2420 428531.5441 1081.0612 129987.3251 409578.5521 6877.4343 2647.2774 2967.6682 30111.9082 3924.9683 876.2885 486.4607 3430.7854 262694.0584 5419.3427 13486.1410 814391.1198 231077.5970 4444.8770 228473.5006 3144.6369 262397.4104 176851.1398 169578.0991 618961.0072 284910.5982 6711.7863 252733.5510 212503.4536 501555.4708 731.7145 20162.9938 262942.4902 404010.6270 11123.1349 199451.0282 127416.1478 664.3992 340863.9290 4531.2476 1732.7380 4364.8321 5963.1253 424478.8083 14443.6886 615323.9787 23354.0976 185021.7635 249261.2942 5166.7313 973.0876 31195.0272 9595.8683 106731.7009 377185.2268 28003.9990 519339.3288 289381.4214 495295.0077 6796.7982 38884.8122 168657.9971 134799.2923 112064.6428 13158.4042 570086.5217 34211.3973 7604.6711 738994.9282 51821.1906 4068.3634 7019.6234 5555.3175 Citramalic acid 45716.2132 16014.4991 8769.6199 10363.6024 2962.0038 28243.9029 3099.3247 425.9403 7782.1172 57886.8339 16092.9705 4869.0905 9358.0046 80113.9608 6567.5409 13219.8372 31219.4707 5724.4446 7506.7914 14728.3023 14495.3611 333.2761 241.8114 659.8384 35111.2790 12968.9347 11303.9571 20078.3260 4845.3775 6972.8745 4504.2382 4248.7864 6973.6997 8984.7241 2003.0041 7566.8097 3993.1465 342.5003 8188.9781 7685.9182 132988.3094 8092.4868 541.7399 1877.9302 3930.3389 17501.3485 2795.3165 310.3352 2848.7372 120.5708 36521.6421 11559.9554 11544.2537 15544.3016 98703.7380 38900.2789 42166.1062 81437.3170 10776.4417 9248.8014 5810.5554 10691.0470 27069.8978 412.9607 2314.3925 5541.9491 10547.9433 7901.4772 5200.2340 186.1384 311628.8616 35857.3581 52443.5155 12262.1843 286923.1965 32037.9012 6476.2267 4222.9745 14957.7652 3721.1700 48910.3381 153296.1084 2974.2396 7420.1936 7916.7168 20262.3655 1930.3185 364.7605 14247.9095 1284.0682 12992.8513 20759.4063 14813.3551 3202.4336 6749.0709 2083.2343 8666.8183 21590.3200 6657.4298 47730.7189 4211.5448 3517.3721 13058.1396 11470.8489 36762.1487 24348.0910 2182.0772 26568.4017 6996.7066 19151.0625 5553.1380 7005.7878 368.5927 66309.7013 2266.6438 164710.5265 798.3760 8855.2895 18979.5301 3667.4498 10401.9622 10089.2729 25333.0975 66170.4989 15251.6295 143.0132 7108.8589 3729.1903 158.5614 1804.6855 10220.3910 6729.1793 19536.5628 29428.4295 9796.9254 128112.3822 49055.0098 24427.9620 1882.2765 340897.0573 10902.9186 3711.0262 18503.7052 11076.2367 17753.1792 6777.0455 7295.1988 3074.5823 121892.5323 12822.7177 69960.9317 282623.4436 112013.3097 4575.2483 2732.9231 31872.3810 45443.7461 30789.8135 9819.3170 17927.8897 10146.4032 3148.3044 2722.7007 6482.0338 5857.4644 6992.4586 240.6023 3511.5363 767.4132 4311.0214 2248.4749 5200.2340 68177.3745 9164.0777 27172.5084 1399.6467 2526.4247 3078.5196 134.2453 44339.9647 1808.5111 718.7632 455.8678 155880.0562 109479.3362 1264.5870 8165.7816 13608.9508 6523.4407 4431.9759 187635.5502 15752.1113 5443.2650 32507.0841 2173.0125 186.5078 3597.4528 1101.8143 6118.4524 4623.2782 10066.6368 1410.2375 10965.5756 5175.6769 3406.1237 1022.3038 5213.7651 926.1614 866.9723 1818.7722 2969.0144 20011.5858 8257.2694 38095.7020 6999.4120 653.7643 615.6526 2215.2849 2721.1245 20322.8087 95952.6570 4349.5282 113.6140 11941.0658 636.6863 500.5687 11332.0242 1734.8329 Citrate 371314.1607 308853.5071 151038.7610 52378.2600 92617.0006 60673.0475 12157.0102 15255.0104 33372.4028 966.2681 49596.3453 550227.5293 67253.1205 204732.3192 220787.5289 268435.2859 26617.7466 429489.7443 116657.9105 17561.8422 117431.9729 6820.6350 42829.4910 201670.3200 121990.2108 218967.6997 167371.2782 232168.1234 36685.0170 23244.4671 76791.4476 247042.3956 120436.3772 58979.2832 262451.2842 72734.0723 38391.2084 18681.4843 27610.5880 217020.7353 542232.3072 46774.4373 18758.5398 50703.3632 88843.7527 282474.4162 71219.9181 12152.4960 98551.9252 78495.5991 28790.7145 31417.0370 52792.7613 66808.5721 703024.5392 197316.0458 195236.0362 188185.1630 6103.1796 596619.6566 156785.5414 61727.2058 75598.8764 6116.3066 78778.7003 195801.5511 5513.2908 361563.7133 194193.7407 38398.0865 290929.7578 222471.4450 62425.5656 38777.4240 45963.4655 42453.1492 156901.5032 34027.2846 33137.9858 96997.0129 139848.7928 89828.2091 16473.0892 103132.8375 408325.5209 149771.3701 8668.9890 18204.8981 14615.5227 4989.1162 46587.8003 226649.0131 94408.5881 101499.0853 21506.4446 52545.2798 183063.1856 435860.2050 38778.4128 267480.3124 160995.8610 252821.2447 342088.6072 250217.7019 269843.8973 107584.8362 44710.9297 378681.8330 28696.2530 1192785.3060 415387.8924 96096.8786 1650.5178 303199.2530 7240.0775 50306.9754 15815.9209 63765.4316 305205.0285 18616.4414 30032.9639 47741.4192 38634.8111 227441.2574 111337.4351 23921.0218 621055.3910 4873.4730 142647.4261 22199.9092 51938.1996 33439.2059 29548.2979 18166.1943 492538.7796 76466.4334 792549.3458 215335.5508 17545.9951 586158.6420 757641.6048 282035.3025 265758.2572 43860.6712 1133099.7380 129606.1346 287347.3110 359377.2908 1353468.8780 181709.1645 286787.5058 3112659.7390 985757.5276 11643.0790 318375.6904 73102.3153 706751.2981 147680.0137 2215003.4540 711801.1259 205507.7913 72944.9992 30149.1361 98004.7942 28132.4235 11181.9820 9114.2819 57863.3194 8096.2310 335233.2978 27503.6024 194193.7407 55098.0976 15825.0669 20392.9036 8400.8850 44144.6786 25781.4363 2860.6725 10443.9517 17629.8495 11856.7554 13998.3321 42189.9150 6356.4724 10035.0693 48309.5777 11342.7623 5288.4562 542368.8042 8997.3088 27925.2599 24558.9865 230018.7941 223971.0592 37921.7752 59314.4866 4637.8743 18362.0571 69955.9590 46368.2982 17542.5684 10003.4358 23218.6529 13981.1261 20257.8865 43905.3757 21741.6088 158396.7443 37514.2337 19916.3666 26953.9806 17555.9208 170705.3566 9818.7210 4355.2532 16746.7670 18963.5196 34517.6806 41503.2802 51837.6164 9623.0705 18043.0759 9930.2439 18052.7974 35310.6344 36883.0929 32250.9005 Deoxycholic acid 1624075.6790 392443.9903 849193.7802 2088978.9200 1469982.2890 758084.9995 575241.6253 1837651.6510 1491355.3980 43321.1950 17302.5184 408838.7424 2022702.9750 605268.4614 1026455.0380 1988329.9760 2640796.1170 147357.3294 1558240.6480 1762858.4960 1590148.9950 1457648.1410 454548.1221 2047489.3410 1065577.0360 537380.8525 1264557.6830 1704503.7800 1341617.5190 1112456.8070 1150382.1610 718727.7949 1518821.0290 2399.0063 21273.6181 1171424.8880 1217487.9480 1375348.1610 979875.9625 1121907.1060 3252.8506 1374047.5490 358478.9808 853305.6972 1439103.1140 1368595.6400 557144.5907 945983.3038 1103543.8130 1812969.7200 699221.6170 334404.3726 133083.3108 1236611.4870 229947.6404 595969.3842 1844378.7040 280778.0845 1599257.5570 377239.8888 932038.5652 168768.4236 1933274.0320 2116549.1790 1303629.8990 430729.6906 538823.2607 357158.1985 1309422.3920 788928.6535 574973.1597 1922.9422 225199.5732 1705266.9050 986312.8537 492221.0096 1527561.6350 958331.3822 814209.3925 391658.3327 121100.3817 284545.0377 789092.4779 962103.4471 654988.7173 586222.9320 1346322.5830 1402684.8560 1070373.5440 869696.0726 1965752.2060 1105141.0340 3301.1633 1163462.4270 1724361.9320 957641.4974 1143448.6120 1315662.6020 1019216.5490 20972.7872 838945.7897 1187970.2950 1365873.8410 773170.4772 907554.5409 783863.7374 224944.2796 906856.5718 1107485.5080 998271.6745 820920.5810 1423335.7580 1590092.3290 403947.5585 1848044.3490 3699.8632 1127610.2910 684156.4279 831584.7933 860765.5885 1894388.5230 1247661.8330 2164584.5400 2121291.9540 933396.8292 832906.3594 785641.4453 1672290.7530 242580.1412 1044026.4210 1492176.0700 782067.1952 9876.6988 1446216.0940 435558.8170 1235575.6260 258647.9767 754222.6292 1348137.9610 29029.1937 969987.2698 2571445.8700 1613883.4930 1728887.4350 59033.9495 371379.4183 608976.0065 632320.8067 24019.7141 2262457.3020 143.5133 6914.1876 5944.7717 982866.2467 519240.0112 2101026.5120 1543309.1170 509580.3521 22380.0504 931857.7361 1386451.2810 784747.5557 1058989.5210 2062391.4880 2387462.9030 414461.4660 629321.2742 815521.6371 1989058.8140 465012.7874 1256664.5140 1309422.3920 30499.4084 1544086.6150 602053.4303 529483.5131 483816.3650 794045.8021 905563.0658 442584.7015 1403427.6350 1103514.0990 1030787.9390 509042.0786 1268267.5820 1119782.2300 1217322.4700 82675.7624 8028.1357 457776.5608 11400.2989 14567.8613 717338.0059 128527.0854 543181.8407 1661937.3640 677339.2225 1314971.0560 361338.6615 327451.8435 1137092.6420 1453930.1730 547345.1262 1370525.1260 725653.4259 910636.2512 953680.2660 1257763.7090 167052.1865 16517.2173 1409398.7530 940484.8643 58608.4641 35720.0254 2606491.7830 849441.5590 1449983.4280 1106517.8240 1456371.1420 1369059.9610 1015070.7240 1090087.4430 973030.8669 504234.7803 1396642.6090 694336.7452 240597.3852 2339556.9430 D-Fructose 15701.9033 47488.6044 19049.1069 30839.3439 22688.9983 46204.4787 64573.3391 14783.5689 47074.6669 32491.3981 21243.9024 15619.7295 31316.3998 29579.1077 71818.1155 21433.2744 14430.7761 14367.8305 47340.3489 31355.9872 29998.7379 25495.2305 11600.5785 36123.6978 46246.7867 51648.8803 276458.0777 60350.7042 37260.8118 13821.5823 48549.8824 18054.1365 40697.2969 13559.9006 9860.1579 22977.8783 18690.7649 17278.3218 14369.4506 26470.1404 10413.6543 13495.3799 26844.8489 58642.2601 30425.1121 34775.8365 39575.2834 21124.1499 13876.0585 15152.3832 47382.0661 33343.6302 29802.5083 33860.4889 48520.8814 28903.1989 28642.3479 16209.9700 11042.2668 4413.3635 30087.6407 15579.8510 24129.9660 25054.6486 14565.4226 23884.8855 10320.3639 19431.2086 66078.6149 13911.2780 21304.8740 26562.2178 46473.4680 92019.5978 14158.3952 16754.0197 19337.3984 56729.4293 17768.7410 40798.0068 29226.2461 38414.6821 13500.3593 44685.9682 39254.0836 70079.9434 36116.6471 106011.6536 38605.7141 23641.4645 46599.6284 51992.5425 21353.1336 27929.2896 20361.9644 42053.5954 21561.7747 37710.6857 44791.8791 43241.2161 28944.2000 16175.7265 29078.3764 12867.1446 27307.3520 15934.1459 39526.8582 12168.8085 32652.7825 123248.3974 17212.3838 14602.6072 19957.4837 25864.0375 38701.8714 50032.4939 31766.7940 30551.2208 452865.4809 43035.6767 60810.5009 37784.8831 29690.2709 202479.4216 19931.0535 11413.0755 20627.8212 27561.2077 11436.5867 15522.2864 23470.3162 9350.9952 16593.3182 31831.1654 15418.6604 36235.8209 23131.0711 35635.9763 7197.1343 51465.5846 15761.3924 61780.5032 16268.2402 11790.5575 15549.7444 11154.8294 9794.6193 28806.7443 20456.4165 13163.0745 25291.2353 17208.3885 28832.6246 28843.4476 16303.6056 27042.0425 35802.5644 6096.5677 20316.6167 30424.6108 44797.5911 846.5573 2995.6835 14592.7839 4364.4106 1033.1027 917.9480 3260.8758 3157.4788 2695.9414 559.6337 66078.6149 1414.0831 8125.6202 4964.4114 1399.6834 1341.9952 2654.1547 1628.0134 1969.2835 1901.8757 391.1798 7433.5553 7178.1416 6159.0848 4169.7658 835.0402 3855.6263 9176.5570 12782.8392 8826.2898 5623.7107 4696.6225 7536.5308 144.2625 1688.8902 3684.2407 3835.2854 4899.5908 5121.2986 8552.7241 2983.9665 6091.0921 676.0525 3795.5487 476.3539 3390.6995 1854.0020 916.9810 3433.2168 443.1833 9484.0502 1662.4036 6517.8915 8964.8542 2303.8257 12327.4008 153.3400 3068.5149 7560.2636 7219.3196 10724.4203 422.3144 5313.7157 552.1484 1109.6196 1430.0037 987.4556 D-Glucose 6-phosphate 16405.8525 34584.4318 10500.0649 101095.8765 18731.4235 52841.3609 19577.3609 34516.4449 6168.4405 106189.6817 129530.2210 4976.9165 12380.0415 286588.5314 8028.6492 202224.1493 34327.7043 6973.3406 33461.5589 32873.2297 18983.9105 34531.6666 91769.2352 12484.0968 215588.6838 56853.1542 78456.0114 71954.3773 43004.5030 4109.4492 26438.5085 67431.8399 98785.8119 41507.3809 64626.2907 157395.0521 29168.1803 10134.2682 25204.5439 17906.6484 507584.9459 45585.8825 21796.4232 19674.8913 209828.5163 454269.2338 191936.6692 5444.0254 21669.8021 35063.8397 79891.0455 71954.7747 81280.6083 94518.0105 56616.1838 