#METABOLOMICS WORKBENCH mcglinchey_aidan_20220518_025644 DATATRACK_ID:3253 STUDY_ID:ST002494 ANALYSIS_ID:AN004092 PROJECT_ID:PR001610 VERSION 1 CREATED_ON February 27, 2023, 9:11 am #PROJECT PR:PROJECT_TITLE Disrupted intestinal microbiota contributes to the pathogenesis of anorexia PR:PROJECT_TITLE nervosa PR:PROJECT_SUMMARY Anorexia nervosa (AN) is an eating disorder with a high mortality affecting PR:PROJECT_SUMMARY about 0.5% of women, where no evidence-based effective treatment exists. The PR:PROJECT_SUMMARY pathogenesis likely involves genetic and environmental alterations. We PR:PROJECT_SUMMARY hypothesized that a disrupted gut microbiota contributes to AN pathology. In PR:PROJECT_SUMMARY analyses comparing 70 AN with 77 healthy females, we found multiple taxa, PR:PROJECT_SUMMARY functional modules, structural variants and growth rates of bacterial gut PR:PROJECT_SUMMARY microbiota, and viral gut microbiota that were altered in AN with parts of these PR:PROJECT_SUMMARY perturbations linked to estimates of eating behavior and mental health. In PR:PROJECT_SUMMARY silico, causal inference analyses implied bacterial metabolites mediated parts PR:PROJECT_SUMMARY of the impact of altered gut microbiota on AN behavior, and in vivo, fecal PR:PROJECT_SUMMARY microbiota transplantation from AN cases to germ-free mice induced a lower body PR:PROJECT_SUMMARY weight and hypothalamic and adipose tissue gene expressions related to aberrant PR:PROJECT_SUMMARY energy metabolism and eating and mental behavior. PR:INSTITUTE Örebro University PR:LAST_NAME McGlinchey PR:FIRST_NAME Aidan PR:ADDRESS Room 2217, Södra Grev Rosengatan 30, 70362 Örebro PR:EMAIL aidan.mcglinchey@oru.se PR:PHONE +46 0736485638 #STUDY ST:STUDY_TITLE Disrupted intestinal microbiota contributes to the pathogenesis of anorexia ST:STUDY_TITLE nervosa (Part 1) ST:STUDY_SUMMARY Anorexia nervosa (AN) is an eating disorder with a high mortality affecting ST:STUDY_SUMMARY about 1% of women, where no evidence-based effective treatment exists. The ST:STUDY_SUMMARY pathogenesis likely involves genetic and environmental alterations. We ST:STUDY_SUMMARY hypothesized that a disrupted gut microbiota contributes to AN pathogenesis. In ST:STUDY_SUMMARY analyses comparing 70 AN with 77 healthy females, we found multiple taxa, ST:STUDY_SUMMARY functional modules, structural variants and growth rates of bacterial gut ST:STUDY_SUMMARY microbiota, and viral gut microbiota that were altered in AN with parts of these ST:STUDY_SUMMARY perturbations linked to estimates of eating behavior and mental health. In ST:STUDY_SUMMARY silico, causal inference analyses implied serum bacterial metabolites mediated ST:STUDY_SUMMARY parts of the impact of altered gut microbiota on AN behavior, and in vivo, three ST:STUDY_SUMMARY independent fecal microbiota transplantation from AN cases to germ-free mice ST:STUDY_SUMMARY under energy restricted feeding mirroring AN eating behavior consistently ST:STUDY_SUMMARY induced a lower body weight gain and hypothalamic and adipose tissue gene ST:STUDY_SUMMARY expressions related to aberrant energy metabolism and eating and mental ST:STUDY_SUMMARY behavior. ST:INSTITUTE Örebro University ST:LAST_NAME McGlinchey ST:FIRST_NAME Aidan ST:ADDRESS Room 2217, Södra Grev Rosengatan 30, 70362 Örebro ST:EMAIL aidan.mcglinchey@oru.se ST:PHONE +46 0736485638 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - sample_0001 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0001.mzML SUBJECT_SAMPLE_FACTORS - sample_0002 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181130_0002.mzML SUBJECT_SAMPLE_FACTORS - sample_0003 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181130_0003.mzML SUBJECT_SAMPLE_FACTORS - sample_0004 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181130_0004.mzML SUBJECT_SAMPLE_FACTORS - sample_0005 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181130_0005.mzML SUBJECT_SAMPLE_FACTORS - sample_0006 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0006.mzML SUBJECT_SAMPLE_FACTORS - sample_0007 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0007.mzML SUBJECT_SAMPLE_FACTORS - sample_0008 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181130_0008.mzML SUBJECT_SAMPLE_FACTORS - sample_0009 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0009.mzML SUBJECT_SAMPLE_FACTORS - sample_0010 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0010.mzML SUBJECT_SAMPLE_FACTORS - sample_0011 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0011.mzML SUBJECT_SAMPLE_FACTORS - sample_0012 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0012.mzML SUBJECT_SAMPLE_FACTORS - sample_0013 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0013.mzML SUBJECT_SAMPLE_FACTORS - sample_0014 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181130_0014.mzML SUBJECT_SAMPLE_FACTORS - sample_0015 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0015.mzML SUBJECT_SAMPLE_FACTORS - sample_0016 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0016.mzML SUBJECT_SAMPLE_FACTORS - sample_0017 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181130_0017.mzML SUBJECT_SAMPLE_FACTORS - sample_0018 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0018.mzML SUBJECT_SAMPLE_FACTORS - sample_0019 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181130_0019.mzML SUBJECT_SAMPLE_FACTORS - sample_0020 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181130_0020.mzML SUBJECT_SAMPLE_FACTORS - sample_0021 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0021.mzML SUBJECT_SAMPLE_FACTORS - sample_0022 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0022.mzML SUBJECT_SAMPLE_FACTORS - sample_0023 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0023.mzML SUBJECT_SAMPLE_FACTORS - sample_0024 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0024.mzML SUBJECT_SAMPLE_FACTORS - sample_0025 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0025.mzML SUBJECT_SAMPLE_FACTORS - sample_0026 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0026.mzML SUBJECT_SAMPLE_FACTORS - sample_0027 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0027.mzML SUBJECT_SAMPLE_FACTORS - sample_0028 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0028.mzML SUBJECT_SAMPLE_FACTORS - sample_0029 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0029.mzML SUBJECT_SAMPLE_FACTORS - sample_0030 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0030.mzML SUBJECT_SAMPLE_FACTORS - sample_0031 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0031.mzML SUBJECT_SAMPLE_FACTORS - sample_0032 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0032.mzML SUBJECT_SAMPLE_FACTORS - sample_0033 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0033.mzML SUBJECT_SAMPLE_FACTORS - sample_0034 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0034.mzML SUBJECT_SAMPLE_FACTORS - sample_0035 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0035.mzML SUBJECT_SAMPLE_FACTORS - sample_0036 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0036.mzML SUBJECT_SAMPLE_FACTORS - sample_0037 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0037.mzML SUBJECT_SAMPLE_FACTORS - sample_0038 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0038.mzML SUBJECT_SAMPLE_FACTORS - sample_0039 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181201_0039.mzML SUBJECT_SAMPLE_FACTORS - sample_0040 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181201_0040.mzML SUBJECT_SAMPLE_FACTORS - sample_0041 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181202_0041.mzML SUBJECT_SAMPLE_FACTORS - sample_0042 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0042.mzML SUBJECT_SAMPLE_FACTORS - sample_0043 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181202_0043.mzML SUBJECT_SAMPLE_FACTORS - sample_0044 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0044.mzML SUBJECT_SAMPLE_FACTORS - sample_0045 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0045.mzML SUBJECT_SAMPLE_FACTORS - sample_0046 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181202_0046.mzML SUBJECT_SAMPLE_FACTORS - sample_0047 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181202_0047.mzML SUBJECT_SAMPLE_FACTORS - sample_0048 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181202_0048.mzML SUBJECT_SAMPLE_FACTORS - sample_0049 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0049.mzML SUBJECT_SAMPLE_FACTORS - sample_0050 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0050.mzML SUBJECT_SAMPLE_FACTORS - sample_0051 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0051.mzML SUBJECT_SAMPLE_FACTORS - sample_0052 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0052.mzML SUBJECT_SAMPLE_FACTORS - sample_0053 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0053.mzML SUBJECT_SAMPLE_FACTORS - sample_0054 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0054.mzML SUBJECT_SAMPLE_FACTORS - sample_0055 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181202_0055.mzML SUBJECT_SAMPLE_FACTORS - sample_0056 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0056.mzML SUBJECT_SAMPLE_FACTORS - sample_0057 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181202_0057.mzML SUBJECT_SAMPLE_FACTORS - sample_0058 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181202_0058.mzML SUBJECT_SAMPLE_FACTORS - sample_0059 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181202_0059.mzML SUBJECT_SAMPLE_FACTORS - sample_0060 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181202_0060.mzML SUBJECT_SAMPLE_FACTORS - sample_0061 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0061.mzML SUBJECT_SAMPLE_FACTORS - sample_0062 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0062.mzML SUBJECT_SAMPLE_FACTORS - sample_0063 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0063.mzML SUBJECT_SAMPLE_FACTORS - sample_0064 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0064.mzML SUBJECT_SAMPLE_FACTORS - sample_0065 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0065.mzML SUBJECT_SAMPLE_FACTORS - sample_0066 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181203_0066.mzML SUBJECT_SAMPLE_FACTORS - sample_0067 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181203_0067.mzML SUBJECT_SAMPLE_FACTORS - sample_0068 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181203_0068.mzML SUBJECT_SAMPLE_FACTORS - sample_0069 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0069.mzML SUBJECT_SAMPLE_FACTORS - sample_0070 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0070.mzML SUBJECT_SAMPLE_FACTORS - sample_0071 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0071.mzML SUBJECT_SAMPLE_FACTORS - sample_0072 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181203_0072.mzML SUBJECT_SAMPLE_FACTORS - sample_0073 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181203_0073.mzML SUBJECT_SAMPLE_FACTORS - sample_0074 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181203_0074.mzML SUBJECT_SAMPLE_FACTORS - sample_0075 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0075.mzML SUBJECT_SAMPLE_FACTORS - sample_0076 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181203_0076.mzML SUBJECT_SAMPLE_FACTORS - sample_0077 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0077.mzML SUBJECT_SAMPLE_FACTORS - sample_0078 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0078.mzML SUBJECT_SAMPLE_FACTORS - sample_0079 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0079.mzML SUBJECT_SAMPLE_FACTORS - sample_0080 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0080.mzML SUBJECT_SAMPLE_FACTORS - sample_0081 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0081.mzML SUBJECT_SAMPLE_FACTORS - sample_0082 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0082.mzML SUBJECT_SAMPLE_FACTORS - sample_0083 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181203_0083.mzML SUBJECT_SAMPLE_FACTORS - sample_0084 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0084.mzML SUBJECT_SAMPLE_FACTORS - sample_0085 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181203_0085.mzML SUBJECT_SAMPLE_FACTORS - sample_0086 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0086.mzML SUBJECT_SAMPLE_FACTORS - sample_0087 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0087.mzML SUBJECT_SAMPLE_FACTORS - sample_0088 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0088.mzML SUBJECT_SAMPLE_FACTORS - sample_0089 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181204_0089.mzML SUBJECT_SAMPLE_FACTORS - sample_0090 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0090.mzML SUBJECT_SAMPLE_FACTORS - sample_0091 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0091.mzML SUBJECT_SAMPLE_FACTORS - sample_0092 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0092.mzML SUBJECT_SAMPLE_FACTORS - sample_0093 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181204_0093.mzML SUBJECT_SAMPLE_FACTORS - sample_0094 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0094.mzML SUBJECT_SAMPLE_FACTORS - sample_0095 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181204_0095.mzML SUBJECT_SAMPLE_FACTORS - sample_0096 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0096.mzML SUBJECT_SAMPLE_FACTORS - sample_0097 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0097.mzML SUBJECT_SAMPLE_FACTORS - sample_0098 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0098.mzML SUBJECT_SAMPLE_FACTORS - sample_0099 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0099.mzML SUBJECT_SAMPLE_FACTORS - sample_0100 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0100.mzML SUBJECT_SAMPLE_FACTORS - sample_0101 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0101.mzML SUBJECT_SAMPLE_FACTORS - sample_0102 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181204_0102.mzML SUBJECT_SAMPLE_FACTORS - sample_0103 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181204_0103.mzML SUBJECT_SAMPLE_FACTORS - sample_0104 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0104.mzML SUBJECT_SAMPLE_FACTORS - sample_0105 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0105.mzML SUBJECT_SAMPLE_FACTORS - sample_0106 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181204_0106.mzML SUBJECT_SAMPLE_FACTORS - sample_0107 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0107.mzML SUBJECT_SAMPLE_FACTORS - sample_0108 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0108.mzML SUBJECT_SAMPLE_FACTORS - sample_0109 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0109.mzML SUBJECT_SAMPLE_FACTORS - sample_0110 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181204_0110.mzML SUBJECT_SAMPLE_FACTORS - sample_0111 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0111.mzML SUBJECT_SAMPLE_FACTORS - sample_0112 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0112.mzML SUBJECT_SAMPLE_FACTORS - sample_0113 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0113.mzML SUBJECT_SAMPLE_FACTORS - sample_0114 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0114.mzML SUBJECT_SAMPLE_FACTORS - sample_0115 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0115.mzML SUBJECT_SAMPLE_FACTORS - sample_0116 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0116.mzML SUBJECT_SAMPLE_FACTORS - sample_0117 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0117.mzML SUBJECT_SAMPLE_FACTORS - sample_0118 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0118.mzML SUBJECT_SAMPLE_FACTORS - sample_0119 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0119.mzML SUBJECT_SAMPLE_FACTORS - sample_0120 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0120.mzML SUBJECT_SAMPLE_FACTORS - sample_0121 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0121.mzML SUBJECT_SAMPLE_FACTORS - sample_0122 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0122.mzML SUBJECT_SAMPLE_FACTORS - sample_0123 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0123.mzML SUBJECT_SAMPLE_FACTORS - sample_0124 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0124.mzML SUBJECT_SAMPLE_FACTORS - sample_0125 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0125.mzML SUBJECT_SAMPLE_FACTORS - sample_0126 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0126.mzML SUBJECT_SAMPLE_FACTORS - sample_0127 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0127.mzML SUBJECT_SAMPLE_FACTORS - sample_0128 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0128.mzML SUBJECT_SAMPLE_FACTORS - sample_0129 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0129.mzML SUBJECT_SAMPLE_FACTORS - sample_0130 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0130.mzML SUBJECT_SAMPLE_FACTORS - sample_0131 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0131.mzML SUBJECT_SAMPLE_FACTORS - sample_0132 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0132.mzML SUBJECT_SAMPLE_FACTORS - sample_0133 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0133.mzML SUBJECT_SAMPLE_FACTORS - sample_0134 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181205_0134.mzML SUBJECT_SAMPLE_FACTORS - sample_0135 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181205_0135.mzML SUBJECT_SAMPLE_FACTORS - sample_0136 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181206_0136.mzML SUBJECT_SAMPLE_FACTORS - sample_0137 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181206_0137.mzML SUBJECT_SAMPLE_FACTORS - sample_0138 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181206_0138.mzML SUBJECT_SAMPLE_FACTORS - sample_0139 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181206_0139.mzML SUBJECT_SAMPLE_FACTORS - sample_0140 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181206_0140.mzML SUBJECT_SAMPLE_FACTORS - sample_0141 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181206_0141.mzML SUBJECT_SAMPLE_FACTORS - sample_0142 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181206_0142.mzML SUBJECT_SAMPLE_FACTORS - sample_0143 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181206_0143.mzML SUBJECT_SAMPLE_FACTORS - sample_0144 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181206_0144.mzML SUBJECT_SAMPLE_FACTORS - sample_0145 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181206_0145.mzML SUBJECT_SAMPLE_FACTORS - sample_0146 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181206_0146.mzML SUBJECT_SAMPLE_FACTORS - sample_0147 Category:2 - Anorexia RAW_FILE_NAME=0012_G_20181206_0147.mzML SUBJECT_SAMPLE_FACTORS - sample_0148 Category:1 - Healthy RAW_FILE_NAME=0012_G_20181206_0148.mzML #COLLECTION CO:COLLECTION_SUMMARY Analysis of serum polar metabolites by gas chromatography - time-of-flght mass CO:COLLECTION_SUMMARY spectrometry The metabolites listed as gut microbiota-related metabolites is CO:COLLECTION_SUMMARY based on literature mining 77,78 . Serum samples were randomized, and the sample CO:COLLECTION_SUMMARY preparation was done as described previously 43,79 . Shortly, 400 μL of MeOH CO:COLLECTION_SUMMARY containing internal standards (heptadecanoic acid, deuterium-labeled DL-valine, CO:COLLECTION_SUMMARY deuterium- labeled succinic acid, and deuterium-labeled glutamic acid, c= 1 CO:COLLECTION_SUMMARY μg/ml) was added to 30 μl of the serum samples which were vortex mixed and CO:COLLECTION_SUMMARY incubated on ice for 30 min after which they were centrifuged (9400 × g, 3 min) CO:COLLECTION_SUMMARY and 350 μL of the supernatant was collected after centrifugation. The solvent CO:COLLECTION_SUMMARY was evaporated to dryness and 25 μL of MOX reagent was added and the sample was CO:COLLECTION_SUMMARY incubated for 60 min at 45 °C. 25 μL of CO:COLLECTION_SUMMARY N-Methyl-N-(trimethylsilyl)trifluoroacetamide (MSTFA) was added and after 60 min CO:COLLECTION_SUMMARY incubation at 45 °C 25 μL of the retention index standard mixture (n-alkanes, CO:COLLECTION_SUMMARY c=10 μg/ml) was added. The analyses were done by Agilent 7890B gas CO:COLLECTION_SUMMARY chromatography (GC) coupled to Agilent 7200 auadrupole time-of-flight mass CO:COLLECTION_SUMMARY spectrometry (Q-TOF MS) (Agilent Technologies, Palo Alto, CA, USA). Injection CO:COLLECTION_SUMMARY volume 1 μL with 100:1 split on PTV at 70 °C, heating to 300 °C at 120 °C CO:COLLECTION_SUMMARY /min. Column: Zebron ZB- SemiVolatiles. Length: 20m, I.D. 0.18mm, film CO:COLLECTION_SUMMARY thickness: 0.18 μm. With initial Helium flow 1.2 mL/min, increasing to 2.4 CO:COLLECTION_SUMMARY mL/min after 16 mins. Oven temperature program: 50 °C (5 min), then to 270°C CO:COLLECTION_SUMMARY at 20 °/min and then to 300 at 40 °/min (5 min). EI source: 250 °C, 70 eV CO:COLLECTION_SUMMARY electron energy, 35μA emission, solvent delay 3 min. Mass range 55 to 650 amu, CO:COLLECTION_SUMMARY acquisition rate 5 spectra/s, acquisition time 200 ms/spectrum. Quad at 150 °C, CO:COLLECTION_SUMMARY 1.5 mL/min N2 collision flow, aux-2 temperature: 280 °C. Calibration curves CO:COLLECTION_SUMMARY were constructed using alanine, citric acid, fumaric acid, glutamic acid, CO:COLLECTION_SUMMARY glycine, lactic acid, malic acid, 2-hydroxybutyric acid, 3-hydroxybutyric acid, CO:COLLECTION_SUMMARY linoleic acid, oleic acid, palmitic acid, stearic acid, cholesterol, fructose, CO:COLLECTION_SUMMARY glutamine, indole-3-propionic acid, isoleucine, leucine, proline, succinic acid, CO:COLLECTION_SUMMARY valine, asparagine, aspartic acid, arachidonic acid, glycerol-3-phosphate, CO:COLLECTION_SUMMARY lysine, methionine, ornithine, phenylalanine, serine and threonine purchased CO:COLLECTION_SUMMARY from Sigma-Aldrich (St. Louis, MO, USA) at concentration range of 0.1 to 80 CO:COLLECTION_SUMMARY μg/ml. An aliquot of each sample was collected and pooled and used as quality CO:COLLECTION_SUMMARY control samples, together with National Institute of Standards and Technology CO:COLLECTION_SUMMARY (NIST) CRM1950 serum sample, an in-house pooled serum sample. The relative CO:COLLECTION_SUMMARY standard deviation of the concentrations was on average 16% for the pooled QC CO:COLLECTION_SUMMARY samples, 10% for the NIST samples. Analysis of serum bile acids and serum CO:COLLECTION_SUMMARY semipolar metabolites The sample preparation procedure was performed as CO:COLLECTION_SUMMARY described previously 80 . The plate was preconditioned with 450 μL acetonitrile CO:COLLECTION_SUMMARY before the addition of 100 μL of sample and 10 μL of PFAS and BA internal CO:COLLECTION_SUMMARY standard mixture (200 ng/mL and 1000 ng/mL respectively). Thereafter, 450 μL of CO:COLLECTION_SUMMARY acetonitrile containing 1% formic acid were added to each well and the samples CO:COLLECTION_SUMMARY extracted using a 10” vacuum manifold. The eluate was evaporated to dryness CO:COLLECTION_SUMMARY under nitrogen gas flow and reconstituted to 80 μL of MeOH/2 mM aqueous NH4AC. CO:COLLECTION_SUMMARY Chromatographic separation was carried out using an Acquity UPLC BEH C18 column CO:COLLECTION_SUMMARY (100 mm × 2.1 mm i.d., 1.7 μm particle size), fitted with a C18 precolumn CO:COLLECTION_SUMMARY (Waters Corporation, Wexford, Ireland). Mobile phase A consisted of H2O:MeOH CO:COLLECTION_SUMMARY (v/v 70:30) and mobile phase B of MeOH with both phases containing 2mM ammonium CO:COLLECTION_SUMMARY acetate as an ionization agent. The flow rate was set at 0.4 mLmin-1 with the CO:COLLECTION_SUMMARY elution gradient as follows: 0-1.5 min, mobile phase B was increased from 5% to CO:COLLECTION_SUMMARY 30%; 1.5-4.5 min, mobile phase B increased to 70%; 4.5-7.5 min, mobile phase B CO:COLLECTION_SUMMARY increased to 100% and held for 5.5 min. A post-time of 5 min was used to regain CO:COLLECTION_SUMMARY the initial conditions for the next analysis. The total run time per sample was CO:COLLECTION_SUMMARY 18 min. The dual ESI ionization source was settings were as follows: capillary CO:COLLECTION_SUMMARY voltage was 4.5 kV, nozzle voltage 1500 V, N2 pressure in the nebulized was 21 CO:COLLECTION_SUMMARY psi and the N2 flow rate and temperature as sheath gas was 11 L min-1 and 379 CO:COLLECTION_SUMMARY °C, respectively. In order to obtain accurate mass spectra in MS scan, the m/z CO:COLLECTION_SUMMARY range was set to 100-1700 in negative ion mode. MassHunter B.06.01 software CO:COLLECTION_SUMMARY (Agilent Technologies, Santa Clara, CA, USA) was used for all data acquisition. CO:COLLECTION_SUMMARY Identification of compounds was done by in-house spectral library using MS (and CO:COLLECTION_SUMMARY retention time), MS/MS information. Quantitation was based on a matrix matched CO:COLLECTION_SUMMARY calibration curve spiked with native compounds. The calibration curve consisted CO:COLLECTION_SUMMARY of concentrations ranging from 0 – 1600 ng mL -1 for BAs. The RSD for the BAs CO:COLLECTION_SUMMARY was on average 17.8 % for the QC samples and 19.4 % for the NIST samples. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatment was applied. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Analysis of serum polar metabolites by gas chromatography - time-of-flght mass SP:SAMPLEPREP_SUMMARY spectrometry The metabolites listed as gut microbiota-related metabolites is SP:SAMPLEPREP_SUMMARY based on literature mining 77,78 . Serum samples were randomized, and the sample SP:SAMPLEPREP_SUMMARY preparation was done as described previously 43,79 . Shortly, 400 μL of MeOH SP:SAMPLEPREP_SUMMARY containing internal standards (heptadecanoic acid, deuterium-labeled DL-valine, SP:SAMPLEPREP_SUMMARY deuterium- labeled succinic acid, and deuterium-labeled glutamic acid, c= 1 SP:SAMPLEPREP_SUMMARY μg/ml) was added to 30 μl of the serum samples which were vortex mixed and SP:SAMPLEPREP_SUMMARY incubated on ice for 30 min after which they were centrifuged (9400 × g, 3 min) SP:SAMPLEPREP_SUMMARY and 350 μL of the supernatant was collected after centrifugation. The solvent SP:SAMPLEPREP_SUMMARY was evaporated to dryness and 25 μL of MOX reagent was added and the sample was SP:SAMPLEPREP_SUMMARY incubated for 60 min at 45 °C. 25 μL of SP:SAMPLEPREP_SUMMARY N-Methyl-N-(trimethylsilyl)trifluoroacetamide (MSTFA) was added and after 60 min SP:SAMPLEPREP_SUMMARY incubation at 45 °C 25 μL of the retention index standard mixture (n-alkanes, SP:SAMPLEPREP_SUMMARY c=10 μg/ml) was added. The analyses were done by Agilent 7890B gas SP:SAMPLEPREP_SUMMARY chromatography (GC) coupled to Agilent 7200 auadrupole time-of-flight mass SP:SAMPLEPREP_SUMMARY spectrometry (Q-TOF MS) (Agilent Technologies, Palo Alto, CA, USA). Injection SP:SAMPLEPREP_SUMMARY volume 1 μL with 100:1 split on PTV at 70 °C, heating to 300 °C at 120 °C SP:SAMPLEPREP_SUMMARY /min. Column: Zebron ZB- SemiVolatiles. Length: 20m, I.D. 0.18mm, film SP:SAMPLEPREP_SUMMARY thickness: 0.18 μm. With initial Helium flow 1.2 mL/min, increasing to 2.4 SP:SAMPLEPREP_SUMMARY mL/min after 16 mins. Oven temperature program: 50 °C (5 min), then to 270°C SP:SAMPLEPREP_SUMMARY at 20 °/min and then to 300 at 40 °/min (5 min). EI source: 250 °C, 70 eV SP:SAMPLEPREP_SUMMARY electron energy, 35μA emission, solvent delay 3 min. Mass range 55 to 650 amu, SP:SAMPLEPREP_SUMMARY acquisition rate 5 spectra/s, acquisition time 200 ms/spectrum. Quad at 150 °C, SP:SAMPLEPREP_SUMMARY 1.5 mL/min N2 collision flow, aux-2 temperature: 280 °C. Calibration curves SP:SAMPLEPREP_SUMMARY were constructed using alanine, citric acid, fumaric acid, glutamic acid, SP:SAMPLEPREP_SUMMARY glycine, lactic acid, malic acid, 2-hydroxybutyric acid, 3-hydroxybutyric acid, SP:SAMPLEPREP_SUMMARY linoleic acid, oleic acid, palmitic acid, stearic acid, cholesterol, fructose, SP:SAMPLEPREP_SUMMARY glutamine, indole-3-propionic acid, isoleucine, leucine, proline, succinic acid, SP:SAMPLEPREP_SUMMARY valine, asparagine, aspartic acid, arachidonic acid, glycerol-3-phosphate, SP:SAMPLEPREP_SUMMARY lysine, methionine, ornithine, phenylalanine, serine and threonine purchased SP:SAMPLEPREP_SUMMARY from Sigma-Aldrich (St. Louis, MO, USA) at concentration range of 0.1 to 80 SP:SAMPLEPREP_SUMMARY μg/ml. An aliquot of each sample was collected and pooled and used as quality SP:SAMPLEPREP_SUMMARY control samples, together with National Institute of Standards and Technology SP:SAMPLEPREP_SUMMARY (NIST) CRM1950 serum sample, an in-house pooled serum sample. The relative SP:SAMPLEPREP_SUMMARY standard deviation of the concentrations was on average 16% for the pooled QC SP:SAMPLEPREP_SUMMARY samples, 10% for the NIST samples. Analysis of serum bile acids and serum SP:SAMPLEPREP_SUMMARY semipolar metabolites The sample preparation procedure was performed as SP:SAMPLEPREP_SUMMARY described previously 80 . The plate was preconditioned with 450 μL acetonitrile SP:SAMPLEPREP_SUMMARY before the addition of 100 μL of sample and 10 μL of PFAS and BA internal SP:SAMPLEPREP_SUMMARY standard mixture (200 ng/mL and 1000 ng/mL respectively). Thereafter, 450 μL of SP:SAMPLEPREP_SUMMARY acetonitrile containing 1% formic acid were added to each well and the samples SP:SAMPLEPREP_SUMMARY extracted using a 10” vacuum manifold. The eluate was evaporated to dryness SP:SAMPLEPREP_SUMMARY under nitrogen gas flow and reconstituted to 80 μL of MeOH/2 mM aqueous NH4AC. SP:SAMPLEPREP_SUMMARY Chromatographic separation was carried out using an Acquity UPLC BEH C18 column SP:SAMPLEPREP_SUMMARY (100 mm × 2.1 mm i.d., 1.7 μm particle size), fitted with a C18 precolumn SP:SAMPLEPREP_SUMMARY (Waters Corporation, Wexford, Ireland). Mobile phase A consisted of H2O:MeOH SP:SAMPLEPREP_SUMMARY (v/v 70:30) and mobile phase B of MeOH with both phases containing 2mM ammonium SP:SAMPLEPREP_SUMMARY acetate as an ionization agent. The flow rate was set at 0.4 mLmin-1 with the SP:SAMPLEPREP_SUMMARY elution gradient as follows: 0-1.5 min, mobile phase B was increased from 5% to SP:SAMPLEPREP_SUMMARY 30%; 1.5-4.5 min, mobile phase B increased to 70%; 4.5-7.5 min, mobile phase B SP:SAMPLEPREP_SUMMARY increased to 100% and held for 5.5 min. A post-time of 5 min was used to regain SP:SAMPLEPREP_SUMMARY the initial conditions for the next analysis. The total run time per sample was SP:SAMPLEPREP_SUMMARY 18 min. The dual ESI ionization source was settings were as follows: capillary SP:SAMPLEPREP_SUMMARY voltage was 4.5 kV, nozzle voltage 1500 V, N2 pressure in the nebulized was 21 SP:SAMPLEPREP_SUMMARY psi and the N2 flow rate and temperature as sheath gas was 11 L min-1 and 379 SP:SAMPLEPREP_SUMMARY °C, respectively. In order to obtain accurate mass spectra in MS scan, the m/z SP:SAMPLEPREP_SUMMARY range was set to 100-1700 in negative ion mode. MassHunter B.06.01 software SP:SAMPLEPREP_SUMMARY (Agilent Technologies, Santa Clara, CA, USA) was used for all data acquisition. SP:SAMPLEPREP_SUMMARY Identification of compounds was done by in-house spectral library using MS (and SP:SAMPLEPREP_SUMMARY retention time), MS/MS information. Quantitation was based on a matrix matched SP:SAMPLEPREP_SUMMARY calibration curve spiked with native compounds. The calibration curve consisted SP:SAMPLEPREP_SUMMARY of concentrations ranging from 0 – 1600 ng mL -1 for BAs. The RSD for the BAs SP:SAMPLEPREP_SUMMARY was on average 17.8 % for the QC samples and 19.4 % for the NIST samples. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The plate was preconditioned with 450 μL acetonitrile before the addition of CH:CHROMATOGRAPHY_SUMMARY 100 μL of sample and 10 μL of PFAS and BA internal standard mixture (200 ng/mL CH:CHROMATOGRAPHY_SUMMARY and 1000 ng/mL respectively). Thereafter, 450 μL of acetonitrile containing 1% CH:CHROMATOGRAPHY_SUMMARY formic acid were added to each well and the samples extracted using a 10” CH:CHROMATOGRAPHY_SUMMARY vacuum manifold. The eluate evaporated to dryness under nitrogen gas flow and CH:CHROMATOGRAPHY_SUMMARY reconstituted to 80 μL of MeOH/2 mM aqueous NH4AC. Chromatographic separation CH:CHROMATOGRAPHY_SUMMARY was carried out using an Acquity UPLC BEH C18 column (100 mm × 2.1 mm i.d., 1.7 CH:CHROMATOGRAPHY_SUMMARY μm particle size), fitted with a C18 precolumn (Waters Corporation, Wexford, CH:CHROMATOGRAPHY_SUMMARY Ireland). Mobile phase A consisted of H2O:MeOH (v/v 70:30) and mobile phase B of CH:CHROMATOGRAPHY_SUMMARY MeOH with both phases containing 2mM ammonium acetate as an ionization agent. CH:CHROMATOGRAPHY_SUMMARY The flow rate was set at 0.4 mLmin-1 with the elution gradient as follows: 0-1.5 CH:CHROMATOGRAPHY_SUMMARY min, mobile phase B was increased from 5% to 30%; 1.5-4.5 min, mobile phase B CH:CHROMATOGRAPHY_SUMMARY increased to 70%; 4.5-7.5 min, mobile phase B increased to 100% and held for 5.5 CH:CHROMATOGRAPHY_SUMMARY min. A post-time of 5 min was used to regain the initial conditions for the next CH:CHROMATOGRAPHY_SUMMARY analysis. The total run time per sample was 18 min. The dual ESI ionization CH:CHROMATOGRAPHY_SUMMARY source was settings were as follows: capillary voltage was 4.5 kV, nozzle CH:CHROMATOGRAPHY_SUMMARY voltage 1500 V, N2 pressure in the nebulized was 21 psi and the N2 flow rate and CH:CHROMATOGRAPHY_SUMMARY temperature as sheath gas was 11 L min-1 and 379 °C, respectively. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 7890B CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 70% water/30% methanol CH:SOLVENT_B 100% methanol CH:FLOW_GRADIENT The elution gradient was as follows: 0-1.5 min, mobile phase B was increased CH:FLOW_GRADIENT from 5% to 30%; 1.5-4.5 min, mobile phase B increased to 70%; 4.5-7.5 min, CH:FLOW_GRADIENT mobile phase B increased to 100% and held for 5.5 min. A post-time of 5 min was CH:FLOW_GRADIENT used to regain the initial conditions for the next analysis. The total run time CH:FLOW_GRADIENT per sample was 18 min. CH:FLOW_RATE 0.4ml/min CH:COLUMN_TEMPERATURE 70 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 7200 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE EI MS:ION_MODE NEGATIVE MS:MS_COMMENTS MassHunter B.06.01 software (Agilent Technologies, Santa Clara, CA, USA) was MS:MS_COMMENTS used for all data acquisition. Identification of compounds was done by in-house MS:MS_COMMENTS spectral library using MS (and retention time), MS/MS information. Quantitation MS:MS_COMMENTS was based on a matrix matched calibration curve spiked with native compounds. MS:MS_COMMENTS The calibration curve consisted of concentrations ranging from 0 – 1600 ng mL MS:MS_COMMENTS -1 for BAs. The RSD for the BAs was on average 17.8 % for the QC samples and MS:MS_COMMENTS 19.4 % for the NIST samples. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Raw output from software MS_METABOLITE_DATA_START Samples sample_0001 sample_0002 sample_0003 sample_0004 sample_0005 sample_0006 sample_0007 sample_0008 sample_0009 sample_0010 sample_0011 sample_0012 sample_0013 sample_0014 sample_0015 sample_0016 sample_0017 sample_0018 sample_0019 sample_0020 sample_0021 sample_0022 sample_0023 sample_0024 sample_0025 sample_0026 sample_0027 sample_0028 sample_0029 sample_0030 sample_0031 sample_0032 sample_0033 sample_0034 sample_0035 sample_0036 sample_0037 sample_0038 sample_0039 sample_0040 sample_0041 sample_0042 sample_0043 sample_0044 sample_0045 sample_0046 sample_0047 sample_0048 sample_0049 sample_0050 sample_0051 sample_0052 sample_0053 sample_0054 sample_0055 sample_0056 sample_0057 sample_0058 sample_0059 sample_0060 sample_0061 sample_0062 sample_0063 sample_0064 sample_0065 sample_0066 sample_0067 sample_0068 sample_0069 sample_0070 sample_0071 sample_0072 sample_0073 sample_0074 sample_0075 sample_0076 sample_0077 sample_0078 sample_0079 sample_0080 sample_0081 sample_0082 sample_0083 sample_0084 sample_0085 sample_0086 sample_0087 sample_0088 sample_0089 sample_0090 sample_0091 sample_0092 sample_0093 sample_0094 sample_0095 sample_0096 sample_0097 sample_0098 sample_0099 sample_0100 sample_0101 sample_0102 sample_0103 sample_0104 sample_0105 sample_0106 sample_0107 sample_0108 sample_0109 sample_0110 sample_0111 sample_0112 sample_0113 sample_0114 sample_0115 sample_0116 sample_0117 sample_0118 sample_0119 sample_0120 sample_0121 sample_0122 sample_0123 sample_0124 sample_0125 sample_0126 sample_0127 sample_0128 sample_0129 sample_0130 sample_0131 sample_0132 sample_0133 sample_0134 sample_0135 sample_0136 sample_0137 sample_0138 sample_0139 sample_0140 sample_0141 sample_0142 sample_0143 sample_0144 sample_0145 sample_0146 sample_0147 sample_0148 Factors Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy Category:1 - Healthy Category:2 - Anorexia Category:2 - Anorexia Category:2 - Anorexia Category:1 - Healthy 2-hydroxybutyric acid 4.89191885525841 6.13887046292535 7.11191970795621 2.81217361298886 5.15027570640225 2.64728301822374 2.91169396344425 4.16033837620419 3.83147234817234 2.41174870672487 2.19467695199965 1.74706412280186 3.17667174564069 1.87378825745524 4.43717613368699 5.19525539933749 4.69964339155411 4.28643138538827 7.97208498290295 1.66358493677424 2.67524244282176 5.42238848383186 5.62464265289306 4.39614577944939 3.06788213726091 5.47902429796997 4.24320873133585 11.0396714300964 6.98792146669429 4.86921846645085 6.84520676139723 2.47678618453847 7.39508796343515 2.62513189905199 3.40961940321606 15.2622681502214 4.00473794438665 9.7639975178894 5.59559148700421 7.18852051083125 5.11126489678696 5.42321094122771 7.21873347836999 4.77277939717329 2.48311828081291 8.08384683447169 8.6897956351923 7.32829665365317 0 5.89965060036992 4.0656759209283 6.47980247474233 10.0172154160473 0.27328640849758 4.00277518896765 3.03987742743518 2.5203472508436 9.54216017387801 10.0805973359556 7.83293465857152 8.72204812850942 7.6952892762583 8.89701900891501 5.64900243851502 13.6916230872476 7.66931984584609 3.14725393928884 6.79703092277061 7.5483910828814 7.34972975283133 4.58878543164377 2.4190262765545 6.81279539098969 3.77329988013446 7.96123576132616 10.2701959761852 16.1323636714952 9.13262364768064 14.7941689529862 12.698355621892 13.8352737624229 9.38805738541107 6.12887705306865 5.98749878724625 10.5518082355545 3.45361524314689 3.26519248614336 1.42449269802849 9.11001897473179 2.46736515862683 6.37921086357078 2.07791305245722 11.1831544386281 4.18423441877925 14.4780025975048 5.73369518026438 3.95469474304944 8.7134426549585 2.20296066602679 2.52693385626075 6.21506896939957 6.56301371359533 5.44747495255001 3.51040327953181 4.83199432473835 5.32233431272533 3.90946418928038 7.23924163729378 3.08188701215162 5.48569542352501 5.18159101591914 4.28320134630764 3.13124079351856 2.55670418675197 7.40779989420714 5.48811281192422 5.18855146485434 8.18901817121171 0.516037383093499 12.551962875843 10.47042007424 19.3473919866264 5.64546880251434 5.78526652181979 3.88774830272926 5.20533675407849 8.44922867989749 3.68394691329977 3.05027972352295 2.96943413008614 5.32156518085879 13.3777689020102 6.74008655292765 5.20185844218818 8.54924875047552 6.39312508801455 10.3955014774752 18.5648749374044 13.6901064720902 5.12349541138474 11.5171053597681 19.8832035189739 8.53447482111711 10.5459739702325 7.59069617646245 12.3665397425005 6.63489922826683 2.30220543784945 3-hydroxybutyric acid 1.32496017606371 2.50351490652756 1.6502191734348 3.8212617764431 4.62829299620499 0.529631223939599 0.625700926571836 1.69578733028493 0.317461899312353 1.13031995022196 0.202790291943039 0.226094420008497 0.609464211844113 8.86006069576621 6.48210873057156 1.04458296894918 1.0962268493608 0.549957210875885 3.81877578838661 0.396127461776122 0.266740712825028 1.8385084411097 1.88735444662313 1.10534984290242 1.23256648421613 1.69252640293018 2.32234759067423 6.66244006696563 1.90376419486692 0.341549537925188 1.11476716318611 0.395857034619554 3.45094844646296 0.454581361385889 1.24923905172308 22.2644460549474 0.762449952424413 5.46350798310912 0.663921019853174 6.49622656372725 1.66615848510448 0.634166934800837 2.75944179227768 2.18251836727247 0.494535542284512 6.44650225535473 0.840944181001724 0.958641407522948 0.565285425776109 38.8398038144441 0.49893230367733 0.63967010091447 0.533364209201884 0.668854558506993 1.57233003715916 0.522061022510572 0.827310808275246 22.6922560006042 0.563030452698996 15.1179572203766 2.1423192763637 2.11441991461557 11.2250470461556 5.5561589615879 9.11972479707681 0.817585448088069 0.987042955379131 1.60669990075703 1.05924870540316 1.21516210999298 0.566138644434109 0.827259831348627 0.885648163791285 0.83567135113058 1.33408973396076 6.50908815476296 4.39296273428535 3.52071281106534 1.55875676893264 5.57994593485657 22.977706840833 6.6990037485209 3.55528019096168 0.965542479437119 3.38048146020156 0.375221294536898 4.02150032006303 0.272087285398517 5.6432553693283 1.68473575537339 1.6585345056517 0.251183968932974 3.67357305616876 0.248844850206669 12.1069586657907 0.458242764263381 1.103552342144 6.46097308585809 0.502153529330824 1.6753882384946 1.36727676395001 0.833973389823272 0.847464718987387 0.69945371855985 1.87128708885204 0.753762897194213 0.216461131684746 2.07193507723687 2.24739591800061 0.654376377634366 0.81487619850371 0.942938605176992 0.836169972266471 0.349728046936908 7.43388438094968 3.3820817767914 0.890416840523554 3.04700651598556 1.17128586693653 7.51594865495503 19.4397159653992 35.3295045095206 0.978961778460308 0.543080307676406 1.66096183652885 1.74628137601093 5.11088886388698 0.606090432955974 2.25061192749465 0.97932946100129 1.03119707475077 1.81874703593145 7.27713353364028 0.900795370130894 9.68677759737894 2.74600931852561 8.99426573832804 56.5226556244168 39.6456151656874 1.0501768628586 4.67387483331957 30.7520349094143 3.88452792309817 1.94375531976905 11.1872811388203 19.017381035761 6.43715107038912 0.484224399121212 Alanine 19.6888420002857 24.3481555197674 37.6530384238594 20.6895445708294 21.5055137017211 37.1246028817843 25.6261525858687 20.0828074300781 30.6018074697475 23.6211196275655 25.9081834211683 22.7278241538812 23.1059620898907 23.4441237772995 20.3813950288879 24.5787759394149 17.1651353430723 25.0860210683269 17.800124240036 24.4607180841064 25.1765012676834 23.4738151978443 29.5070075455415 17.9714288166026 23.2266143018488 31.0767489055327 30.463175556811 23.9827274344009 33.4747958433465 35.2894075033788 35.711980041389 31.7116305440485 28.3025071295066 20.9190905608801 26.4538745772555 25.7303528340725 30.3025914720088 20.2002073334216 29.1168733534426 