37154.9363 5715.3055 104698.0489 11605.2703 23618.8762 13741.5227 3792.2690 16799.2620 19431.2465 25370.7554 23123.8583 11534.6913 2993.0121 34885.3536 10211.0807 11492.2312 46017.1106 416907.4292 69328.1493 24580.0589 13383.8776 603.9561 5067.4497 47019.0014 12565.0211 288498.4289 252118.8406 1803.8584 25819.2656 24215.2391 70337.9915 29972.6937 22799.7799 17830.9519 20611.6215 7589.1463 23247.0207 46046.1354 27995.3795 21276.0696 97026.1639 401000.7930 57346.8688 131300.2412 2128894.2510 221073.7782 171105.3289 37066.4881 18344.0884 49977.0222 150719.9363 21775.5197 82412.6751 26475.9807 272947.5690 145012.0205 102555.5942 77375.6850 940688.4331 77780.7437 38784.9767 52991.3157 26744.4162 89980.8803 12484.9082 46498.9664 11424.4379 10186.6754 32342.0644 31527.2439 16843.1056 87005.3648 21599.7886 8687.4064 9425.0681 14912.9887 3052.9483 11655.0295 12306.1886 12896.8001 90859.5109 76495.2075 44214.1191 23506.2583 51012.9201 14573.5395 204339.0289 45566.7346 3804.2588 50716.9821 30395.0723 9804.2056 62409.6088 244978.1266 19588.5237 59614.0987 49178.2382 53762.6763 12892.4742 26173.0323 23504.8481 51901.7770 14895.5822 21640.5854 194972.4610 118758.3971 1961.3422 11484.4049 17328.7207 7687.8824 8759.5842 15339.4531 30294.6395 22716.2019 16756.5111 15498.3771 34885.3536 25118.2221 18297.9569 36058.5989 43179.5436 78254.9444 18506.9047 6988.1863 314754.4097 48867.0733 3723.4563 25532.5154 21141.1370 86023.0530 980.4846 25616.5945 26940.8431 11128.4548 6118.9427 13987.2289 13563.2619 53297.3552 43894.7934 14141.0937 11652.5122 8383.2606 7760.7612 26106.1841 12607.0111 22715.8687 14968.1080 24379.6739 41183.4202 45173.0430 372.8354 3344.1483 14274.0068 7481.8980 31998.8875 28405.9290 35460.0348 21862.0637 146095.8823 25411.0237 33734.2744 49892.1390 28772.4941 12849.1815 40721.2259 72186.3446 34902.7412 17291.2203 41492.4173 8678.5977 16305.9234 7890.1453 9204.8439 DHAP 1473.3451 8946.3162 7325.9618 8694.3967 1684.0577 6756.4885 899.6181 7678.1366 2603.5834 3396.7067 1347.0617 1311.4254 18337.7697 3605.1101 20252.4424 299.0524 30006.2371 603.1952 29075.5756 19888.6973 1497.1901 3335.1408 307.0133 1370.7969 1499.9225 105.6148 2298.6401 1923.5514 19518.3816 10101.4775 495.4269 5340.4359 15652.5282 11502.3795 3429.3674 2583.3390 9188.0001 26141.3440 2457.9970 19666.2640 15748.0242 15580.7768 776.1267 16844.4804 1994.8855 19042.2867 5606.9074 7320.3064 1249.4916 11761.6907 3098.7312 3054.0199 2772.7500 1448.8764 3818.0296 8165.6621 12159.7987 17092.3279 5044.8899 22942.7920 6507.7973 600.8388 24658.3378 1850.1558 26458.7588 2183.1765 1842.9225 563.3160 1847.9062 334.8348 2289.9780 415.5974 1122.4149 1805.0469 457.4242 763.9188 9995.8446 6893.4680 2371.7158 1264.4741 943.9845 380.8350 11767.6129 8308.1014 731.1213 123.6435 903.2960 874.9644 5930.5591 4281.1352 3581.0175 5657.6717 4228.5291 280.6728 3410.6793 2052.1402 9223.9437 568.9512 2681.7522 428.9190 2019.7495 2550.5918 671.5122 474.9283 696.3126 5307.2457 5146.3444 26193.4717 1339.4030 2032.9336 2176.1024 3505.1325 2626.5674 1269.4110 1766.5796 1304.2890 2631.5174 2541.4621 33851.5192 1799.4775 4276.9739 3197.6686 6276.4979 27856.7819 7586.5092 2196.4137 33602.8849 3434.1372 741.6200 7038.1654 1314.7066 7590.4734 30.8845 1444.2070 2607.1631 9969.0087 726.7781 16285.8352 1855.2536 8521.7788 5311.6875 3564.2676 19513.6364 18571.6233 20649.6616 12937.0246 7852.9224 2896.9337 511.6271 2821.0991 715.1467 58.6248 3213.3284 12651.9074 10492.4645 2525.4665 4387.7582 8857.8503 3888.4038 6559.1823 6840.5214 15211.6810 1732.7146 7798.2161 7126.2034 6937.7197 7668.2921 7412.0176 1164.6712 141.2549 20231.1781 1847.9062 4328.0418 299.7845 3783.1369 191.0925 1595.2311 287.4406 4532.2520 8751.5864 271.8912 528.6619 6100.3657 14571.8178 816.2763 1993.4470 3385.9610 2161.9743 651.5444 1231.0788 14444.3166 2602.0805 4070.0797 158.7660 164.0325 4534.0527 13672.8448 638.2165 368.7217 491.9392 9667.0741 2425.1437 2804.7431 483.8210 1298.9438 210.1900 1276.1304 12374.1394 1394.8448 270.4122 731.2653 458.4019 3397.8732 1083.9209 9880.0189 8774.2175 1989.5731 3989.6750 1356.6710 9716.9938 274.5670 12054.0924 5131.8739 724.7866 4974.3399 9442.2772 13279.0863 3331.3597 Docosahexaenoic acid 7235.0885 3046.4367 48.6999 9581.7157 6182.9577 37392.2440 26266.0209 14417.3438 16748.5309 3205.8605 17610.9005 5118.9485 7239.8897 12176.3265 6261.0432 12549.7726 3930.8921 2801.6806 14538.7352 34538.0754 22548.5093 31813.0920 16507.2356 13136.2081 22457.7973 3253.5725 61703.7007 7072.9924 13470.4720 3169.1736 8075.0220 32439.8689 22002.8611 3164.3682 10811.7587 28662.1122 270.2944 8504.0956 37980.3714 9392.6665 289.6891 10307.6074 14965.9547 10706.0276 5849.3969 13612.9745 7141.0718 5699.9328 23248.3412 4212.9997 13158.0979 18897.6728 2961.7170 9237.3387 5549.2305 11214.2055 5626.7267 29583.9867 26955.2106 6894.9038 1477.3447 3072.3008 9625.4468 22366.2307 23737.8956 12643.1626 8983.6951 4569.6592 8217.4598 5952.1264 2994.2039 13801.6071 19541.9712 8324.7676 27470.5778 13707.0973 12467.9333 7301.9144 22298.8029 10356.5815 4570.4144 7309.2838 3899.7638 12083.8137 6347.6035 24961.2963 6823.5351 2058.3655 6204.7439 11000.1943 3742.3270 3814.2000 5014.9378 10420.7737 14225.1413 146.8869 22668.6938 10202.1218 8803.5652 12139.5037 7595.4908 9343.8951 5999.4703 5536.7758 7114.4121 2597.1564 68668.9195 12490.5621 28950.4049 5138.9196 11002.3286 12448.6830 5196.4693 17500.3279 28572.0761 17063.8544 21818.6550 6629.0734 21792.1133 23579.9820 17311.7790 7412.4943 20756.9058 17734.1649 5696.2578 4787.0423 6657.0546 4756.7230 7205.8082 138736.9184 304.7029 3122.9357 14203.3529 36998.4805 12442.1167 8699.6538 270.1656 13315.2750 7312.6178 14248.3692 3960.6856 42516.3762 13712.7381 9986.7217 8845.6719 25544.9551 11675.5655 9980.6086 7300.5032 630.9057 553.8353 4256.0483 100.8705 7485.8426 1291.5054 18931.7049 55974.9641 3422.0391 2616.9740 11126.0241 347.9003 8315.6147 2437.6918 8058.9093 3439.5204 2326.6281 1870.2316 30929.3973 85966.8437 3775.6091 17945.3499 8217.4598 17557.3452 4132.1917 19267.7174 31834.9952 6310.0881 41691.5292 107629.9675 61194.3960 16522.1991 6559.7179 41965.8227 47537.1378 11355.4122 4706.7908 4741.4467 57254.9188 6454.4593 18258.2742 30553.5553 2976.3872 7374.4974 4085.0075 8195.2396 2321.8452 23872.2598 7699.4213 12116.8171 3366.0646 33609.6536 38024.2368 7532.1799 18350.6410 19132.8921 11126.3927 6917.7826 9704.6674 90134.1759 15908.7795 5719.1435 21124.5586 65073.7692 5172.4985 13041.6457 85003.1261 65642.2357 11082.0153 13376.4895 22558.9288 26615.6021 12797.1254 14056.6265 7914.2084 32614.3626 50753.4542 7245.6189 9091.4182 Fumarate 20136.3347 15376.0840 7959.3193 2170.4960 8301.0727 1991.7986 1645.7361 2838.1448 11391.1279 860.3564 5376.1839 23808.6304 6781.5415 10982.7526 15527.9741 10721.9816 7181.4389 1368.6158 10110.2030 1536.8239 18859.7322 3550.4947 3181.6202 21311.2895 25645.0856 54661.2794 27660.5461 111786.5881 11214.0672 6413.2887 8394.7604 9857.7294 32326.3744 24628.9979 25574.1072 2566.9440 10934.8662 1480.4473 6890.4483 26049.1205 23099.3680 2154.5513 23172.3708 1569.8985 12040.4666 29207.4068 7377.6700 3249.0160 22301.6798 404.4165 17127.4279 17917.3955 27807.4602 7815.0694 23529.4710 28846.3444 2243.7974 1502.1936 2216.0718 962.8617 23665.1824 5159.8043 24471.5072 503.0657 11949.3712 12297.0208 792.6643 16709.6018 21335.3997 172.0030 4649.8209 28995.5833 27288.5728 13947.7953 12711.8816 6389.2165 8368.6663 5536.2824 13268.5518 597.6578 6731.7640 989.7604 5220.6645 6387.5290 22447.1214 7383.8352 9831.8637 7097.3874 3866.7417 2167.2590 4896.1002 15124.5750 1212.9169 14632.2047 11025.8654 734.7661 11137.5639 16247.3982 808.0761 16929.5410 4261.0925 20654.6802 35287.9397 10610.1030 1709.2708 6149.6372 1043.0248 48230.7732 1189.7800 25098.0484 18471.7456 16767.9681 322.0306 30467.6784 986.1675 1685.1079 9690.8833 1277.7909 65359.3100 39547.1996 7280.4546 1911.9940 5264.2384 20783.3956 13869.7265 19348.8754 38497.5521 407.4817 13659.0875 3602.2000 22439.3490 7753.7680 548.2362 13286.3611 31951.8469 781.8061 1455.9835 26187.7647 9138.9810 33213.2436 64413.9359 20591.9829 18829.8725 700.4080 46785.6014 26150.7869 2108.6400 21814.1476 39204.2065 809.2466 13882.2378 31079.0038 32970.5410 628.4055 18992.5035 9213.8366 57384.1732 1357.8822 20798.1371 21266.3020 900.2808 1722.7694 1539.5595 1874.5172 9155.6674 1420.2756 2708.1402 2671.8061 4099.5735 2225.7468 21335.3997 299.0774 259.3466 2160.6628 1247.6806 10780.2528 806.3826 895.4709 5113.9108 355.4173 573.9798 488.5375 15276.9695 3167.0187 274.4871 3310.4197 2125.4882 2457.4683 1003.5686 174274.0807 1042.2973 106.7459 6523.7854 659.0512 983.3976 1124.7490 778.1464 2092.6107 389.1806 1848.1807 1435.4635 1377.8676 1864.3111 269.1259 189.6402 1021.5657 1241.1594 589.6984 445.3076 1121.6542 649.5800 8204.0515 10400.3134 2536.9636 902.7254 4175.6535 1475.1657 1519.7899 661.5521 1283.1437 515.7226 746.0851 3068.6003 1403.8561 1652.0671 3388.2676 Gluconic acid 32778.5387 91389.9093 15473.9816 10025.8601 8960.7382 7263.1008 3524.4111 1319.9734 4010.5930 13302.7273 30226.6671 345004.1308 3749.6621 24735.7586 23550.2697 27408.8416 3027.4018 92368.0112 16849.9987 11531.9102 23785.8851 1743.8874 7086.4363 36799.1507 53538.0196 51825.8668 227568.1087 196874.9496 18218.4983 777.8316 236615.1694 70157.4261 15848.8201 48527.5512 206470.2603 54716.9558 19210.0600 1846.0247 140079.7042 39193.0977 72202.1211 18148.4951 44267.9579 1091.9871 58981.6287 66690.0267 4706.9089 2707.3419 33495.5564 8214.8736 11847.1896 18752.6334 60520.5977 32083.8649 106979.3337 69319.7555 25714.2971 12523.5567 8476.6195 9961.0964 20615.1854 8788.0567 11865.6747 5327.2686 3156.4712 32718.3624 2136.1382 23852.2158 20692.0377 4485.0739 47692.2741 49614.1533 60368.2373 15581.6595 9186.5030 6856.2778 3139.9917 6421.1872 8748.9303 12877.4740 18453.7014 25087.7087 4326.1215 8647.1665 9481.8796 127829.5321 3467.8817 3655.9974 10732.9463 2585.0178 20060.2644 49414.6839 17069.5670 29426.5959 18054.0841 10337.3874 214613.8578 89477.0427 71416.7026 71150.3954 110811.2469 45008.6869 16310.0644 54822.7248 59903.2426 10545.9559 6833.2429 32439.2246 12621.8747 37706.7417 17176.2072 20149.9201 2941.1490 21365.0200 12639.4152 131602.8276 4954.4207 276307.0784 57671.5641 14196.5072 18345.5829 6739.6303 10602.9215 45793.8427 25854.6576 7076.7733 92568.0103 4987.7756 10506.4328 2261.3752 22324.2543 1694.0289 17163.5333 10005.6392 18779.5246 80945.3268 46264.4921 33627.1234 755.5636 57445.7430 24462.2869 87350.2171 19810.9186 3120.7158 56949.2612 14296.2649 20285.2873 30093.1476 116263.2920 22054.6935 66278.4945 130173.6880 112589.8303 3398.4230 44170.6370 51245.1647 90568.3720 11860.7402 76295.3422 34118.7576 34219.3754 223.1181 2242.4057 12036.3508 2856.6680 2840.5941 3553.6376 3340.0621 667.0502 3992.8925 2618.7251 20692.0377 56161.0339 6531.4478 93942.0050 1364.8946 5776.0079 4814.9532 3930.8971 10534.8602 8584.9480 2730.7892 40986.1011 11386.6985 66676.6401 2265.8508 5041.9990 15358.3193 9587.0654 29256.8897 16322.8814 4208.5244 3626.0015 109139.8388 2988.9890 1409.2717 4672.5578 196.9321 13184.2230 50703.5856 25121.4103 5612.8511 9936.8951 9911.4534 8274.1002 201.2777 4774.5796 2394.4269 2002.0393 3324.7299 3276.9995 35628.5738 24569.4335 63878.0777 8306.8563 10599.5752 3910.0526 2268.2485 6884.7703 6360.1477 17429.1383 6744.6485 2383.5582 20007.9347 2467.8178 3542.3782 5832.7435 3657.3432 Glucose 12532.3982 48160.2629 16704.6801 38744.7536 18812.9600 23548.3124 46758.4168 11553.4837 52021.7108 26424.6471 15100.4059 23999.6412 28345.3243 23079.1836 59954.8670 28445.7784 24671.8542 7148.8232 86225.5089 36860.6744 28237.9107 21917.6155 16099.2245 44490.2558 45937.0922 59820.3159 392218.4315 63776.3259 30238.0568 6644.8782 42440.3382 17114.9135 8831.7601 15917.8941 17398.1807 27130.6362 24473.4640 15709.8287 6791.0921 30846.6990 14987.8515 189192.0840 25452.1338 25647.2015 24478.3127 37696.9145 33778.1071 27208.5359 16450.9106 10999.7996 47310.7928 19496.2723 27106.5327 34121.2934 63608.1941 15071.3096 30508.6835 13292.7510 8050.3103 3523.9358 29713.5576 25613.7394 25277.7275 18469.4284 10737.0970 28258.0923 9209.7564 18848.9279 54312.4887 6730.5170 24480.5359 21855.9117 44928.3460 68932.9803 10670.7988 20539.5731 22210.1604 40891.1648 27398.0660 53648.0695 21120.4336 46914.7685 19351.0215 38591.3764 27743.0308 74524.7321 26735.7488 123831.6068 39202.9795 20157.8442 37977.0435 81493.6025 17052.2258 33814.9116 12492.6102 34181.2177 30472.5610 33170.6119 39530.7120 33019.2301 32236.4143 17025.5565 28854.9229 15650.8247 26950.1900 13004.4041 27199.5433 12460.2183 25819.8090 11693.8323 17620.5413 19813.1681 22591.8429 17921.1351 34880.9907 55645.5391 30081.1449 22079.1788 558824.7510 53576.9795 68807.7855 62309.3631 22403.6707 300196.3429 18206.9851 7269.6165 24186.3714 23845.3328 9523.3556 9937.8660 22115.8054 8842.1823 11600.2489 28296.5466 8920.6915 35545.7251 24289.8342 32292.6856 7723.5276 69010.7914 13057.2197 48946.3031 15920.9312 10850.9156 13536.0566 8989.1010 11678.0216 23512.2961 12721.4377 21608.8034 15578.1028 13952.4793 27686.3801 28225.5413 15012.7420 24416.7107 41540.4729 6212.5428 11747.5183 32260.8318 40967.5641 530.6652 887.8620 15794.6644 2849.0063 173.9453 153.7019 1286.0423 1662.4326 990.3208 1889.8294 54312.4887 3479.5808 4150.2357 10096.9416 453.0503 1740.7351 2835.3949 3571.6260 6181.5966 1822.8353 524.7640 4419.0726 2426.6389 7963.1217 1254.4704 2126.8008 3432.4136 4411.6401 5074.9874 6419.7830 2297.4668 4083.7561 45404.3723 1777.2440 2488.9099 310.2376 732.1908 4152.5921 8301.6199 7564.0881 858.9963 4136.1168 1484.1939 2523.2439 111.6771 94.2074 1373.9609 200.1276 912.8882 1901.5772 40496.7160 2115.1594 6684.9255 8577.4675 1822.3593 10002.6666 1672.0426 2407.1645 5161.7416 7689.7852 7311.5035 2107.8348 4633.8996 510.7587 2195.1752 1591.9240 1979.4183 Glutaric acid 599561.3104 450060.8917 16320.2553 147174.8348 137516.2990 370712.3115 102388.2330 177753.2559 33291.3438 26180.8774 19389.7269 85127.6341 340271.4337 244642.6148 909728.3446 25601.4316 599852.7915 55827.8908 212789.1903 245001.6055 94523.3184 110944.5182 41192.6406 350432.8615 92066.8421 22584.0264 161203.1292 133741.3518 194432.5341 724508.6290 85915.4108 247815.8423 168343.5132 44293.4279 52330.7011 208981.7384 239469.7343 329790.0485 202844.3573 307702.1077 59221.6812 194172.7811 14155.3793 121857.5136 36281.2830 162489.3546 145727.1169 498897.2670 119959.5882 525383.0394 85507.0309 49660.7260 110240.1316 62809.9490 52427.7234 17436.0031 360877.8379 18362.8200 91175.4086 251119.7999 183468.3424 790281.4304 198136.2160 231995.9062 121740.0473 153627.0491 42711.9163 167226.7043 115098.0227 86644.7238 874773.1754 132875.3915 18477.0692 81170.9436 22974.7935 270273.7027 680305.8723 620160.3735 81159.7442 104944.0824 30432.1077 28545.2261 475250.6640 553935.5696 94983.0353 99272.0512 79827.0269 62153.3787 217997.4960 995122.4070 425891.5795 284813.2290 58608.8167 50938.8532 743196.2266 313759.5750 40042.0664 35161.6268 242589.7210 11117.5284 110750.2736 58371.3926 157815.3776 67991.3224 43439.4182 43890.3773 82084.8155 407048.0103 315191.5790 25215.1178 126056.5124 38836.3843 241539.0400 9924.0960 79661.5889 79738.7020 80782.4307 167197.0241 106475.7206 268048.6478 114856.6824 447564.1102 263044.4611 246318.3815 506320.5086 84791.7976 450789.8466 99023.3312 33825.0409 114365.2413 120606.2897 131866.9834 18955.5710 308211.8121 238018.7745 82028.5235 101045.6286 125307.5781 162140.6585 40034.5223 308424.4771 140995.2254 165300.0540 661898.8067 81494.7251 120361.8890 313043.2014 37268.4637 11838.8438 818296.6829 538.7795 250.6730 54815.9964 251903.2544 186583.8549 80115.9744 194472.1252 473737.8859 84081.2627 168952.1017 278493.0092 148916.8394 334480.8059 688490.8797 283494.1984 584642.5297 293151.0979 94338.0049 62132.3222 57227.1207 203294.1482 115098.0227 27341.2448 471047.8324 56536.3238 256354.3585 21531.7640 29518.7585 62986.5177 26091.7053 53586.6938 140093.0217 158526.5650 71616.6457 22333.3472 75187.4677 698787.7995 33858.7724 56860.8453 210343.1791 18103.2445 23179.6698 347932.9331 3003.6328 61506.1964 412482.9335 79180.8220 77309.5824 24385.4840 66120.9684 17051.3210 112605.7570 32837.0035 51398.0136 119012.4224 315502.9230 58872.9024 337585.9342 63330.3730 43584.1415 78547.7841 22022.7255 51399.6102 3814.6346 481965.1154 35411.0531 223388.5320 113865.1296 182141.7303 353136.0072 100447.8480 229935.0212 93980.1938 27592.0911 68790.4166 75968.4584 66764.6600 247858.6617 Glycochenodeoxycholic acid 4282.7943 1738.8047 2296.6110 2351.8265 10487.7806 69174.3877 3566.8669 1309.0927 49338.9466 2657.0578 2837.5670 14028.8237 53445.1782 86798.1044 2416.6082 25153.0318 1030.4979 10337.5086 1073.4400 2454.9525 918.0849 25628.7693 11299.8255 56196.4091 4244.4224 197.8809 2371.7099 2508.7239 4479.3302 420.5350 978.7360 3056.3364 1925.4736 850.9988 8469.2179 2934.0026 1516.8867 2100.4824 1375.0567 1128.7536 1481.1153 657.6877 1917.1071 1362.7523 3963.9063 273.5924 635.9284 159.7943 5962.8058 112.1073 284115.9277 11544.5285 7211.9626 104217.6423 196172.9579 16795.0206 364.9520 4891.7440 3262.5559 388.4600 41631.4573 810.3694 985.1512 13259.8350 2285.3369 100100.4539 36127.4465 1000.9340 2046.2331 3029.7551 479.6422 83424.6160 638.3651 38993.9952 30673.9099 1370.1075 4149.2794 52287.4786 29133.6758 25892.7880 16769.1435 3610.9405 1429.2896 1765.4828 869.0146 48041.1432 21986.1113 594.5711 7482.6900 9726.7517 888.7374 180555.3730 1417.7245 1586.0229 120.7488 138.3561 13740.2618 4004.6905 2077.8374 12308.3176 712.2834 1078.8465 2074.5968 704.4990 2977.2015 2506.0432 697.4595 728.4882 2016.8387 294.9782 12536.4461 1825.1600 316.9366 12043.0120 263.9672 6651.1180 1478.9376 4271.8380 530.8166 426.4688 6716.3584 3030.7007 5271.7565 2210.8639 685.6195 587.8327 18907.3736 227662.6899 1514.6180 1808.4160 11915.9882 2193.6863 1503.4091 1688.7433 703.8181 507.0344 38862.2526 1794.5655 399.8341 28380.7237 260.0119 940.7163 30396.4721 2374.7239 1247.4431 352.5021 572.0233 36208.2792 18446.8017 1804.7787 26561.3214 7402.1682 45808.3425 966.9265 349.0711 198274.6041 2268.6912 121.8778 2087.6762 1042.4472 1063.7549 397.2029 188.4360 5937.6602 1188.8135 340.2583 58.9220 720.7477 1150.0787 602.4119 1993.0163 2046.2331 754.2231 1796.0225 33418.0658 1639.9374 11949.8994 627.2956 2939.1516 10485.6607 7489.5781 4048.1088 81.5950 279.7438 48297.6952 2000.0338 4907.4354 429.6853 1763.9100 3476.8454 1165.7259 2559.4333 348.5031 123303.6194 1181.5015 438.6258 322.2400 263.9269 525.5884 3345.9425 70431.3165 572.9912 479.4795 2177.1292 1941.5157 985.8499 1121.4101 1303.3023 15074.0797 5637.7357 780.7190 19226.3573 10809.3076 400847.8708 496.0715 3631.0735 1412.6963 192756.6069 705.6612 8433.0204 9690.1156 818.9295 451.9497 2828.4222 2300.5154 3835.1974 1194.4602 728.1585 Glycocholic acid 3294.9143 36954.1677 13750.8166 5718.7025 86956.1629 618099.1010 21379.7430 3861.3978 231278.2030 15387.6417 7931.3734 185429.0637 420703.4429 709521.8882 7216.8098 172185.2875 3171.0194 44327.0871 4581.0074 8038.9150 6041.6728 114881.1214 41392.3661 346774.1927 42774.7408 18726.2132 8096.1809 38078.0069 5192.1164 999.8869 3252.7174 2769.4486 5348.3269 10485.0604 8252.1255 10622.2035 9944.6910 8291.8380 6423.3882 3476.8620 25543.2912 2181.9888 6551.3876 6111.5935 16262.5805 1205.3566 5188.8781 2517.4204 34821.4199 1991.0459 2201774.0550 42417.1669 38511.4041 767985.7497 953590.1953 152962.1016 1205.8506 24219.9768 22503.9032 963.0749 431284.7675 26949.5138 4042.5137 87370.3867 9597.7157 204259.6958 469101.8895 5595.8202 14077.9224 2422.5640 2434.6611 52300.3506 6065.6661 231933.3765 180161.8618 4722.3651 43971.5127 342771.0262 197251.5491 147488.7940 85636.8054 18283.4025 12441.4653 6387.6728 6937.0577 375556.2070 320723.5768 2335.8302 41117.6875 46132.0076 2311.2602 864717.8327 11323.7219 10872.6421 297.7928 3060.8247 10735.5694 6535.3953 5083.0512 61842.5738 6086.3581 2071.2875 11035.8508 2611.0260 38725.2226 18682.8631 7146.3187 2302.0973 12325.4260 8875.2398 28914.6370 6275.4425 2448.3194 76695.5217 5763.8987 31340.4416 6013.9185 412.7047 4380.2699 2864.7337 13734.9188 4667.1515 18555.7895 15025.7563 1528.3867 2447.9636 279109.0966 2218836.8960 5652.3583 5826.6471 11085.9621 27567.4344 8706.4175 3259.6687 1662.9577 3895.6529 57351.2203 4359.7799 1356.1146 114110.1247 1399.2666 3445.3524 164114.7782 7526.8486 3613.4458 3615.6135 1580.4217 70712.6047 150680.2446 4004.9697 11861.7708 25464.9472 27540.6610 2192.7406 1737.4188 1025127.3680 14017.5163 571.6121 11940.5911 6966.7902 1071.4498 5963.2543 4366.8513 27013.1223 8141.6283 1528.3445 350.6779 1232.9854 7660.1385 5907.7990 57780.6917 14077.9224 8101.4610 3594.5693 246976.2963 4061.8183 32094.7603 2960.2178 32115.2589 19390.9204 55141.5111 26580.6807 9127.3237 2097.8800 334087.0277 15328.9367 36867.2448 14912.6718 83069.0005 15991.2427 11045.2835 34140.1295 834.7398 1000148.6950 11936.9945 2499.7881 4438.1097 6855.3561 11338.9292 10727.2273 529043.1354 10581.3601 6236.5755 10309.7515 12114.2182 7973.3344 8636.4386 2164.2973 130965.2703 30075.4248 8080.6404 89499.2048 71469.0762 2375704.0240 1218.9947 25787.9504 3833.7790 1791718.2670 2085.9317 38691.5914 22266.9332 5408.8229 1645.5248 9734.9735 16197.5608 27027.5403 13829.0989 23385.1741 Isocitric acid 216392.0288 286327.3975 127703.7336 39315.9685 78447.6193 43880.3007 10704.4270 20283.7722 21243.1088 6899.2722 46686.0449 363709.0806 63572.7432 206086.2880 217361.2767 259157.5380 16485.9531 465308.2108 77014.3513 19726.5831 134158.2849 6605.3033 16455.7416 182339.8114 153998.5461 166631.3018 172374.4391 207062.5572 31120.8178 32005.2273 52663.5708 176707.1376 157463.0912 79778.0384 296135.1950 60704.8064 41155.4646 18061.6790 25534.7814 172144.5408 429083.6977 28779.1276 15121.6640 35653.5873 56582.4356 239442.6966 62487.4258 14554.9895 63304.3133 72478.8975 24783.2313 29649.1514 54182.6440 63459.9714 572716.4014 238894.7134 159612.6417 149060.5849 9584.3787 663121.2869 141886.0526 43494.6484 84199.4858 3315.7864 46734.8239 197441.5829 5655.4630 246130.4764 141282.1229 40792.6717 340176.9983 234765.5363 84100.1644 72359.0010 22459.7745 36212.2873 161305.9168 39471.4411 28273.1379 71562.5213 135346.3357 84420.8900 11980.4863 97577.6704 394273.8431 167750.5822 11679.9904 19963.9908 8625.9613 1217.9235 37677.7270 175084.5938 92336.9483 142147.4197 11788.1203 42539.1883 150697.1168 387645.3563 28822.3703 251987.0302 126205.3549 235501.0997 222840.0257 197085.9356 202333.2796 118267.6030 52909.9368 293817.4603 21707.9096 972248.9185 345446.3430 81272.3378 552.0161 333519.4125 12226.8993 45137.2074 14056.4538 95965.9039 239207.1867 4759.6881 21909.3561 41050.3398 42890.2055 292218.2085 72306.8137 17416.2914 453965.6494 8817.9932 145956.3988 22280.5922 67228.3087 23659.6270 38684.4181 19801.3668 425623.3234 111419.2347 547174.6729 202425.4554 28539.5316 471089.0781 724064.1434 281470.4273 315787.4302 41093.2982 1150914.5960 95941.4947 267266.6001 400879.6201 1565700.8780 143463.1833 338380.5484 3092866.4360 816691.5913 14909.6321 267032.2075 94703.1580 694052.7904 124422.0017 1908302.7020 772781.0571 177732.4256 65169.5143 26986.9665 74451.4455 25538.8535 10241.3890 1592.6571 55021.7927 7017.0783 332454.9267 19949.2474 141282.1229 40456.3051 13438.0074 18941.3207 4996.9614 44173.8935 18906.4438 5083.1153 8023.4144 15058.6434 10933.9407 11484.0038 33451.0241 6758.8594 14401.0136 27326.7986 