22.6535915134207 34.0036210439543 38.873709484692 26.9624242141202 23.2475949490864 33.5391388056085 22.7952158414973 36.0091132514061 26.5866953947755 30.5159567211663 15.4616421153503 33.2542984277527 58.4503595592263 26.0286621322294 32.6025152645581 22.8772730515297 38.6550605276609 22.3033056563008 25.6911120493561 26.8117038331286 21.9166606568843 29.3276234571135 38.1041479775096 25.9908649339052 24.0358847558658 30.4446972378435 25.6325676538494 23.0995295404602 26.7168709963532 24.2445438627179 31.8808231754481 52.7752812089622 35.7884470511458 36.4067129096836 32.3433391412596 56.676955789292 42.695503725179 26.3693215086852 21.1549754192879 31.7561304646424 22.513023042738 21.1077204667638 23.3036831605888 19.3539371597418 36.9123862934455 26.6691010138637 21.1814109657698 26.6879518733929 30.4932878579007 19.6106075006816 30.5681197232787 23.9763823262432 45.3793119720055 31.1068485914219 33.9393352690524 28.4499216394938 58.0547688499035 24.7147651308265 27.6540248821715 30.5681366429991 56.757797677341 79.8088567418922 32.4862403046354 40.2750813113779 31.3919116814612 20.7338224049083 33.1895540847963 34.2871493039556 44.2007981545021 36.4344114788471 37.9978261200774 26.0063740747593 34.0966295033745 46.0124201476234 32.0743893579581 20.4089598446743 31.0749314921705 46.5454968711742 26.7620136389101 29.1271581641775 25.6626914365595 26.784671318754 24.0257433067738 25.8257379337529 56.1579639832182 33.2747752154598 39.0562974808087 20.9853840276299 34.2607384322851 18.8237960289936 36.4519826338045 27.4307247175777 24.2080715479599 35.0802751056696 24.9870061935622 30.0184571474415 19.182036210298 26.201319282561 16.9594938928114 20.9419537010427 27.0881986783146 25.8787174635749 27.5157050390395 20.2181800200884 25.8808989438383 19.3747057564955 22.643827857109 28.2923602797616 31.8145713788252 Asparagine 6.80897178412834 6.8074819216866 7.8509969804792 6.9748798441429 6.38933866607999 6.93242362674953 7.04412226174759 6.18022113019823 6.01834185352258 6.23077100069658 5.92841305923131 7.43098218077378 6.39127886601753 6.60980146018923 5.48194954265464 6.09583898244148 5.40519337747886 5.91879372985882 5.45385200198085 5.42938267365016 6.75146682886417 7.02957472446037 6.79969064994014 5.88848843561954 5.55513285144545 7.3977474938397 6.95220073833091 5.78071174411763 6.15485723988033 6.18830060197068 5.95471796292179 6.36453000917403 5.49547948022607 5.57879057004217 5.81019743119736 5.3526486588658 5.98549593172623 5.79920699750812 6.62035656980234 5.21689522667066 6.08741833555879 7.96405306409078 5.49756380203439 5.22416423999692 5.19306099827953 5.43401672807228 5.2130408910956 5.95235865028499 5.69731906984497 5.00538373752291 7.07631774356122 7.6064956244413 6.90666783723931 4.43924758031675 6.28373593986195 4.95110670777248 5.5272556007746 6.24858981598198 5.63952566025008 5.93196815070987 5.32932031416296 0 6.04713134411257 4.93846793440692 5.65501703026315 5.23652225722824 5.74021281555453 6.75606614118464 5.82210201309282 6.13504901422227 6.02912005701361 7.25367762155061 5.50909705840021 6.90397273208901 6.57537440784779 6.79025564135979 5.24265509903342 6.11947412147847 5.33588225366939 4.67363295066424 6.21546482431829 5.65279332314217 6.10894764352549 5.83793989447293 4.40219580325697 7.79783256002663 8.95184745573483 6.36788472345734 6.60967873164181 6.05201353320658 6.01235502278115 6.28703132016299 6.89574536643511 6.92867330975594 6.51943363109745 6.93374681583946 7.84548792247573 8.76221066559809 6.77429580128666 8.59951235657215 6.93033211329326 6.79396458047949 7.39725516461812 5.89476881153486 5.66839832462605 6.0834195958345 6.17774437173642 5.57315885591639 7.63197415240844 6.58534357039439 7.88236406924139 9.3087845234033 6.50201218342893 6.72416837776201 5.33583033800917 6.76291774090957 7.97959031926478 6.75438986235504 6.9327978306258 6.46612072207832 6.35040484917357 5.71542228034505 7.42780252857425 7.42320918614015 6.65303454633874 5.79512375574875 6.19830040437773 6.1908264817568 5.87471362553755 6.29968198256784 4.95769080814263 4.8121445109155 5.4029564406117 5.28212789041616 4.96341702686427 6.35842181058475 7.77002345328091 5.5303653907618 5.4796286925747 6.31932158919455 6.9953096610154 5.30376834769733 6.15882756290245 5.52608416344188 5.23115527322841 5.72030692509601 6.05287886784647 5.83813109884002 Aspartic acid 3.36414045178722 2.50485015842745 2.31751447950318 2.43468121195822 2.67182090237598 2.16865266974033 2.02278940300228 3.07374234026849 2.42537666928629 3.32037593079815 2.18864959828541 2.85674384366762 2.36659589546133 2.55925531328434 1.87156389145056 2.22786061161333 1.97087478462914 2.28666051096011 2.11276547264003 1.71627700361078 2.29092474756395 2.41095407873237 2.06743039960135 1.86121971974586 2.28974526385842 2.17478386576615 2.27154754849537 2.81330455730889 2.37995304503194 1.91750369134162 2.24532447130837 2.15430012269599 2.12068667070359 2.32742181864129 2.75243740575138 2.33677611012369 2.57582896897906 2.18748005546174 2.88016390350393 2.23809331556009 3.22673359365083 2.62743113739357 2.40529196615143 2.94396943396807 2.41380795662573 2.40312700759139 2.67458085929244 2.34021015033082 2.90986486580342 1.94440340925866 1.97826117051381 1.59012245885513 2.34649204187642 2.23619002677859 2.31241423724357 2.13193956582468 2.08739400329894 2.63257913758207 2.56856999664114 2.22625011807308 1.89241494130971 2.5652062219806 2.115569590107 1.89069368238987 2.76212749682645 2.01356388292272 1.89185705576247 1.89321122177495 2.35414500831952 2.29562912093469 2.3703246827421 2.40383802942857 2.51411321709469 2.57013347819577 2.66030852846773 2.33182793672673 2.10500751951251 2.18079555331945 2.73013461047496 2.49497523479412 2.33170288974152 2.52498109281523 1.66644239372047 1.70015920897879 2.13927758131798 2.74288336898255 2.92911126411554 2.30553558789925 2.77638003331869 1.75800123323078 2.91398159163356 2.44544129636988 3.36705956099411 2.66651724376332 2.42838749211276 3.08134054203109 1.93182079901606 2.3214845911883 3.79079382419222 2.496156073618 2.95030061885178 2.12081084808696 2.81235636310074 2.66597588086813 2.40455784565287 3.93108448729184 2.20688880883017 2.57162164135446 2.64099348329204 1.83352724023158 2.16953290351831 3.28528723284852 2.5493271711689 2.14481669101575 2.88012262317934 2.52116173267281 2.96585234115838 2.85962548334569 1.97719435281641 2.80978191494729 2.59363784158891 2.46866953482961 2.48353703075988 2.57788406815951 2.15946790927557 1.94765638678667 2.52032875275295 1.98454595191162 2.24016174006703 2.47939173266584 2.41870887696753 2.19419168158373 2.48434461852718 2.47416593447952 2.59643545188011 2.16024529487957 2.45573011463719 2.30697151532762 2.26950433152227 2.19958168449703 1.726331084305 1.90520904780966 1.9274035508483 2.33297775779234 1.66625233281307 2.08939525361666 2.18369549810305 2.29460606344121 Citric acid 10.6555257615422 14.5488757508009 11.5776783782727 16.7481410861365 18.2543309225602 19.4501711932188 13.8670083367182 11.4486865631584 13.2378883633307 14.8809901153271 11.42975247815 9.62315921164839 15.5211243315158 19.0879999659799 18.4810975559966 13.7641824642279 12.9899815456658 13.654387842552 16.150367084807 10.84492245571 8.8840668345906 10.104270139529 16.7316232081978 10.9029130593045 10.2326251724251 13.2141154343493 13.0528866153062 15.5256977245781 12.0382579755043 11.8389677725025 13.1904739069722 13.0947281671189 11.9370135488791 10.0237370535175 11.9464716755892 16.8270405336883 10.1707790272337 12.6600041430978 10.5613853883847 18.231547944456 10.7254437148881 11.3768722392588 11.4061274057786 13.0322157715144 12.3479413693479 15.4001122816229 12.7549861296135 12.1413752119281 13.4363603883469 17.3349981772477 10.1979774778452 13.3115816784782 8.43529182051122 12.0838800560482 8.43752857878456 9.07927303675642 8.79251345547638 13.9776518808533 8.536220847108 11.9396380475037 11.0514821917234 13.0562070459449 11.1147015586183 10.9498331886648 12.0852815521198 9.14402987577921 10.0587133118412 17.9317858802656 10.822502302475 9.5805099576262 10.2573817544322 14.401147008045 8.16808937448902 16.5416830770685 11.909351410036 13.4625171540899 13.9758938530309 14.4724952925797 12.0769701599164 14.0848120011719 14.6803084231143 12.695137565827 16.7854060196847 10.2002074333722 15.4018314282298 9.21346132087125 13.8348353071763 8.55192998027296 12.924173008082 13.9565607573041 9.17438834731565 11.0658056668669 14.4494405272144 