12111.7639 3162.3581 430837.0100 7906.1582 40096.0509 21840.6018 223716.0640 213145.3564 34479.4089 68181.3768 6977.1660 22793.5998 59798.6804 47083.5923 12729.9543 12550.3913 16531.5791 9645.0611 20236.3648 36959.7141 15022.4533 132269.1507 17671.8269 15312.0514 18636.5028 19535.3577 112956.1495 13797.8132 5090.5821 9640.9658 24478.7292 23175.4025 51962.7022 51964.6138 8627.8752 12487.6688 12449.5489 17593.1726 33766.3287 31697.8487 31339.7018 Lithocholic acid 33679.6820 18487.5030 20096.0120 42263.7270 4662.8900 4379.6900 49724.9000 75666.1080 62415.9900 12212.4970 1466.1770 53864.9920 195213.9250 27617.1860 8725.1040 47090.6570 11123.4320 11521.5110 147453.4750 95244.5040 179518.1400 68892.9090 18163.4070 27309.9880 14467.4380 166172.1470 16790.4560 16896.5350 61108.1440 98637.2470 103587.5400 64664.0430 58638.7110 14469.4760 3795.4820 24861.7760 69389.3010 46694.6110 67738.6860 85444.3170 6818.2320 177288.0830 19739.2430 50279.3150 30787.7700 81929.8070 12824.4020 49937.7460 8621.6510 29144.1960 20572.6580 3061.4490 19712.8790 31889.2670 9572.7820 9618.6290 50882.4490 10996.2060 65826.1480 4745.1390 38230.9500 3436.9890 24604.9930 122484.6800 26629.1580 51721.6700 5815.5910 72330.7960 4500.3130 39215.1190 65369.3870 7260.4990 2464.9880 9916.7400 7910.7520 16869.8280 18196.3800 7263.4040 3584.5860 34578.9510 6092.8420 4629.4330 144649.9550 118304.7280 17503.8680 57296.8350 14089.2380 23110.1700 81301.1570 124997.7950 390991.8580 86425.3930 17839.4790 11326.3630 119408.5260 18864.5620 32747.8870 66098.2290 46447.7350 7927.2040 43252.7030 137079.1570 60364.4150 59899.6690 5600.2840 2994.6390 36414.7240 36261.2990 40386.8570 6029.0490 40413.3350 63531.1140 79098.1260 1267435.9780 22634.7070 10717.2150 9476.7120 23805.0480 4137.1710 24972.4360 106252.3760 118528.6120 91115.2700 53005.9260 17742.0060 24889.6230 83953.9620 34998.6490 16140.3290 90841.0320 16085.6950 33776.1450 4774.5300 63249.5330 67299.6600 13493.3560 5514.1280 4643.4810 40810.3700 10498.6290 28583.4440 25818.0660 18147.3080 64827.6000 151752.3040 34528.4510 19870.9570 5436.8220 3080.3900 257539.5580 2037.1640 1537.6050 2879.7960 59247.6820 6867.2830 7712.4790 16354.9610 154295.5560 7595.6320 11747.6990 27978.0430 99986.1590 189793.2060 132681.9810 343938.4140 5000.7110 31729.4760 6695.2310 112287.9220 12724.8610 21980.1140 4500.3130 8116.6980 262632.5190 28311.2360 37378.7870 5724.1430 41824.3670 134196.7960 15955.3160 5962.4860 100654.3480 44783.3000 6690.5870 4684.7330 101389.4700 246921.8720 2889.8670 16328.0110 43138.7030 1744.3900 2394.2020 21968.4410 3265.9040 28296.7000 383965.9380 120198.1060 99708.7740 3115.9300 3840.3430 9365.2810 164549.0990 23912.8070 14219.0140 18195.5670 182281.1390 16999.6730 150110.9460 43427.8000 4789.0250 13976.2550 14971.9920 1566.0280 4407.3940 35793.2720 5836.0000 48940.8170 17560.2900 13644.4250 183176.5220 18905.1510 144501.6960 10899.7700 3599.9620 65359.8320 9981.0400 55559.8270 284447.7290 L-Lactate 5908.5798 3746.6862 12703.5511 7420.4603 862.6035 29217.5931 9170.3378 10314.7719 10822.9213 32136.9618 5077.5238 6826.7470 7031.3362 22407.4117 4269.1033 43321.3959 3812.3566 1635.8738 52425.0900 6332.7579 39408.5621 13141.8333 26590.1032 28025.2875 6003.6005 12650.8242 1604198.7360 469315.1226 564.7570 40308.0129 6119.3018 7739.1045 4667.4108 749.0640 7983.4507 4978.7304 404.8801 8217.9371 11297.2953 8801.3555 1008551.0250 11552.6529 24836.7038 33320.4895 112471.8487 39955.1934 3926.6297 20045.6723 3151.1497 8785.3000 66115.2554 7531.7509 11550.5405 22409.7731 62257.6885 55293.2789 23982.0910 6859.5284 15856.7946 213686.5995 2694.4331 9142.5576 7462.8780 14184.9587 912.5608 8134.4329 17548.7544 18579.9480 4530.1413 15565.0376 14720.6732 6814.3682 296493.7528 55843.3425 7238.0955 4910.9731 4985.3516 14715.6559 30753.0220 32337.0762 66026.9059 15607.1871 1834.5549 19527.2773 21485.6470 9786.4900 15709.6226 17522.0894 346.4474 18286.8774 5347.5618 6887.3541 14981.0539 10189.4749 7071.0601 7164.2821 88839.1799 18530.0998 6978.3693 116058.0786 6225.0750 1118.4855 9600.4026 3172.0304 2324.6541 66297.9833 8722.4411 668564.4008 8192.2932 830478.5355 3375.1561 65087.1215 11438.3780 52920.4067 10964.2652 19253.4253 14995.2902 912.5851 2105512.7650 3238.4492 10992.6463 29367.4580 14748.0865 1122236.0270 6353.7504 2499.4365 12586.8505 3623.3074 2963.5591 7767.3004 8673.3226 9355.9563 28225.0377 499.3793 11358.1786 3454.8980 30151.6813 12776.2917 2781.7926 7927.5565 7689.5067 8430.4267 22198.3235 11581.5122 19149.6609 2250.6410 20957.9265 6176.2282 58678.7984 6850.7978 35116.6753 67965.0710 12214.3367 2219.9960 4251.9188 53909.3138 54515.1526 8946.9299 21284.9613 9604.1031 8167.1403 3766.5736 4360.8088 30535.1523 10093.4788 3474.0116 8770.0303 22501.4097 86028.9250 10024.3848 21449.5058 4530.1413 10027.8382 12212.5203 1390.9142 11350.5713 35852.6390 14166.9524 7550.8182 95103.6320 33956.3303 8275.2599 21151.4483 2227.7585 161434.0234 8443.1372 14113.3171 6783.6399 1926.7669 40746.8048 30628.5867 21032.1271 5790.3367 208073.2336 5102.5288 7026.5787 44773.9044 6265.6111 7554.1129 10205.3739 22749.8426 11225.7171 46142.3986 102969.5870 23743.2196 6467.3753 16220.9976 8149.0236 16295.5420 11752.9145 17413.3759 13987.1028 16110.9305 142277.7533 26344.9542 87882.4321 12347.2291 23820.1015 8163.8272 30509.8532 26868.1340 15001.9677 8841.2619 16140.0215 8055.2729 20796.6686 934.8323 7168.7357 Maleic acid 20136.3347 15376.0840 7959.3193 2170.4960 8301.0727 1991.7986 1645.7361 2838.1448 11391.1279 860.3564 5376.1839 23808.6304 6781.5415 10982.7526 15527.9741 10721.9816 7181.4389 1368.6158 10110.2030 1536.8239 18859.7322 3550.4947 3181.6202 21311.2895 25645.0856 54661.2794 27660.5461 111786.5881 11214.0672 6413.2887 8394.7604 9857.7294 32326.3744 24628.9979 25574.1072 2566.9440 10934.8662 1480.4473 6890.4483 26049.1205 23099.3680 2154.5513 23172.3708 1569.8985 12040.4666 29207.4068 7377.6700 3249.0160 22301.6798 404.4165 17127.4279 17917.3955 27807.4602 7815.0694 23529.4710 28846.3444 2243.7974 1502.1936 2216.0718 962.8617 23665.1824 5159.8043 24471.5072 503.0657 11949.3712 12297.0208 792.6643 16709.6018 21335.3997 172.0030 4649.8209 28995.5833 27288.5728 13947.7953 12711.8816 6389.2165 8368.6663 5536.2824 13268.5518 597.6578 6731.7640 989.7604 5220.6645 6387.5290 22447.1214 7383.8352 9831.8637 7097.3874 3866.7417 2167.2590 4896.1002 15124.5750 1212.9169 14632.2047 11025.8654 734.7661 11137.5639 16247.3982 808.0761 16929.5410 4261.0925 20654.6802 35287.9397 10610.1030 1709.2708 6149.6372 1043.0248 48230.7732 1189.7800 25098.0484 18471.7456 16767.9681 322.0306 30467.6784 986.1675 1685.1079 9690.8833 1277.7909 65359.3100 39547.1996 7280.4546 1911.9940 5264.2384 20783.3956 13869.7265 19348.8754 38497.5521 407.4817 13659.0875 3602.2000 22439.3490 7753.7680 548.2362 13286.3611 31951.8469 781.8061 1455.9835 26187.7647 9138.9810 33213.2436 64413.9359 20591.9829 18829.8725 700.4080 46785.6014 26150.7869 2108.6400 21814.1476 39204.2065 809.2466 13882.2378 31079.0038 32970.5410 628.4055 18992.5035 9213.8366 57384.1732 1357.8822 20798.1371 21266.3020 900.2808 1722.7694 1539.5595 1874.5172 9155.6674 1420.2756 2708.1402 2671.8061 4099.5735 2225.7468 21335.3997 299.0774 259.3466 2160.6628 1247.6806 10780.2528 806.3826 895.4709 5113.9108 355.4173 573.9798 488.5375 15276.9695 3167.0187 274.4871 3310.4197 2125.4882 2457.4683 1003.5686 174274.0807 1042.2973 106.7459 6523.7854 659.0512 983.3976 1124.7490 778.1464 2092.6107 389.1806 1848.1807 1435.4635 1377.8676 1864.3111 269.1259 189.6402 1021.5657 1241.1594 589.6984 445.3076 1121.6542 649.5800 8204.0515 10400.3134 2536.9636 902.7254 4175.6535 1475.1657 1519.7899 661.5521 1283.1437 515.7226 746.0851 3068.6003 1403.8561 1652.0671 3388.2676 Malic acid 1674068.8130 1136053.5270 520980.9220 442832.6020 965644.5370 273218.3030 95394.3380 496885.8720 679389.8710 82666.0200 246397.8010 499732.2520 725113.8250 729004.3410 841902.6150 582966.8220 424301.0100 135652.9230 1665873.6600 612015.6890 1879843.8030 525981.5810 124819.1100 1276990.6570 2027611.3080 2942605.5550 3848571.4670 1628535.3350 747070.0050 447422.4940 552194.9530 1991217.5930 1789934.0230 659075.7990 1392111.6100 407557.1700 675725.1790 591449.0220 415850.4500 2321500.4350 742733.0020 128876.3600 1291411.8530 48758.3330 458188.0270 1931488.9710 361609.9100 57900.3730 1368673.1560 117742.4350 695623.6660 1208996.1690 2301466.7700 1119254.4240 883805.0610 702467.2810 356017.9330 289132.5300 560569.2840 321279.5250 2577156.3680 79083.9570 928667.6900 95543.4260 330165.7350 547326.9020 400763.8460 1450678.4080 1253125.6020 154479.6670 635971.7110 1441369.6180 1093331.8710 580107.5030 164560.4470 516733.4650 378583.7660 224431.0070 826296.9590 201019.3910 262052.9190 559699.5820 115797.8790 853562.9220 1099399.6230 451653.1560 450162.3470 718549.3120 547611.4780 23482.6920 204662.6650 1593171.5610 1768374.2750 827210.6890 345622.4690 331413.5620 347598.1820 533464.4840 394667.6840 860859.8230 416042.6880 1532646.4510 2813494.4380 921474.2550 557297.4770 412310.0540 966194.2960 2362815.1520 1120589.7200 1030358.8390 1868320.4600 1411691.3810 75331.0070 718152.3500 435978.6370 91045.4390 948753.3970 532932.2450 1201586.3360 470788.8220 467237.3720 123889.8780 464153.9750 1793518.5030 736354.9660 738509.5580 1426783.6420 282467.9440 670766.5570 255936.5030 944945.8920 458081.5030 221257.3020 576598.9000 2420451.8710 872869.2710 888055.5490 1675224.9410 345800.6390 1166610.2550 2488072.5420 2332962.2630 1541640.7210 155933.6020 2291681.1430 1371920.7580 1246634.0440 1192094.7260 2382625.8310 707188.7690 580151.8430 1146545.4600 1111644.1830 62811.1220 1239701.7940 572104.5860 3634378.5230 450707.5360 969198.7480 2046122.3770 1525652.2220 6419.0730 14366.3660 79926.5220 41242.9730 6187.8060 27105.8410 18419.5340 5928.3870 27993.0760 17143.0990 1253125.6020 9126.8580 23308.5720 40777.5260 4576.0010 188930.0470 9521.4350 4072.5570 31976.7290 4600.2010 7918.0240 19740.3420 182249.8680 29775.6520 4285.2630 46124.3770 37109.6740 27301.3490 19733.0090 138722.4540 17770.4890 25724.4490 40470.9990 6744.5520 29664.0720 12216.7770 4057.6800 5225.1430 64166.5910 141769.1390 8800.3260 3994.9570 4287.7780 13465.9170 1538.6070 6416.7380 10331.7270 3911.4930 5441.8010 11390.1140 48092.9570 71310.7620 38360.8680 18790.6080 8462.2350 25320.0110 13177.2780 12016.6440 4132.1410 19778.9720 14274.4450 6720.2840 25609.1060 39459.3960 3989.7380 2450.1480 13519.2560 Malonic acid 41876.4320 59803.2739 106267.9192 6910.0448 7260.5949 37511.2452 10713.5987 8891.2665 13744.8650 38010.7653 41380.5009 10214.2041 13785.3413 40394.6969 1247.1644 1564.9107 15434.5757 60262.6848 9245.9258 1585.2392 41335.3572 3617.6288 6847.8896 22975.7186 982.9231 3019.9276 21799.7259 6731.9313 371.3158 18391.5063 19499.0785 4081.7433 7557.6683 3323.9167 5160.0087 51755.4880 3659.6569 20777.3922 3256.4904 10802.6088 45259.2059 2485.5839 1429.7606 895.8448 9200.8719 5999.9507 18154.3690 4462.4847 10204.3113 2691.6366 20090.0103 37426.3994 8927.5394 5084.5104 27118.9270 29777.3052 18060.7429 5287.9972 16401.9855 23666.0550 5093.4763 7471.8497 1229.0541 1721.2688 4286.9161 16445.8019 16727.2827 44312.1707 45186.5247 3758.1430 11824.2797 16653.8821 414.8766 3519.2506 33104.3132 14805.6140 18643.5991 33144.4275 5361.8610 4163.5416 9957.4474 1040.5022 28501.9826 10015.7974 61266.2848 85164.4315 7870.8532 36573.2232 50821.7726 3717.6801 36026.3073 83577.5919 2459.8748 12659.4692 11071.8760 6614.4038 6169.3933 14044.5024 16432.8917 13526.5387 16496.6089 19739.9594 595.3792 13226.1460 7437.5102 7714.8484 735.8459 26985.1521 28526.6032 10511.8419 1006.3259 11154.6328 20909.2895 162171.4847 26160.3354 46528.1404 23940.2929 2752.8944 5514.1230 32966.6240 20051.6223 4898.9611 2574.1104 2102.6343 7567.7509 3430.6797 5014.4937 8868.5715 7604.8453 1967.1519 1245.6992 3747.3996 10241.6431 8588.5840 13139.5785 71799.3952 40860.7763 8558.6786 29990.9664 11927.7266 2964.2236 34835.0728 14399.8763 825.7444 6935.5375 549.6828 30280.0811 1900.0057 2800.9734 293281.7095 67461.0954 130396.5485 138885.5927 20611.1164 19882.9968 9687.8538 1731.8663 2157.5143 22307.2459 16092.9736 13195.5416 4647.6521 8417.2435 132242.5421 8417.5418 7536.5155 2337.2743 17211.5417 6021.6490 4421.5988 30149.9014 45186.5247 84858.4213 30850.1955 52491.5357 13035.3039 4355.7202 19946.5970 14837.3900 87973.5055 27016.1841 3047.6028 7140.6290 97442.5019 22399.9160 16454.5275 12326.2252 11929.4755 73878.2376 11970.2603 30801.5655 2105.2525 22083.9561 2288.2517 9079.3917 11495.1058 4744.1768 5131.3768 65790.5707 366.3322 16928.5798 2484.4585 64905.3208 19644.9530 6532.4430 1780.1598 14997.4294 6994.1760 3275.3058 15521.9266 8880.8990 5076.3385 29428.5495 7572.5074 19004.1354 26304.9169 72050.2883 9169.4157 39301.1886 48217.8374 14650.3105 6730.3480 42334.1369 50595.0960 6998.9636 13247.1245 3313.1347 7019.8065 Methylmalonic acid 27502.8490 19373.2080 158533.1780 1748356.5040 69375.2880 6303013.3920 8012179.7690 325704.7810 1169900.1830 213329.1510 6524081.4950 377496.2670 477688.3130 6781833.5990 813877.2720 3693335.4410 581463.2890 145660.9760 1178894.4050 283913.5490 2785039.4060 194190.5180 1926820.3830 313338.5370 150670.7990 13474186.6500 5057291.8520 2849292.2870 166466.0020 266060.0160 81666.2030 302777.9710 451130.4020 177709.0600 282783.8070 71003.5970 473710.7490 545282.1130 139146.5920 235581.7470 1023131.3900 1202910.3920 12962293.0500 1806557.0670 5471380.0190 103381.1420 866396.5610 1807650.9250 101501.7770 2094270.2720 68725.6900 8435124.1740 502717.0260 44652.1700 3487370.3170 166204.0210 251952.0440 4342282.0400 33560.7940 1407123.6350 193398.7440 1028291.0410 349803.0140 245877.2040 351759.9350 79937.1620 342370.2410 210433.7250 3330026.6810 62058.3890 352996.9690 1995291.5400 13441921.4600 74164.6400 35889.6680 187416.7130 115001.8060 134791.9990 37681.8820 256041.9120 1066935.8440 6744967.3090 96452.9380 1454449.9850 43996.3750 94352.0410 3884982.1880 59728.5710 145015.0330 940510.9820 118791.7820 466675.7340 125308.1430 3154495.2400 1161006.1260 126735.2610 12618910.2400 9653305.0900 140818.0850 6178474.3610 163048.8870 1033336.3640 1108913.4920 195104.7160 10497877.4700 6586272.3620 384085.8270 219384.1160 2106375.4630 247579.4630 167258.3160 6404131.9100 833640.0470 3448771.7540 82919.7990 119798.5130 4150501.6110 173337.6920 3995047.9820 9968336.3960 661905.6780 1521134.7820 329587.0330 402631.4810 318727.5130 55399.9530 1649409.0310 1711846.7340 35380.7200 129814.7270 289552.3380 57104.4990 5388217.3200 9495640.9180 155636.3490 458590.3390 6183129.9790 4714227.8250 68813.8120 1706434.6070 235407.3450 274669.7920 49266.6800 981161.7120 222012.7300 606618.6510 210428.7030 9442363.2910 2985688.0290 100335.1730 2569081.5600 6064773.3280 2365054.1030 424007.4540 180441.3360 1657724.9030 111725.2340 136736.9560 175318.8040 298540.8630 7786592.2720 173262.9010 155083.3010 159622.3170 138440.4080 124926.9690 97936.7950 60533.6300 22910.4720 139517.3590 53021.2230 3330026.6810 54244.1510 63303.9240 2308183.8300 11967.0410 8444564.5780 20504.8990 20599.4420 1365073.7570 11071.2500 85051.6480 5336209.6650 10199726.8100 5239789.3930 39768.4670 91084.0240 12589282.8100 61982.0940 62806.3080 6661878.4650 49942.0650 53047.6900 883842.9070 122198.3450 249561.0420 99126.0270 31828.2610 614229.7430 37929.1930 2043926.6350 77708.4580 26748.2550 280128.3320 1468914.0030 36576.3500 60610.7180 55487.4230 82031.0510 8732.0770 112080.2600 10672.3970 2203747.5300 3066358.4620 28859.9100 18965.0960 49202.7590 42195.2460 32095.7030 42786.6230 19240.7790 147585.3100 24944.5000 2655437.6610 16465.7820 28816.2970 49444.8820 69968.8800 N-Acetylglutamic acid 425246.3590 623840.6440 576337.7390 212897.5000 205907.5430 107814.6980 139298.6170 185762.2870 72136.5910 179032.6710 83210.7880 323058.3030 450907.2320 139074.2940 1173671.7140 57356.1340 1268386.9280 395237.3460 775444.7810 341054.4470 175831.3610 56462.5010 41979.4570 397029.5260 26998.1090 708502.6390 474707.2070 244101.6290 220330.4430 1263873.5960 74612.7210 749115.0440 300718.0020 197876.7620 290197.0400 199639.3480 315454.9510 747647.2100 411477.2260 582790.5500 496073.7330 462468.6450 1144.5840 473495.6590 82004.4260 186510.0660 230973.7740 1041589.4300 263481.6320 1288208.0520 119033.3690 149824.9660 153045.8410 73855.2060 298447.8340 93180.3600 1027881.4890 32454.7850 88706.3500 940084.6200 175394.2950 555403.1610 685133.1580 640566.9970 275318.0390 221787.3290 109276.6170 464662.1170 122999.5190 165573.1170 919492.1390 195676.5930 127948.6170 120981.7700 90346.2230 646316.5670 842425.5330 491348.2000 151598.7300 89897.6480 441230.0210 10581.6860 624217.4260 496751.9620 170273.2930 151997.1500 5889.9650 75447.4630 196708.2140 514643.5570 943282.8940 407261.8800 725386.2530 190827.5350 753173.4070 378149.5510 74717.8400 66738.9480 297150.1590 83532.5380 87975.6930 125106.6790 170077.5830 127753.2470 46523.3840 142067.6720 158066.9050 834698.1010 297822.5630 193505.4220 154394.2440 107560.6860 696323.2270 356762.5350 47243.1330 152158.7580 121821.6100 353416.0200 189575.3330 306295.0500 280664.9080 475974.9520 120319.1520 452653.4320 541814.8370 146982.3850 399189.8730 119082.0560 95925.5800 241403.9270 401417.5360 295688.2220 26214.1910 123152.0200 523212.9630 327442.8290 210198.1420 350773.9660 381375.8960 1071761.3710 526393.5280 409898.4060 592556.8970 528424.1070 227411.0550 738467.3170 803854.7100 7560.8540 158228.1290 1190963.0830 165004.7630 346336.1470 121635.5630 403297.6530 902286.9680 99542.7180 307000.3800 561690.1490 176790.8100 581392.3320 238304.2140 1180846.4910 1733918.7380 2080097.2170 555607.2410 1464181.9230 568746.0080 405533.0530 62623.2270 258971.2510 710432.4470 122999.5190 1533207.8320 936805.5080 53425.3840 55408.6200 112038.7230 45344.0980 103165.4160 63171.6530 62259.6900 351178.3170 89029.0390 161978.3440 71355.6590 208801.0670 1141319.5830 91041.5300 121233.7360 241564.8720 25246.9050 170981.6720 462570.1470 69214.8660 345647.2690 1714761.0360 655074.3480 59281.9730 83965.4840 71945.7520 442164.9050 690113.8060 133374.5690 111201.9050 77545.9900 232957.9890 142788.4090 325663.3500 332208.9840 74308.0240 223829.5300 29430.1040 235828.8120 186137.7430 537857.4770 135641.9900 504804.3030 293419.7230 206781.8460 181498.5770 125847.5680 135479.1050 223623.3050 59834.3290 93345.2850 296750.2800 151049.6340 283864.0150 N-Acetyl-L-tryptophan 333.1180 182.0037 221.0581 1440.7811 14140.4651 12072.5995 4459.9264 2194.8817 3106.2755 27031.4538 6155.2782 13599.1016 172.8484 17893.6249 495.4407 903.0193 380.0663 1982.9436 2721.8751 232.5194 9813.5459 2353.3507 4191.8639 602.4775 6204.6134 15969.4685 15640.1815 564.0584 5212.6493 2076.8718 3294.3183 9918.2049 7579.5398 10146.6250 3687.3623 28184.6105 204.9556 20044.8004 7425.8092 676.9064 35131.8240 5794.4372 2676.3531 7378.4129 4103.7172 10978.8665 293.4036 498.3933 597.2539 456.9981 1823.1405 1627.6120 723.1008 2172.6550 59091.2218 5024.8685 14910.8888 158606.6772 2220.9002 5938.7341 1174.3745 32931.0703 423.9422 167.3227 343.8105 24837.0001 2211.9884 3756.5219 25689.1543 232.8635 776.9518 13674.3012 5401.9085 1008.8314 3104.9270 3758.7199 4478.8420 2260.7511 2556.1050 4546.3791 2316.8776 165.2342 971.7662 4712.6647 3654.5608 8634.1963 1482.1663 5719.3980 650.6514 4339.4768 4509.3719 9555.0026 5959.8643 5526.1127 7994.6383 9211.6750 26791.5382 57740.8546 4069.9774 106736.0755 5281.4861 4833.3923 305.6208 2889.3085 7737.5908 38873.0647 1797.0425 29483.8206 1412.5822 5494.0171 652.2014 2648.9098 2501.7800 8493.8518 14118.9162 80517.7557 1788.4675 210.4841 3445.5204 4504.1916 2638.6523 6435.7214 654.7200 7223.1515 11020.5480 3440.5408 2412.0970 764.6310 2695.6511 213.7525 155.0108 360.3753 627.8878 7262.8180 313.6979 817.0980 21678.5713 20386.6518 286.6493 5151.9740 3757.3322 867.7966 2006.4753 272.8779 4735.8900 1680.0900 815.6366 1997.0213 383401.8483 91.8802 349684.5297 127019.3157 603631.9096 97.9204 965.1729 13668.8084 19559.9599 130.9050 2035.2692 5990.0492 530.0122 3332.4108 111.3795 13884.0183 1960.8333 217.3051 112.9513 5415.9595 4000.2150 2230.1650 626.8842 25689.1543 34961.8056 185.0154 18895.5804 743.2791 152733.2578 1794.4256 6964.7133 243630.8171 3095.7902 2446.7890 11323.9070 9882.8297 76087.8776 10230.8063 242.7407 23137.5255 2112.0595 6922.8857 6375.6801 1505.1819 60.0924 13006.2665 3337.4201 2924.9100 2774.2610 446.9940 2324.4454 133.0463 14858.7968 1539.8366 1579.6976 16544.2250 1717.3743 9115.5097 17783.5548 3617.6878 1325.4977 1264.1661 3791.0152 4322.1773 4483.2607 11917.6104 6333.6231 2367.0585 6683.8861 4980.6352 6175.1509 614.3530 17253.9887 584.8320 6160.8402 2253.4510 370.8738 6093.3654 9194.2514 1247.0710 Oxalic acid 2882.5151 889.0919 2772.3134 5930.8800 1157.8326 4347.9171 2753.5238 5646.5936 2341.1320 5201.3705 3065.7946 2691.4602 1791.5711 4701.7768 421.6481 8451.9159 576.6489 314.8402 2637.3745 3092.0693 5663.7054 2361.2235 5621.7764 2422.1996 462.6533 2192.7504 228217.4513 57644.7914 1222.4362 3636.7627 4547.8092 1016.3899 642.9208 1679.6309 1712.9592 4746.0101 789.5501 769.8146 2592.7315 2436.7802 136758.1016 4086.5712 5490.7874 4456.2739 16468.2938 4217.3907 2574.6531 2688.6339 1920.3676 2493.5290 11946.1317 929.0492 2103.6005 3616.3763 9811.6561 8910.8209 4318.3373 2643.1696 2871.6241 33928.3029 3178.6123 2234.9238 940.5907 5099.5088 7182.9075 9440.3804 2120.0089 2585.7397 2994.3423 1159.2304 3115.0684 1157.4792 46495.4698 2619.1046 479.1474 2743.4550 1671.9802 1664.9624 4529.9730 2713.5409 7963.3454 2389.3716 442.8207 1477.8511 3742.0351 520.4906 1960.9976 3915.9112 759.4349 1558.5574 4329.0451 687.8282 5268.4776 2528.9461 3189.7639 20340.3153 1037.1158 3378.0515 11588.6502 3370.3275 1859.1706 1948.4040 1684.2474 1761.6409 12866.0320 3864.8860 109964.9621 4025.5743 116103.7933 511.3992 7499.3086 1454.4795 11287.1177 4769.2996 4274.1635 6599.1981 188.3452 303334.3857 1228.7892 2166.9774 1170.2169 5545.9667 169993.9771 1371.9889 445.1433 3612.6053 1685.8767 3249.2196 1420.8806 2331.9093 984.0098 4286.5110 3069.1738 3975.8225 2163.3923 4576.3533 785.2120 4013.8274 1110.3449 754.6283 1169.2572 4446.1956 4697.6499 4314.9975 2039.9176 1033.5894 1394.6507 10744.7893 3105.8056 6955.0010 9854.2762 1812.0342 2390.1662 930.9189 7824.9838 14206.7018 3836.0281 2410.2884 1796.9550 4682.3697 453.7722 1299.6391 971.2945 1505.7427 2569.6461 2962.0536 5796.5106 14004.9676 2785.1659 5382.8147 2994.3423 2176.2393 2582.8994 2308.3318 2763.1294 719.1136 3782.1152 8494.5249 9626.6062 5635.8669 1964.2769 3580.9799 3176.9792 27788.4006 786.8820 2684.6400 1371.3362 1811.2869 4030.2882 3638.6936 2042.6996 3382.3031 25419.4936 2395.2492 2491.8823 5007.3319 4180.5336 16886.5982 1675.6594 5591.6253 4363.8559 9250.0792 16329.3726 2587.1110 384.8779 2054.7636 1186.5111 2859.5667 5515.1046 2572.7755 2345.8054 4752.3919 21573.0030 5934.9082 19536.4414 2127.2943 5621.7409 1258.9202 9623.6761 3760.2881 1176.1893 1793.5781 3764.5759 2116.4681 2141.2449 845.3962 3273.0840 P-Coumaric acid 1920000.0000 17000.0000 81400.0000 3190.0000 48600.0000 100000.0000 13300.0000 10800.0000 173000.0000 35300.0000 44900.0000 25000.0000 7220.0000 66600.0000 25400.0000 138000.0000 30800.0000 103000.0000 70700.0000 822000.0000 24600.0000 58500.0000 25800.0000 52100.0000 86.9000 118000.0000 148000.0000 308.0000 37500.0000 54900.0000 81200.0000 33200.0000 77000.0000 42200.0000 77400.0000 