8.78249419363704 16.2879072545422 9.41713084153483 12.679166647459 11.3550997765938 9.25423054492727 9.06132473337361 10.9639185730117 9.1804106141165 11.7801258732167 10.6539412662473 11.0600946713341 10.0419629313697 9.19795435987821 10.1766328922483 10.1682734653994 9.8249309409921 11.1854679269842 11.4084925860633 10.7047190026289 11.0696799415186 13.6669649344899 12.8933803105549 14.7930085338239 13.279265575559 9.99818340406528 16.5096056471915 15.4674020263806 16.6420181001112 9.53737146817542 11.4727364018906 11.7941546143786 10.0938507431841 9.91858394882271 12.6257143102058 11.4922114810179 9.89865807063506 8.9121216768968 12.6662533673227 12.6953093150496 12.707677267134 13.6870374894576 10.886649420041 10.4738908763872 12.8192070265642 15.0378643345819 11.4803449341689 15.6472907284713 16.6428670699337 10.3736366488735 15.0901710835484 12.0884774460155 12.4598943423881 12.8688109147185 7.68229861396522 Decanoic acid 0.329163003720947 0.425874292948243 0.642084300062031 0.507970948703517 0.28466631804372 0.487617752041508 0.340164609120349 0.544600732274128 0.657446745147882 0.243666969818678 0.182588962802087 0.35163099562544 0.235664252651197 0.569338199209692 0.51016046626138 0.377958226079408 0.535802736787053 0.454706475095901 0.96068320638439 0.09679643849469 0.079043149872806 0.352563030299571 0.888073688566887 0.435533439944135 0.035259082485942 0.816552322201404 0.250899613145529 0.376607108846807 0.322017286658845 0.808169406302119 0.575988132438895 0.199174982290091 0.739778863634547 0.281361416000504 0.548872566575073 1.05444756863379 0.323336457435839 0.992355669669758 0 0.523444798023102 0.487559783862802 0.282348960078609 0.464673159998656 0.671709642172484 0.902991958174789 0.936683391729829 0.213623688892766 0.431712467997352 0.594429331323647 0.854530208551561 0.334997325751421 0.918066551159798 0.34412302496062 0.432303251166809 0.592686677032568 0.194240050360353 0.357455051572838 0.699633749449147 0.643723754217983 0.685503064503569 1.10886059149324 0.356671577569197 1.20877428032591 0.591312331572286 0.573550359735398 0.860326180708868 0.538486106841817 0.906424013852098 1.57436866184328 1.09127129677675 0.790840408612125 1.05400785770947 0.979715638564208 1.58693230575979 1.80368636321787 0.598721180099091 1.09055229864878 1.5219465229423 2.37795283083726 1.33606851583841 1.51205613565257 1.17337503608693 0.42599926461539 0.502429926666963 0.721616420313439 0.730209354590803 1.73572023758816 0.502179832979838 0.491184610785227 0.540050214394656 0.731835180405213 0.717197931669031 1.17063821849561 0.658454633951219 1.03184186661847 0.572323885223378 0.530571954660831 0.815709669829326 0.543574826575806 0.547606451922237 1.1558733264096 0.859246558502207 0.382493645669499 0.529037870937642 0.999154388800176 0.560733747486999 0.533597504193933 0.301391965247651 0.276053524709025 0.501842882599459 1.11148387224816 1.04351318376628 0.835374079915153 0.310383294272493 1.01216520390333 1.06870535387368 0.775740445210661 0.640864039977464 0.309943914468358 0.510937760042422 0.574454118103406 0.658574241588327 0.411997474041995 0.30748852586802 0.473634961945734 1.20422428470722 1.19792943146162 1.01697447564692 1.18669906707633 0.464873457407654 0.78727661633187 0.759499044580065 1.12327387338196 0.860697057133475 1.02029444603711 0.468306308049334 0.505970744744579 0.544763820887165 0.664660685000857 0.865514348221633 0.296117718724661 0.881916213548482 0.74364647230068 0.724776187081709 0.655423278531524 0.593703970789478 0.989227608129308 0.632691391987567 Fructose 1.09997640185815 1.45637209991129 1.06362991689866 1.41534291275652 1.6333061978331 1.74374482175078 1.24582223372668 1.58566251849797 3.35848914369905 1.79930118025778 1.76009911189654 1.424774718337 2.12698261401777 1.18925128045999 1.2534921314511 1.68788144998294 1.75082302176789 1.65203616083686 0.360231819961733 1.94273999895808 11.3906358636035 1.31777313128931 1.23538922998584 1.39535025171265 1.58946540028675 0.957120224027472 1.12615330784306 1.3887959670926 1.0209573113767 1.05040832585991 1.55217530578455 1.19833623749549 1.12713724927353 1.35264601911031 1.06068850119387 1.28449009756401 1.64839154350062 1.12452214738488 1.09921636939642 0.954494404935246 0.995768300606187 1.29721424875499 1.07630260953738 1.54137883691022 1.60113075854868 1.27793435497333 0.686054133295009 0.683079923371251 1.35660358375716 0.942318921056256 1.31622563778227 12.2591008988788 1.32799582417309 1.10935361108319 1.26473028549522 2.41871556037654 1.18687123705681 0.848298224793727 1.25411896239031 0.983887553516316 1.23085057309966 2.33565877174058 1.14349079384417 1.55004141001792 1.74867284739262 1.36225876372886 1.65365585124706 1.41264424947366 1.45567941320644 1.10023969548691 1.66968471041484 2.10908445802929 1.46484467592647 1.53354969773687 1.2001624250562 1.96261122823495 2.63321359563211 1.4855423313635 2.2790303668368 1.96546272007336 1.08305640294423 1.85356123844558 1.42577001270186 1.14773566130743 1.50852469521053 2.63571151051377 1.64795027490247 1.56133105390986 1.37086117103219 1.895918862863 1.73619411216565 0.429248659220698 2.77246074124045 2.52359254369979 1.85367175755905 1.68652834529135 1.83472816025237 1.76621386860085 1.57741145842323 1.46705948706977 0.635967119457077 1.28275354648 2.7985414237977 1.29476082048948 1.45833636813802 1.77277908951492 1.33658164778689 1.34577273163184 2.10824536085742 2.0883186881577 0.407535041820156 1.44884792948376 1.71345541843255 2.1774307084322 2.65263203937103 1.67898931997514 1.71632815335281 2.42682811866713 1.95293959970324 1.65705087284203 1.31878481465712 1.44609661592605 1.70141645386106 8.56961745562387 1.27532460350372 1.37531229121642 1.73889557887696 1.35120570217082 1.86937645605312 1.62146271210617 1.18523948352154 9.18408175439713 3.66199452430773 1.90889772350446 2.44216962992545 1.59982264741995 0.834940000743701 1.18006978809084 1.3140545860625 0.877885218650417 2.13666541000217 0.937205563740218 0.817158846500301 1.69375519500585 0.730963445441009 0.984085104526056 0.895204927149525 0.864971300691342 Fumaric acid 0.183632864749062 0.340962876715769 0.267975016420291 0.378855625218761 0.355259889371035 0.295831860005584 0.32182156071888 0.322374661579754 0.389612826331245 0.269824759286376 0.295328294400463 0.243198212361276 0.278543465912483 0.595660970160981 0.457547227400791 0.408743815556234 0.43450493264526 0.360599831938191 0.529047505524961 0.330321219258399 0.207592062008274 0.23950208721156 0.344806839133836 0.168174929685145 0.270984560177994 0.3313976633675 0.33392708307847 0.402417876629539 0.087962215065311 0.32197562719483 0.402650382581484 0.273207616674933 0.412338000454627 0.330943638795068 0.283819064374725 0.629067956312245 0.571548049836971 0.646809157178076 0.333387706001408 0.458243316536159 0.151431085950848 0.197437516783194 0.175346804642083 0.238620290030882 0.270165327335353 0.268904054214525 0.346891109261667 0.267424509148254 0.267978315051254 0.179924047647345 0.308206731871095 0.272737520713487 0.293332761604807 0.39357928258649 0.284805786663512 0.361467207133977 0.344052613506129 0.655251992175245 0.299373120943828 0.696957563047603 0.18281355329856 0.279178324974335 0.24839357778856 0.21137284758329 0.243908690854105 0.208340753821091 0.229879189030038 0.267737888529114 0.236609672850107 0.230196499013904 0.158069700265405 0.264204044760406 0.262583761733065 0.282006014998447 0.101014223048528 0.417121263772341 0.388444489477347 0.574667734199639 0.350138313008738 0.491134572442087 0.534109338792106 0.448993040002223 0.424443307083746 0.489150079442141 0.521050448083771 0.260920496450573 0.234142540137494 0.19616571682544 0.259935717315783 0.249996443350435 0.243146027573735 0.236888678186969 0.389813488286337 0.313781583078871 0.492037411133514 0.236362281162597 0.29444240657596 0.404344770759165 0.27556700925719 0.349792760862886 0.382957499517616 0.25635991584283 0.3211203069281 0.307656544045386 0.342263842041751 0.08318442355218 0.222489837002809 0.571000569662032 0.103695412103752 0.419175844679612 0.312273627611623 0.337207748211428 0.341913212866683 0.283497914016579 0.361988115173704 0.472691365562647 0.376733119362312 0.389432284792262 0.328293481787257 0.462785129796195 0.539828432274247 0.657631425569383 0.471545039409524 0.45458900803662 0.371515834333747 0.569524374026741 0.53981253257525 0.531350551736124 0.376542961152069 0.422225287628281 0.399672182590709 0.779411245115366 