38300.0000 28500.0000 53700.0000 11600.0000 20300.0000 52200.0000 6360.0000 17900.0000 8260.0000 49000.0000 110000.0000 70100.0000 1140.0000 19600.0000 1910.0000 29100.0000 16800.0000 111000.0000 382000.0000 129000.0000 89500.0000 189000.0000 20700.0000 46300.0000 4190.0000 34600.0000 40300.0000 119000.0000 554.0000 19900.0000 63800.0000 30800.0000 101000.0000 108000.0000 37300.0000 22600.0000 38200.0000 19700.0000 258000.0000 19000.0000 19900.0000 31000.0000 88500.0000 319000.0000 36400.0000 8690.0000 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333780.1230 256027.6370 111859.5770 168708.8720 1141338.3890 138065.9090 279559.6320 274705.5720 1965384.4510 1979784.7250 46724.5890 1611616.8550 147193.6030 3156270.2950 336482.3870 1450413.5390 219917.3220 1702624.1750 450148.5630 76288.4480 756552.5750 740757.1600 605375.8660 282342.4130 544261.9110 97049.2460 355375.3380 2875345.4880 2064889.9000 1026470.1090 1583475.2580 305444.6410 725640.0690 312641.3700 61691.7450 773438.8070 1163133.5430 212838.4920 750816.2790 206091.0720 580362.6100 886398.6130 125829.2680 308152.5330 359930.1320 1376344.7620 1844945.3580 596986.4160 140476.7970 468478.9830 1291696.4870 387406.9440 1212226.0760 129237.1320 83441.4060 2506827.5290 171278.1000 2078726.1450 2591291.5600 658230.9890 641942.1100 258383.3350 3415047.4090 73094.3940 146511.6070 220055.9460 178822.2700 67374.7900 42612.4250 248687.5410 537289.8150 133030.1970 112875.2550 66480.8730 511655.3890 2592245.3350 419373.0150 891803.3290 1083823.6060 214388.0080 717345.7050 79537.3060 80611.5350 114264.2590 111072.4440 721775.9960 1416030.7570 545644.4240 77726.3510 1494020.1370 266845.5500 2124794.8160 1081574.6640 131018.4590 462125.9770 66484.6380 77412.3190 315441.1570 293316.4290 291374.2690 39696.0560 152352.1580 666030.7200 101960.8130 97323.3130 1142686.7550 137541.9490 380181.7860 339093.1000 490791.5470 584959.9800 991319.7400 112049.6400 530151.3390 295924.5330 193636.8260 79932.5130 469561.6040 773761.2160 25909.4790 588890.2970 604368.5420 263998.7140 237751.6260 900140.2580 1413053.9250 130791.5220 339487.1990 1088693.1200 5737.2510 1714.1560 9005.9120 11772.3540 6108.7210 4639.2590 129346.9680 82209.7130 17986.7590 10032.1550 1163133.5430 72005.1950 17573.5780 10182.6270 83623.2980 39355.3340 21643.9410 28416.7510 129658.2560 26464.8380 10458.0230 26598.8560 61008.1040 699301.9040 36997.0560 6380.0930 276751.8770 144475.9050 48781.9700 423940.4160 7612.2070 14429.1770 81240.4830 16591.7810 4402.0410 54032.9810 17279.7310 12076.0630 105628.2670 143222.1810 4941.7810 41939.0700 121964.3790 57966.0290 37312.5070 27457.3390 7694.3100 51315.3990 31913.1250 16173.3230 150747.1470 127051.8730 80478.2690 255745.4460 50730.9060 15673.4050 13644.2720 5970.0470 21025.7360 101352.4130 40698.3130 8234.9260 26246.5810 8502.7040 122570.4540 66214.5010 11411.5460 Phenylpropionic acid 402.2750 5567.1835 403.8149 1097.6835 138.4963 6080.1266 5507.9046 2334.0197 847.0212 406.6966 938.0722 6981.9082 3772.1946 5631.2976 4899.9138 2100.5918 19628.4238 1879.1597 6813.1244 121.4081 4217.5113 1452.1154 1769.0873 6387.3118 1936.9931 2465.1251 4774.7240 333.4269 2985.2083 7361.2040 9677.1014 7436.0859 8518.4702 710.0519 3170.9546 5450.7359 5790.0979 9543.4220 5823.9734 9706.7834 616.3899 4107.5972 281.0693 368.9441 1421.1922 7306.4056 1639.9537 4469.1194 22275.0940 2869.2097 1852.8361 4943.6298 265.3536 7602.9252 2926.3308 6826.8500 22733.4868 92.4900 1080.2639 1162.0713 5959.2275 1434.6060 589.3259 562.2083 513.6928 10987.8005 307.2517 5904.6820 1795.5704 177.0816 14843.3344 8697.0110 374.9242 5067.6976 2548.7598 10826.5749 12942.1467 2162.3414 3495.0446 2053.7772 410.9538 236.0452 7495.7122 10266.6964 1659.3796 5507.2861 400.6329 9710.6236 3891.1435 191.6196 9501.9639 1837.8592 1252.7024 147.3691 5138.7541 594.2414 5986.1887 2425.8727 9161.8473 210.3099 5820.9891 2633.6429 5276.5118 9103.0737 3794.0276 263.2340 2865.6140 587.7113 539.5200 216.9573 10895.4653 8254.3261 5431.0119 247.6004 771.9174 824.8467 1005.5658 2354.5195 204.1939 4845.1510 3340.4873 7319.4688 842.2344 168.9106 2396.3045 326.5564 8944.6573 3469.0273 135.0256 97.4899 585.0790 3218.8759 2003.0208 5579.1359 2696.2652 594.0772 1548.8046 403.2056 410.5469 351.7977 297.1112 689.7241 4516.1441 974.8033 156.9737 78.9955 102.7629 241.0531 282.7932 5672.5019 477.0665 177.8989 245.3990 195.8522 215.1989 239.1733 284.8909 383.2155 79.2999 1147.6659 126.6874 3288.0360 6380.4859 5118.4183 4161.3638 9675.4864 22620.8501 5069.5553 5722.2752 2704.9957 19155.1818 1795.5704 4464.1409 6169.8685 2154.8619 5603.5286 1337.6165 3964.6854 2733.1211 3491.8053 8813.9025 8282.3944 3955.8979 3067.9285 1750.8243 10766.3267 7733.2289 2432.2729 8332.5421 2151.3339 1253.9096 2580.9723 40287.9811 2435.0633 2799.5239 18193.1417 5143.4086 8226.9179 1225.9372 1877.4697 2350.6321 2047.1959 3518.0536 3219.9792 12015.9276 6631.5343 4325.0424 4385.9331 3028.3741 4151.9662 11312.5863 3545.2496 3397.2128 881.5918 5773.0469 2877.9353 1340.5986 4791.5303 1917.5129 6896.7258 1388.3390 1367.2609 2959.5394 3382.5906 9891.8880 3622.7074 2636.7017 4303.9855 Phenylpyruvate 84000.0000 24700.0000 99800.0000 2540.0000 2170.0000 2810.0000 2510.0000 23600.0000 3520.0000 1580.0000 3900.0000 2620.0000 21200.0000 6200.0000 80800.0000 40400.0000 52200.0000 6800.0000 57400.0000 32200.0000 42800.0000 5.7000 7750.0000 2820.0000 77800.0000 1280.0000 24300.0000 48800.0000 40900.0000 280.0000 21000.0000 24000.0000 46600.0000 7570.0000 9960.0000 14900.0000 5370.0000 29000.0000 61600.0000 29100.0000 15500.0000 173000.0000 183.0000 355.0000 36300.0000 118000.0000 33100.0000 564.0000 37200.0000 2260.0000 29600.0000 17900.0000 224000.0000 13600.0000 43500.0000 54700.0000 281000.0000 7710.0000 5140.0000 11000.0000 9650.0000 23700.0000 1880.0000 7050.0000 111000.0000 63900.0000 18200.0000 27900.0000 33600.0000 31200.0000 118000.0000 53700.0000 36400.0000 11200.0000 5730.0000 74400.0000 88100.0000 24800.0000 26300.0000 22100.0000 20600.0000 43000.0000 94200.0000 51300.0000 35000.0000 14100.0000 15000.0000 18800.0000 31100.0000 3380.0000 183000.0000 36900.0000 59600.0000 13500.0000 136000.0000 429.0000 931.0000 14000.0000 27000.0000 12700.0000 11600.0000 11300.0000 26000.0000 25400.0000 880.0000 7870.0000 52300.0000 4310.0000 20400.0000 369.0000 45000.0000 27000.0000 32300.0000 1520.0000 12700.0000 196000.0000 2720.0000 186000.0000 1100.0000 20400.0000 40200.0000 161000.0000 52300.0000 596.0000 30400.0000 25800.0000 3420.0000 293.0000 252.0000 47.4000 26400.0000 8100.0000 7910.0000 21400.0000 14400.0000 11000.0000 36100.0000 13700.0000 21400.0000 4760.0000 49400.0000 58000.0000 72600.0000 2890.0000 44500.0000 37900.0000 34600.0000 8350.0000 8600.0000 15600.0000 13200.0000 10500.0000 8180.0000 1310.0000 12400.0000 2180.0000 89900.0000 39700.0000 66800.0000 53000.0000 7790.0000 81.8000 342.0000 32.4000 541.0000 22.5000 483.0000 3520.0000 10100.0000 601.0000 295.0000 33600.0000 19300.0000 200.0000 2920.0000 6890.0000 7990.0000 1440.0000 1890.0000 8910.0000 94.2000 456.0000 872.0000 3200.0000 4110.0000 1410.0000 83.2000 4290.0000 3020.0000 2890.0000 6190.0000 164.0000 3330.0000 171.0000 205.0000 202.0000 1940.0000 1720.0000 439.0000 2990.0000 14800.0000 95.3000 1600.0000 324.0000 2340.0000 67.5000 1270.0000 284.0000 1700.0000 5650.0000 4260.0000 169.0000 11000.0000 9740.0000 6020.0000 25800.0000 124.0000 549.0000 48.2000 5880.0000 4590.0000 11100.0000 112.0000 572.0000 938.0000 4180.0000 132.0000 519.0000 p-Hydroxyphenylpropionic acid 12115618.8000 3723761.5450 86669.9460 90512.2680 2680807.7700 396886.8480 1777345.0490 3881572.6690 887610.3400 96418.2630 12508.8690 1412793.6170 21167.9980 374499.3380 61602.3390 350858.0650 39363.5800 4293938.2850 24162.1700 2162087.1520 1597577.5390 1037247.6950 326962.7370 27477.7540 554380.8510 68530.1030 2050334.5700 1968731.1110 861753.4070 111847.3390 3186151.2110 51562.4660 1650528.9650 4276709.4550 8446017.2100 371945.8010 1071070.9380 867326.3050 45384.5840 298320.9560 294365.3290 2196306.6360 672501.5810 70403.4290 190329.5720 187706.7820 2752232.4310 29182.0970 8295450.0760 32877.5400 732467.7350 1996569.0000 1238166.4890 1632515.8780 2567860.9450 2716999.4250 104308.2180 3542461.0950 4326087.2920 1224250.2900 172290.9220 2842248.3990 135715.2130 17867.2050 70107.3720 1794810.8310 1349248.5540 21362616.6600 587319.8620 41888.0910 52960.5320 859047.0390 3237.7890 1043471.8900 1161628.8250 409665.2250 24040.2530 52488.0610 1823929.9870 2591042.7470 145630.0290 15508.0900 16354.4020 4839133.1150 1104278.7740 994705.5080 854894.7940 1042330.5380 3212340.8060 119627.3100 42726.3100 2354810.9060 1910228.9880 1189087.0340 35716.0050 15774.2650 1373174.2330 3292222.1170 24121.9500 94276.1690 1880021.0230 13073991.0800 2954211.9750 83346.2730 1676303.9220 82546.4900 28560.7860 3956720.4150 916762.6620 541721.1300 152348.9960 736039.1900 5196.6520 61274.4020 2320249.6430 38001.4030 1565244.2130 9828.6680 1257434.6420 3914747.8100 2890800.4650 15679.5300 2810191.4930 2765470.4700 2529993.3960 415623.5070 1808335.5600 7440922.6840 354592.3250 5238118.8470 272040.6950 157075.6680 1746753.2570 3071868.5480 22083.4850 308339.3310 861273.5100 129386.4760 1537.8400 1159539.0610 2132.6420 2699896.1130 1343108.5820 1423107.2640 2937793.8130 2563398.2720 4925006.8680 2045661.2610 21092.0980 38138.0270 1003.1000 13529.8730 2831468.7550 997621.4690 4107109.8950 1096582.0350 626762.8940 990159.2270 1780300.2310 4894913.1280 1796658.5410 10791.6690 5289.6100 148533.0330 2829501.5220 75923.7730 336946.3240 2318899.6780 427309.6920 20479.7380 38072.4700 587319.8620 804.1140 55165.9410 122876.9500 1573551.4610 81702.6870 1316384.4080 5208560.1770 326155.3760 953104.3580 203542.4550 311570.3230 322789.0450 74150.6910 220950.2230 58586.1710 16598.9600 4696128.2650 271491.4490 34722.5800 213298.8530 1221905.9990 188949.5650 4955.6290 23276.6860 2990048.9640 371168.9230 2195053.6170 351430.0290 128007.7490 1969891.4130 5703485.8510 1331673.4670 543034.3460 62610.8590 2365359.9760 19505.3570 1802684.3000 3402825.7690 627805.7040 160205.5400 662263.3630 4187.8450 1518956.1830 1524113.5570 1370786.5840 1226040.4170 2244948.6440 3048404.3690 1454133.3010 2780680.1830 1768930.1700 2066541.7030 105562.4030 2193522.6510 2614149.8190 2591014.6660 Pyruvate 11547.4379 47325.0689 7071.5526 5963.1225 325.2941 4559.8780 5246.7423 2795.5859 3250.9128 2971.0007 3438.4532 2529.6250 2265.5452 1434.6391 6058.4579 3521.7441 6227.3712 1653.5075 5856.1602 2127.8794 9715.4700 6537.7046 8642.3435 5384.1703 24036.4078 6093.4898 15538.5786 12281.0044 11904.7010 701.8929 8057.8452 1706.1524 1635.3485 532.6123 229.4981 2878.0901 509.0996 629.5252 2900.1620 10604.7191 18536.0410 420.2697 2640.9829 488.0313 8302.7907 23893.8402 1323.9552 460.7039 9948.5944 3118.3185 25762.8238 16918.6491 3165.2783 10397.9829 28723.2049 3129.5529 11186.0682 15111.8951 15225.0328 380.8114 4450.6320 1779.1737 6813.6563 1428.4488 2544.1622 9248.5752 14700.1212 3853.4722 2382.8442 1427.9346 650.7957 8547.6612 12567.7719 24865.8875 23520.2597 5004.8243 1379.8633 3860.0227 8168.8333 6476.6982 12131.5439 5136.1289 313.9713 1368.0912 7873.2991 9939.1367 20806.3008 4854.9145 16143.0665 1898.0052 234.7506 3458.7372 3431.1818 4367.1160 2882.7504 713.8104 725.4425 9812.3548 2969.7500 9198.7854 2159.6908 748.5657 1638.2452 9296.8919 21437.8676 27349.3671 9889.8019 5217.1104 15310.5389 26257.9206 9483.7126 14043.0205 1280.9390 9938.9094 2309.9118 2921.1869 12769.5830 3803.9881 8031.1833 3015.9398 5155.3177 2613.1291 5102.4359 3806.9014 578.3103 9867.4898 300.3052 11317.5882 2426.7426 5315.0977 13979.5392 6965.5468 13411.2602 6924.0281 260.7184 17431.9139 13863.3217 19365.9090 2695.2771 7165.0479 14930.6831 1455.7626 7036.4095 1325.7708 2849.4970 3521.6555 3404.6567 8079.7244 3013.5477 2462.2412 6379.1019 1815.7999 6591.5330 581.8567 8478.4034 11006.4598 4629.8957 2085.9229 2472.1760 14416.8362 7000.4010 169.8386 228.4897 566.2128 290.9100 50.4817 338.8826 105.7217 2448.3264 403.6901 1128.6469 2382.8442 645.6949 742.4430 346.2110 862.9691 973.3355 253.4637 362.9054 13372.8654 448.9600 42.9419 214.9318 3270.5038 99.6789 235.8935 135.6294 841.9495 115.2677 1138.4743 10494.7366 675.3019 878.7309 591.5775 671.5705 838.9687 511.6734 856.5726 2021.7080 237.7342 1721.6414 191.0774 2049.9344 182.6382 1459.7327 1032.5050 911.7583 163.2134 268.0565 194.4398 583.0010 1238.6144 1549.3961 17271.4569 1110.0271 295.8684 72.1519 128.7716 219.9536 206.1669 461.1586 1102.8074 143.9029 964.3027 154.5870 721.0913 375.5811 524.7731 Rosmarinic acid 98.1000 77.4000 28.2000 136.0000 72.8000 250.0000 24.9000 11.8000 110.0000 67.9000 22.2000 17.9000 128.0000 178.0000 46.2000 70.4000 103.0000 96.1000 58.7000 32.6000 57.3000 95.1000 8.9500 47.3000 32.6000 141.0000 37.3000 77.8000 136.0000 159.0000 94.3000 148.0000 48.2000 74.3000 75.5000 63.7000 72.8000 112.0000 81.1000 121.0000 93.9000 88.3000 7.6500 78.4000 187.0000 13.0000 77.6000 703.0000 159.0000 63.8000 46.1000 92.0000 23.1000 126.0000 104.0000 236.0000 44.8000 30.2000 291.0000 55.5000 35.0000 23.7000 66.0000 121.0000 50.8000 107.0000 40.8000 64.7000 58.7000 105.0000 52.1000 112.0000 63.2000 94.2000 50.0000 12.7000 99.5000 136.0000 54.9000 143.0000 81.1000 29.7000 111.0000 179.0000 141.0000 25.5000 26.3000 38.7000 13.1000 26.3000 179.0000 109.0000 80.9000 95.2000 241.0000 2130.0000 153.0000 83.6000 56.5000 42.0000 340.0000 47.8000 85.5000 64.9000 15.5000 14.9000 66.5000 121.0000 2650.0000 272.0000 27.0000 42.6000 81.6000 73.5000 77.6000 28.7000 171.0000 218.0000 347.0000 87.5000 372.0000 81.5000 61.6000 75.2000 25.6000 33.8000 66.7000 20.2000 38.8000 41.9000 47.4000 66.1000 206.0000 328.0000 1040.0000 420.0000 133.0000 30.6000 246.0000 57.6000 108.0000 169.0000 2190.0000 86.8000 80.2000 267.0000 73.3000 3540.0000 1540.0000 59.9000 28.9000 417000.0000 145.0000 220.0000 34.0000 348.0000 76.3000 222.0000 98.0000 107.0000 130.0000 142.0000 64.4000 33.8000 159.0000 19.2000 50.0000 20.3000 24.8000 26.7000 165.0000 58.7000 46.7000 75.1000 52.5000 108.0000 212.0000 45.0000 55.3000 81.3000 50.5000 31.9000 33.0000 44.1000 48.9000 41.5000 794.0000 123.0000 12.7000 25.4000 154.0000 22.2000 285.0000 188.0000 116.0000 1170.0000 42.0000 126.0000 19.5000 340.0000 243.0000 52.3000 33.6000 45.9000 478.0000 105.0000 56.6000 108.0000 65.6000 458.0000 17.0000 32.1000 803.0000 48.2000 213.0000 68.6000 179.0000 52.6000 87.5000 105.0000 11.2000 71.3000 28.0000 31.5000 87.1000 31.2000 82.5000 85.6000 Sebacic acid 36799.5421 15892.6038 46172.9570 14005.0018 1003.9339 13867.6513 38941.9256 13925.0766 29201.0776 14202.8065 12905.2524 25795.0435 27763.6501 10870.7815 44391.2825 25900.8723 45059.1696 24416.4143 38493.5531 3762.4656 27015.0642 21126.8456 21201.2193 92622.1323 9107.0965 10895.0230 22367.2916 3049.9070 3928.8718 130152.5113 19422.9960 46668.0649 20020.7147 39152.3725 30736.4726 20382.3642 51437.0261 16240.4811 89711.0266 60809.8911 37466.4230 35979.3282 11415.8678 17851.7729 19275.0303 13181.4692 8870.9420 122455.5173 27465.0427 64819.6832 4573.3986 16160.2436 18994.3198 21055.2810 21242.6555 20659.3046 22921.0969 820.2511 3963.4600 31721.2634 36486.2165 16540.9715 6363.6162 20208.8004 22304.5487 40694.1033 5356.6447 28754.7762 46315.2275 8503.9485 69993.7753 35853.7780 4170.1401 1903.9373 11346.8645 86913.1595 71924.5181 61633.8849 40216.3231 48898.2429 7298.2423 11309.4272 61976.6543 41353.5878 5867.1668 52974.6020 13561.6250 26505.1600 14013.7192 14271.3813 51354.2245 30737.4220 29511.4524 10433.6355 29881.6951 2178.2823 15219.0204 29493.0781 18612.5399 9954.5573 47315.1733 14452.8265 42130.7741 33829.6065 15639.4495 13318.6513 3694.0262 50794.1519 16679.6618 13871.9553 39302.7466 25674.5477 76354.0137 17882.5347 35479.0974 7830.3179 3166.0418 15878.7458 22115.7951 30290.0295 35131.8944 24696.4673 22655.5291 12653.2251 53379.9924 32513.5817 35382.3210 15032.9965 10884.7872 25841.3072 997.2407 1467.5582 32374.6227 26666.3584 37210.2877 59695.1380 35258.0372 3417.1200 11273.1121 48317.6558 51403.4373 1790.2770 40549.2337 61283.9340 2131.9386 48748.9391 43403.8234 42010.1261 22585.8152 9178.9968 30067.4303 17245.9163 29795.4352 7179.9698 8715.7133 24065.3607 56021.3610 3001.9119 4367.1444 9721.9386 3587.5860 27374.9162 36796.9153 52921.1260 32148.3974 108537.1480 52702.4180 119257.3372 36856.8580 36128.4745 51090.2810 46315.2275 45930.1171 34657.8455 40542.4498 29216.4609 29753.7605 33470.3682 28025.9517 31189.7540 8035.1581 35277.2013 27565.7109 29750.2978 36072.6875 74095.2743 70743.0371 16927.9208 24803.4611 58819.9040 36618.5458 30723.7310 93728.5849 19193.0760 15669.2947 65655.1726 65728.9900 16331.5719 37717.4671 30166.4633 36330.8261 84072.6322 32802.1930 11906.0094 43234.7612 28714.4226 59341.2977 50102.4289 40934.7560 61107.6016 64669.8076 14252.5348 41964.9644 9194.7649 14840.1066 67068.0090 33507.0031 21881.4744 50678.5581 53469.7705 34429.1125 96465.2606 24730.8571 39420.8757 54402.5943 47622.4734 35882.2113 25559.9106 Succinic acid 21462.0100 15774.6800 138261.8000 1688580.0800 63973.3400 6883458.7200 7248375.0700 350369.1100 1013138.4700 185423.9200 6504754.7600 368249.1800 570889.1100 6543307.5800 796904.9400 3853424.4800 508677.6200 170454.6500 1116355.8400 263089.9400 2594360.0900 195280.2900 2231116.5800 322877.5500 145802.8100 13575230.0400 5176523.5100 2527382.5000 151320.1100 263146.2300 68236.6500 303572.8600 486352.2500 166941.8600 291850.2800 88352.0300 449166.5600 599470.1400 133188.4700 244256.6500 1022708.3400 1378576.3100 12573897.9300 1597995.8900 6153344.0100 103634.1400 774850.9400 2162166.4000 94843.6700 2121704.2200 64978.5300 9095415.5700 427803.5800 47397.9900 3636325.1200 167094.5900 346197.0900 4872489.2600 32891.9400 1558512.4700 171970.4600 1026818.8100 434049.5100 230940.5500 342392.5800 81295.2900 328054.6400 232478.7900 3556878.0900 63704.8900 359215.6300 2100941.5600 13025019.1100 95831.3300 33816.4100 179810.1200 129121.1500 136833.2700 39196.2900 181944.3900 985669.4500 6880139.4100 93424.4000 1375041.0800 45491.7400 91358.6700 4046326.5800 81405.5000 125059.1200 956713.8500 144234.0700 460755.4200 120479.2600 3247641.0200 977316.8600 119884.4700 12534145.9600 9349598.0600 169217.1700 6024233.4900 164263.6500 933566.1100 1255118.2400 193226.4200 10876798.3800 6718745.5100 359300.1200 208548.5400 2218119.4200 247175.2700 136030.9800 6281873.9900 987948.9400 3432347.0700 89412.6300 131222.0400 3637156.2400 182407.6900 4070261.4200 11289426.7800 712137.3700 1465547.2900 363777.7300 391663.7200 313218.9300 49064.7000 1609752.6200 1709014.8300 44055.8100 122993.1000 288434.9400 50263.5900 5578057.1900 10600179.3400 147503.0900 425162.0600 6227653.8300 4822901.0700 81852.9800 1841533.2100 223306.8400 243004.5600 48246.7600 1132820.8500 234420.4100 686667.9400 199408.3900 9014774.1400 2691413.0800 98794.0300 2432010.4600 6048921.4700 2542828.1900 451354.2200 182391.4200 1749012.3500 108959.3000 125722.5600 177279.1300 268890.7200 8534887.4000 171393.7200 144967.1800 171443.3500 110578.4700 111124.3000 116998.9600 63062.7700 30685.2600 167841.6800 61530.9500 3556878.0900 57725.2800 58015.4700 2263073.1600 15686.1600 8708000.3300 25517.8700 15571.1700 1344390.6300 21761.6800 88757.2500 5606325.7500 8557383.9900 5374487.0800 43034.1200 99234.5800 13917388.0500 60939.3300 66338.6900 6763638.9300 47306.3400 41684.1100 949546.4500 137363.8700 221686.6400 80521.5000 44272.7400 575855.7400 45846.1700 2101340.1800 80235.3600 24349.5800 294968.8800 1345768.7300 41034.5700 66754.5200 48235.3800 85486.5100 18631.5100 92077.2100 9110.8700 2182283.9200 3279238.0500 37278.8500 18643.3100 49035.8600 45729.8800 48364.4400 46948.4900 24062.3700 138981.1400 26793.8600 3162895.7900 13790.3700 33650.6200 55323.1700 80792.0400 Taurochenodeoxycholic acid 6707.6501 560.1436 265.4938 293.9649 450.5389 21026.5195 1378.6654 514.0664 10048.6195 5190.1201 5276.6167 4430.6420 6622.8492 24842.8048 3150.8841 17251.3962 1093.8048 4467.1392 1263.9052 434.0331 451.0090 17228.3520 5531.0561 3036.5538 2433.5682 669.2109 1696.4503 457.9977 662.1872 1122.9081 194.4109 327.1642 21643.7667 1034.1510 2520.1990 5742.9157 573.9533 327.7812 1489.3680 708.7307 577.2982 1431.9801 165.3931 3671.6053 4001.9055 595.6633 3060.5912 197.7006 1894.2088 175.2781 37313.8327 11209.8961 1449.1850 15122.9317 28527.4676 11771.1172 1598.5060 6923.2297 818.5444 1745.9211 8189.0462 1417.3155 143.4775 587.6384 3335.0291 7640.1305 11331.7415 633.2317 1989.7035 477.2123 409.7168 20974.8352 336.7577 1555.3411 5816.0195 3904.5608 902.0173 15712.7021 5041.2391 7369.6896 1933.8148 1613.9662 219.9876 872.2390 369.7341 4039.9156 11218.5349 1142.1180 1644.4268 2575.3101 480.5379 57198.7229 1916.0699 706.5855 352.4126 897.2541 4704.9288 446.9125 978.0177 6873.5776 621.2900 942.5153 867.4099 879.9997 6252.0119 3522.4526 143.9715 269.1740 1401.9070 476.0832 6307.9913 307.4146 536.4927 28129.4213 2075.3575 8425.1244 1559.0098 4554.2121 766.7058 1704.1930 3442.4833 1865.5161 6084.4723 703.4965 261.4752 81.4002 8378.4753 33475.7569 482.4119 313.5546 985.0712 653.2979 2451.4323 763.6571 893.9415 1533.4206 12437.8841 168.9190 1265.5278 15629.4343 336.0076 1560.5003 2248.2310 788.2512 154.9745 576.1695 3920.4558 18626.5991 12848.7071 1306.8144 26912.8079 4620.6516 2332.6162 4260.8051 386.1485 19609.3883 1089.0420 2872.6763 554.7952 250.3959 1734.3617 1058.4376 515.8191 3138.9454 456.1148 643.0460 538.2164 1319.3249 515.1373 6606.4426 691.8174 1989.7035 1020.9159 427.4161 23219.4473 1906.6445 14523.0291 243.0290 8898.1633 2749.0010 19734.5349 1868.7746 1911.6151 1485.3658 57330.7219 2561.4807 690.6536 3718.0232 4417.2879 692.0268 2241.4047 3158.5319 257.2291 51505.3484 639.8792 937.2800 3008.4991 794.7010 1611.9205 2474.2258 74969.6396 586.1000 306.7387 2093.3053 1379.7087 379.0583 243.1306 548.8440 5635.5325 8986.0609 3015.3219 6285.3875 36324.3965 973114.4474 4693.3699 2364.7999 267.2978 78343.4081 515.7037 3427.2157 7623.2322 1021.1915 574.8695 3516.0139 1873.1468 2055.2528 9057.4984 3973.0231 Taurocholic acid 389.0000 169.0000 194.0000 43.6000 612.0000 4470.0000 312.0000 154.0000 2050.0000 1010.0000 593.0000 2830.0000 2120.0000 3990.0000 104.0000 10800.0000 172.0000 1910.0000 107.0000 112.0000 80.5000 3060.0000 372.0000 634.0000 1150.0000 373.0000 59.4000 88.6000 32.9000 81.1000 125.0000 171.0000 155.0000 2430.0000 677.0000 2080.0000 54.3000 64.7000 304.0000 67.5000 2030.0000 110.0000 125.0000 198.0000 459.0000 30.2000 409.0000 241.0000 669.0000 70.2000 13800.0000 1840.0000 606.0000 3820.0000 4820.0000 5640.0000 44.9000 1990.0000 179.0000 49.6000 3640.0000 887.0000 39.5000 472.0000 222.0000 4900.0000 3890.0000 87.3000 1580.0000 46.7000 276.0000 4840.0000 85.6000 1240.0000 1200.0000 214.0000 350.0000 3750.0000 1270.0000 1790.0000 281.0000 357.0000 177.0000 158.0000 127.0000 994.0000 4000.0000 88.4000 192.0000 706.0000 104.0000 6100.0000 972.0000 10.0000 72.0000 187.0000 87.8000 82.3000 67.2000 1770.0000 68.8000 132.0000 90.7000 35.3000 2680.0000 706.0000 62.5000 242.0000 658.0000 111.0000 326.0000 416.0000 46.9000 3500.0000 181.0000 1740.0000 289.0000 25.8000 128.0000 38.7000 692.0000 37.3000 451.0000 368.0000 106.0000 67.8000 3620.0000 28500.0000 189.0000 109.0000 256.0000 92.4000 1650.0000 187.0000 158.0000 714.0000 834.0000 29.8000 66.2000 3390.0000 57.4000 173.0000 1210.0000 65.1000 128.0000 72.0000 208.0000 1380.0000 2250.0000 89.3000 296.0000 2430.0000 133.0000 100.0000 37.2000 6010.0000 698.0000 208.0000 47.5000 82.0000 78.9000 560.0000 116.0000 647.0000 55.3000 69.8000 43.2000 157.0000 57.2000 163.0000 1230.0000 1580.0000 1010.0000 67.8000 2460.0000 318.0000 1070.0000 75.5000 2850.0000 325.0000 2430.0000 249.0000 1050.0000 354.0000 4580.0000 157.0000 345.0000 791.0000 5380.0000 127.0000 698.0000 1080.0000 126.0000 9350.0000 69.4000 43.2000 128.0000 87.1000 959.0000 293.0000 16200.0000 43.9000 60.8000 402.0000 90.4000 159.0000 43.7000 119.0000 1700.0000 1470.0000 278.0000 1840.0000 6960.0000 150000.0000 38.1000 669.0000 97.1000 26400.0000 168.0000 439.0000 3360.0000 119.0000 141.0000 1060.0000 218.0000 847.0000 184.0000 830.0000 Taurodeoxycholic acid 6707.6501 560.1436 265.4938 293.9649 450.5389 21026.5195 1378.6654 514.0664 10048.6195 5190.1201 5276.6167 4430.6420 6622.8492 24842.8048 3150.8841 17251.3962 1093.8048 4467.1392 1263.9052 434.0331 451.0090 17228.3520 5531.0561 3036.5538 2433.5682 669.2109 1696.4503 457.9977 662.1872 1122.9081 194.4109 327.1642 21643.7667 1034.1510 2520.1990 5742.9157 573.9533 327.7812 1489.3680 708.7307 577.2982 1431.9801 165.3931 3671.6053 4001.9055 595.6633 3060.5912 197.7006 1894.2088 175.2781 37313.8327 11209.8961 1449.1850 15122.9317 28527.4676 11771.1172 1598.5060 6923.2297 818.5444 1745.9211 8189.0462 1417.3155 143.4775 587.6384 3335.0291 7640.1305 11331.7415 633.2317 1989.7035 477.2123 409.7168 20974.8352 336.7577 1555.3411 5816.0195 3904.5608 902.0173 15712.7021 5041.2391 7369.6896 1933.8148 1613.9662 219.9876 872.2390 369.7341 4039.9156 11218.5349 1142.1180 1644.4268 2575.3101 480.5379 57198.7229 1916.0699 706.5855 352.4126 897.2541 4704.9288 446.9125 978.0177 6873.5776 621.2900 942.5153 867.4099 879.9997 6252.0119 3522.4526 143.9715 269.1740 1401.9070 476.0832 6307.9913 307.4146 536.4927 28129.4213 2075.3575 8425.1244 1559.0098 4554.2121 766.7058 1704.1930 3442.4833 1865.5161 6084.4723 703.4965 261.4752 81.4002 8378.4753 33475.7569 482.4119 313.5546 985.0712 653.2979 2451.4323 763.6571 893.9415 1533.4206 12437.8841 168.9190 1265.5278 15629.4343 336.0076 1560.5003 2248.2310 788.2512 154.9745 576.1695 3920.4558 18626.5991 12848.7071 1306.8144 26912.8079 4620.6516 2332.6162 4260.8051 386.1485 19609.3883 1089.0420 2872.6763 554.7952 250.3959 1734.3617 1058.4376 515.8191 3138.9454 456.1148 643.0460 538.2164 1319.3249 515.1373 6606.4426 691.8174 1989.7035 1020.9159 427.4161 23219.4473 1906.6445 14523.0291 243.0290 8898.1633 2749.0010 19734.5349 1868.7746 1911.6151 1485.3658 57330.7219 2561.4807 690.6536 3718.0232 4417.2879 692.0268 2241.4047 3158.5319 257.2291 51505.3484 639.8792 937.2800 3008.4991 794.7010 1611.9205 2474.2258 74969.6396 586.1000 306.7387 2093.3053 1379.7087 379.0583 243.1306 548.8440 5635.5325 8986.0609 3015.3219 6285.3875 36324.3965 973114.4474 4693.3699 2364.7999 267.2978 78343.4081 515.7037 3427.2157 7623.2322 1021.1915 574.8695 3516.0139 1873.1468 2055.2528 9057.4984 3973.0231 Uridine 30264.3082 28586.1828 15330.2622 34158.7126 305.9814 93985.1589 12186.3753 16321.2869 2747.0199 10880.0838 15466.4921 2263.9098 53251.6566 65696.8269 32586.9355 82149.4204 37022.8334 900.7591 29364.7236 14588.6847 27774.0993 96601.2896 22974.8900 45184.6111 14111.4765 84655.3821 5632.7586 64777.2674 62362.7475 10363.5772 17543.7534 2166.8755 122903.6521 329.8993 33543.6709 23030.0968 23042.5803 520.8523 35885.6674 18731.2573 16971.9613 6033.7090 92918.6714 12641.7365 401927.4058 22446.3638 18690.7668 45324.2532 24323.4442 29659.0885 37793.2360 27926.5938 386.2956 251622.1652 122992.1556 16856.0922 6280.4633 156.0355 142547.4682 19562.9860 1152.0345 1462.3336 10367.3261 11446.9080 36553.4220 106603.6811 9575.5429 27276.8073 226.0224 9510.7269 24427.5728 57280.2431 216.0974 98523.5347 142845.7531 12564.2678 6017.5129 15410.5545 103348.8161 65129.3410 20988.2386 2258.2249 9576.8635 5863.7999 22014.9435 54913.6828 14191.0310 22910.1103 264.5286 30432.6192 13135.9239 6591.0952 3602.2958 1216.1519 44209.1707 1503.2263 156104.2262 5049.2585 12572.9486 36298.4717 11619.8394 11652.6390 15115.8746 38121.3472 396280.6301 205284.9300 17133.3751 11961.4194 38463.6355 9233.6182 59192.3049 21002.8799 8535.8739 60802.9189 39612.2176 8173.7580 41635.1450 23804.0346 9019.3737 1188.8888 316506.9722 64770.9361 143187.2095 82962.8787 49201.2321 4484.8219 25170.3007 3556.3739 66845.5401 17411.2165 24202.8303 10301.7003 27711.3272 35847.6167 423.4557 24458.1196 14215.0299 27039.1837 5414.5183 119662.4232 139603.8378 26818.3781 21635.1304 272.8193 26641.1921 27184.8313 33952.3835 18659.3970 997.7805 26235.3787 8938.7204 63723.0875 91758.5471 2551.1662 5674.6915 241059.0004 128345.0372 993.0040 44521.3021 22372.6311 7186.0505 32096.7825 22318.9089 32355.3693 39911.4933 11231.0701 19239.1157 33508.1933 18188.2513 11094.0997 19305.8986 226.0224 1436.6072 15755.0878 6921.2486 12466.1985 10644.1563 28445.8433 29645.9907 10373.4180 8708.2214 11069.0611 19590.3712 13487.0467 3105.8548 6236.1651 27905.6942 12050.4188 17137.4164 43612.4326 2209.5705 4095.9756 13555.6202 10288.5727 17161.1482 44697.1488 17326.1502 13716.5138 4998.7503 3647.4101 20573.8185 46489.5165 14020.5914 15859.3764 13617.9777 6351.5102 15561.5304 32422.2841 14671.7287 3155.0341 20143.8944 64019.3494 3229.7460 324.2053 40827.4481 10161.2600 33523.1110 5085.8255 7874.6790 24822.8706 19344.8480 15112.9194 1832.5206 6329.8266 5574.4296 14109.5408 17261.5235 32797.4131 Ursodeoxycholic acid 55482.7029 12615.8070 26908.4363 78178.3351 58484.0510 26478.2498 20973.4156 59209.5444 58098.0242 23674.7052 30897.8772 15180.6411 70041.6457 23605.7217 31598.9120 62738.0078 88090.5228 8847.0173 51686.9980 59597.8342 47657.8612 52603.7448 17989.8321 53129.2096 26077.7870 23102.1608 43692.4135 59974.9824 46157.6754 32852.0747 31386.7455 27339.4471 45190.1433 2197.6846 3762.7635 38107.5606 42981.3712 54078.9305 32109.6063 40183.6443 17481.4993 53309.9709 7045.3217 29839.7456 50107.8816 49948.3752 21885.7370 33757.5730 34771.8356 63842.4652 25645.1992 12762.8575 7214.9689 42299.0473 11589.0126 22880.4599 61649.6347 6619.2644 53907.6397 15018.2643 26222.6133 7553.9242 58697.4980 72993.7691 51268.3582 30733.6618 28608.8955 10467.9225 16528.9933 33697.1749 19385.5399 29589.6678 14828.5320 7948.0034 32080.6879 16398.0516 48247.4936 26530.8033 33084.9771 15260.7512 4282.1797 17458.6145 23895.2767 33550.8460 24986.7746 17673.1811 46658.4563 43527.1058 35406.0249 32878.9582 66677.4902 32996.3661 4477.2893 37022.7470 59187.2721 37226.5548 39154.7782 44221.0502 39632.9349 45413.3233 30944.4299 48384.8201 52198.8153 27618.4719 6690.5640 31835.2072 8774.9152 30895.0477 34213.3965 28029.2945 26161.0714 52290.7186 54165.6472 5971.2092 71930.7074 29306.8053 40499.2600 27658.7825 35057.8506 32622.9294 68670.5302 33499.1599 77112.6093 83152.5979 30679.3593 26803.1027 29110.8757 60782.9465 463.4546 38579.7917 48473.7681 24970.9171 9372.3219 49982.4434 16619.9332 6531.9113 16133.5264 20461.8098 43687.7739 35980.4444 36785.3189 88939.3131 59666.8414 57528.9749 3683.8483 14958.8237 20135.0294 18788.8675 19460.3587 75027.0841 9383.8472 6707.5788 17516.8002 41034.5183 20739.6345 83032.7036 15188.2975 17084.2027 604.6253 37304.8375 48865.2830 24333.8861 37720.2192 65550.8502 80035.1017 13681.3482 19840.6807 25355.1742 61046.1526 13641.7168 42164.1785 16528.9933 1200.8773 59186.9920 21834.6101 16996.8935 17422.9028 31281.3622 35109.3534 18527.0287 43114.6666 31642.1302 34573.3379 16811.8786 44948.0757 34692.6510 40220.7799 3562.6631 16236.6318 14989.2625 8267.3243 4056.8211 23217.1490 4969.2703 17739.9474 54875.6253 18750.5949 40165.2670 12882.3873 12087.5490 46237.5765 44776.0404 17932.5103 47074.8838 24128.1413 27056.5556 32977.3629 40868.0343 6840.9493 12131.6643 44638.4717 34179.9074 3412.4147 33522.3714 83373.2630 28701.8880 44612.9604 32989.3951 42493.3247 42171.4803 42673.8792 38722.8126 30929.6393 24003.9425 41705.7480 25045.9845 6768.1076 68157.5419 Vanillic acid 1074.4075 531.5092 553.1341 321.7293 913.5493 3589.3640 8359.2479 980.2496 2701.3738 1792.1999 7066.0915 2424.4251 568.5801 6329.5554 1321.5810 6638.0947 1753.2315 3594.6537 1054.6722 485.8141 8121.7738 2339.9328 3248.6463 8272.0019 1831.3045 11212.2551 2023.0382 4692.4913 13214.0068 955.3683 3160.0288 2310.9975 6835.2292 739.8731 6375.7443 2193.1417 117.6626 559.7035 703.4755 2712.0285 8646.9617 2216.4997 651.4280 595.2768 10640.2252 7410.6997 713.9422 707.5686 3511.0030 280.6254 10835.5508 1804.1573 10217.6864 8692.9512 15369.4053 6809.7622 1051.2246 572.8109 1865.8221 349.5245 1474.0597 2010.0312 425.0192 1127.7352 1062.2484 8379.0160 607.9910 100235.8732 8791.5248 1093.2157 3833.3499 3363.5385 327.2511 3087.4132 4484.4678 3464.4067 3096.9248 454.9687 9433.2683 584.0073 6452.6885 15781.2505 1066.1296 4805.2281 13124.3609 3617.6711 1586.3394 2075.7541 4935.5138 483.6698 639.7811 5804.4990 1648.7102 1461.6418 662.6921 940.1170 13575.0374 19037.9939 177.8254 13137.3252 2963.2596 4542.6921 3001.3102 2058.6274 334.3426 3437.7830 1360.5424 4396.6734 1584.8312 1191.4481 7078.6916 5187.5151 186.3173 20777.8919 975.3182 433.4345 1146.1623 590.9930 6555.7551 3791.9263 7245.3718 1939.0010 15170.9078 1877.4139 1604.2388 452.7047 2670.2776 940.2263 1114.0634 974.4331 1503.9652 400.0552 1975.4198 6320.1337 844.9213 537.5781 346.6738 3647.3834 951.4222 507.6236 22958.5624 768.1740 809.3299 451.8421 577.2279 348.3739 1353.3529 3125.0608 750.1530 1680.3942 8985.7193 951.0430 1933.8182 465.9126 1928.9009 2947.2224 36431.2643 894.2854 865.2037 273.8769 139.4626 132.1692 179.3755 263.0329 35.7315 685.5165 4183.8513 515.7087 1154.2630 602.8347 2623.5124 8791.5248 3179.8225 287.7369 12297.3302 588.0887 4812.8457 3751.6688 940.4580 24860.4915 5322.8303 115.9256 1046.7551 1334.8503 18695.9222 373.7737 1235.1073 7279.5568 3554.6736 2876.7103 715.7983 242.7957 475.6394 5983.8926 163.4264 139.7653 777.8843 1363.2684 2955.1251 131.4920 35447.8031 1188.4256 803.2566 16061.0298 1223.1061 456.4899 707.0187 274.8982 13683.7337 1792.7039 406.3777 6970.4148 24406.2776 1568.8166 923.6720 3382.8507 352.4373 6404.9397 11798.9770 1053.3717 915.3149 501.9615 250.2489 3813.4469 5500.1012 583.0585 1339.8627 233.8860 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'-Deoxyinosine 3.68 251.1 2-hydroxy-2-phenylpropanoic acid 8.42 165.05 2-Ketoglutaric acid 1.41 145.09 3-Hydroxybenzoic acid 6.32 137.02 3-Hydroxyphenylpropionic acid 8.42 165.05 4-Hydroxybenzoic acid 6.31 137.02 4-Hydroxyphenylacetic acid 6.74 151.04 Azelaic acid 9.65 187.1 Caffeic acid 7 179 Chenodeoxycholic acid 13.39 391.28 Cholic acid 12.62 407.3 Citramalic acid 2 147.03 Citrate 1.55 191.11 Deoxycholic acid 13.39 391.3 D-Fructose 0.91 179.05 D-Glucose 6-phosphate 0.89 259.02 DHAP 1.49 168.9 Docosahexaenoic acid 14.86 327.23 Fumarate 1.76 115 Gluconic acid 0.91 195.05 Glucose 0.91 179.05 Glutaric acid 3.5 131.03 Glycochenodeoxycholic acid 12.65 448.3 Glycocholic acid 12.13 464.3 Isocitric acid 1.55 191.02 Lithocholic acid 15.56 375.3 L-Lactate 1.43 89.02 Maleic acid 1.75 115 Malic acid 1.03 133.01 Malonic acid 2.13 103 Methylmalonic acid 1.93 117.02 N-Acetylglutamic acid 1.73 188.05 N-Acetyl-L-tryptophan 8.65 245.09 Oxalic acid 1.43 89 P-Coumaric acid 8.13 163.04 Phenyllactic acid 8.33 165.05 Phenylpropionic acid 10.2 149.06 Phenylpyruvate 7.43 163 p-Hydroxyphenylpropionic acid 8.42 165.05 Pyruvate 0.97 87.01 Rosmarinic acid 9.58 359.1 Sebacic acid 10.96 201.1 Succinic acid 1.94 117.02 Taurochenodeoxycholic acid 12.2 498.29 Taurocholic acid 11.74 514.28 Taurodeoxycholic acid 12.3 498.29 Uridine 1.75 243.1 Ursodeoxycholic acid 13.39 391.28 Vanillic acid 7.02 167.03 METABOLITES_END #END