0.57886626261832 0.436763561771951 0.536844746251932 0.213194774471425 0.285230394591696 0.450259405645048 0.479906148680403 0.383762384823828 0.421769941568424 0.560903530091069 0.305971006698866 0.452485347760469 0.586002935937094 0.499633176045422 0.496081302672591 0.272372174636804 Glutamic acid 10.0885597552038 4.37170030268686 6.62145121485361 2.75723282374759 5.61348385465595 3.0798150330544 2.2930533537609 6.12439008228362 5.66101911749294 6.13827935204843 3.33771174003582 4.02082796830713 4.76552248354895 5.02904821422556 2.11722276871969 3.26850050977417 1.83129735172756 4.03025372075207 6.05466464029451 2.23479874749645 4.39251278062186 9.28054408782143 2.67063443350606 1.81304244192512 3.24849736688486 3.29270853621741 2.87739274371279 2.92159251604468 4.87522848526316 4.62999540160329 5.16040652758725 2.49605240692051 4.82567882356808 7.6900864187971 4.93003223692966 4.22258299672753 5.04238839423208 4.66689246613865 4.1202983857234 10.3528657077393 7.11793105124748 3.85389369249149 4.5637977267518 6.42843294121788 4.56902901430749 3.37457732551824 3.99225069984129 4.74166056502535 4.83725898646731 4.19070624570168 2.89350052373061 4.26726889997207 6.93732200112708 4.46923032405264 7.03346161442557 4.16291762173825 3.2400034236428 4.64686593469797 6.54208639828308 5.45195991927138 7.42201337726428 7.46738730302388 5.06003030533454 3.40164203378093 8.91322936157801 4.17752186876565 3.42743603032465 2.66321111031437 5.2397523567365 5.94980555450625 4.99685375156098 3.71833601002856 9.16506479130833 5.27542595739844 5.40125370671816 9.63014572709933 3.4069445162152 3.37381636826414 6.16079263629722 3.13493312698269 4.30738737088014 6.43136143440463 3.13136278774744 5.32904445695255 4.01460196541427 5.65160506338632 4.09452485788477 2.9887108988974 3.37289954461718 2.03242430834469 5.35598494104388 2.77597719791199 7.33866811346295 5.89770727760447 6.10097196620544 6.18053554576535 3.13260800814446 5.59420247373805 9.1407175262789 3.58305908958015 6.0024427073204 3.12462866363916 6.0564312162744 3.50478147918868 3.79865094899894 7.36145054831762 4.30357386383691 8.2152823217824 4.82688187335799 3.13533732351324 2.25346045424612 5.96848016373679 4.97823496316336 5.31722039957744 6.16369792925556 3.49928933810446 4.57798640972972 7.06403406841087 2.83256724118707 6.42110431742991 5.09467761843496 4.11802644396493 5.79210219079864 5.66369541632535 4.40007224395102 2.89549723332482 5.71980492781494 6.26788003205529 4.79340716185113 7.88878430854377 4.35692285320666 5.00405272411283 5.81421840469237 5.05227742580023 6.07370064427275 3.14709544329482 5.97203622614452 6.58643221339554 3.33947382292024 3.36188384638679 2.56885087741521 4.49001047181832 3.43662377880461 5.78612677902175 2.17387089520703 4.33615810607994 5.5581635639308 5.78689318858739 Glutamine 40.9134420555097 33.5183890991852 34.2579788353824 41.0212721111285 32.0899402721668 59.2260327396415 38.0475904622216 14.2139600296385 16.4578797508955 9.9360281803338 23.3538647637268 40.9236699264416 36.6221193268916 45.9357661178729 34.2016241054605 25.4622651802883 20.2739781492799 56.1884995434681 0 10.3333432070941 31.8999987174492 30.9108358804064 46.2241838701303 32.3702796905191 15.860613991042 47.7050633440213 46.2511342966665 13.7088443018772 34.9773908097648 23.0629080324898 31.833875167797 38.7839044406334 9.8501124123968 34.1275321585891 20.6734795879592 8.94676439644399 0 0 25.8223212294074 14.3986666450099 29.6891215033124 52.0352515017076 25.247969355631 18.8986609567462 11.3684182017412 21.2973523465145 10.419022152258 15.9103209116277 8.89822402423366 0 36.5995425467264 44.8230594229198 26.4716422501541 54.3957025792999 39.7944771361927 8.70827312219043 15.0462200015955 12.5389188102783 12.4705381305141 8.27790105111742 19.8217907646802 39.6860612416727 25.9036111764313 17.8889860022844 8.32788047389625 15.656571905785 12.8269370016273 14.9678524365849 0 0 34.4537386679833 56.7819264401725 14.2865499084892 32.0891950146791 31.2978061604483 29.1780074535278 8.73616851625748 18.1293231677324 0 0 41.2485706435946 12.8519322820236 23.618856659611 15.3012043068032 21.5700667372769 25.1087851801705 47.3113556621704 21.2233385617233 24.1170358839636 14.1317842736016 30.6176665254802 22.241947755913 8.9326039105892 9.11890229526903 11.5309916622991 41.0946671494418 29.5588989744862 45.8312353862328 31.830301699391 49.8531404670177 16.8261194432763 8.25451708225287 12.2357091120759 13.0280401235855 8.86821625692793 9.56874517449951 23.4335179451413 8.77031644046646 8.85877631656107 12.3185914503928 51.8470974587764 33.5903111921463 27.2469226879797 25.1800449094837 0 16.4383114905533 24.0299993905741 18.5436641377784 19.4323275797901 24.4143070779236 15.5465317551493 14.0566468954195 34.79403810651 39.0071680696691 13.8286224514458 16.1025586314811 10.1770931904186 15.9755618056921 10.3889134735352 10.8051958924339 8.00786393908372 0 9.03583625710736 9.56981340989636 0 59.0718544305695 54.2654577130415 14.5374502251269 12.5755483428746 25.5491906072201 33.5955356181703 24.5668864227354 39.6136515346837 18.6539512105191 12.0286021221636 18.3541928741787 21.404881850629 27.2705580650326 Glycerol-3-phosphate 2.64186515055827 2.25465103638782 2.10267239625966 2.01507396012205 2.07586229647439 2.03971649066115 2.11598680458765 2.0816533004475 2.1783708839777 2.20504123010715 2.61113414521924 2.03272442574771 2.2611606661644 2.14459503197794 2.04382789478553 2.1600406876128 2.27726950698647 2.40722391466777 2.21987907882636 2.1798694899757 2.49096471210995 2.01290337480095 1.87404030834631 2.45012519231222 2.1351147314405 1.99448035496454 2.31197537308492 2.50578172766406 2.04265901981955 2.10426766395799 2.22749148230203 2.77185542607815 2.12725874235583 2.64861950231577 1.91974452955839 2.44250907408523 1.88958300804535 1.99743704113261 2.20427254073242 2.03824437084126 2.49600973293568 2.16980011087646 2.20804853833808 2.10858887247572 2.12068908517285 1.94139599828255 1.8350894583825 2.08271594881638 2.56720945213566 2.38601364550744 2.43702388742703 2.04320675774657 2.31126247888854 2.11136105151447 2.1436707611524 2.32287828485091 2.14064992122739 2.11547149747959 2.16945115906638 2.02917197479267 2.14708039688015 2.36286204908295 2.26218029711342 2.33396892709932 1.86974728182057 2.08069299352548 2.29905805545855 2.1018766889278 2.30191188863597 2.22764661992584 2.46691913960895 2.39448706903259 2.2111071611441 3.09931636591184 2.08994217621088 2.28710215568743 2.21994868010162 1.87560673012604 2.18812122034805 2.05029989089615 2.03143625516793 2.16353949032617 1.99203302810713 2.08905641490062 2.0181856600537 2.28721281940306 2.3653814866123 2.46839742439672 2.37873405234562 2.99554428858815 2.12671146461833 2.21097595116272 2.45021847869295 2.30946695892824 2.17469408144129 2.26267984624707 1.90037995078969 2.07528036629638 2.58141458613317 2.02608238256797 2.46081565160011 1.88765923814472 2.14380142546609 2.1434710174594 2.05941762257431 2.15228856666592 2.17488165323226 2.27046642595514 2.0654479320643 2.85864340879302 1.96692194512307 2.07610701466623 2.36657947570668 2.72683153601963 2.16221077842893 2.05073751794634 2.08995133296844 2.01026473524487 2.03326616554152 2.0341826623243 2.07398965664781 2.12909505448371 2.09557325067278 2.08149570810672 2.21786183797922 2.12704588954319 2.14815323337245 2.1541291428937 2.10606840381094 1.93955375027058 2.02256366226143 1.79920800217684 2.23247027169077 2.26904721644068 2.14018008506516 2.30646192108738 2.05788054471621 1.79346860613206 1.99701961804626 1.9588425199158 2.18718667713939 1.8081890151634 1.96550210237191 2.13225514342224 1.94522914265261 1.92935954983966 1.77857519281938 2.13606844916192 Glycine 9.82419248456757 9.53052260905487 10.3613049552916 10.7142064014289 10.4118317009143 15.4012027385667 12.6814360530009 9.26564795881908 13.2325959175898 10.2039672748147 14.8745495909554 17.6751342057645 22.2345765354284 16.0450370575463 14.5345099397939 7.44535077533296 12.4643560961205 27.5236846644305 19.0246099369851 23.3000576083104 33.5072802941846 9.43729579525749 13.7151194398241 12.4723224419469 9.3935890254152 20.15834454483 21.0241523622829 8.88859199493523 15.2436090479157 15.8771397869459 14.8481811430486 40.9045286077113 8.59249179862961 19.2554959587821 11.8306641490324 29.5045467391609 18.3137901484185 24.1204870296777 16.017468243406 18.6569674187542 20.5038914128965 28.1185667269343 9.92592836188103 30.1331145894179 20.8140037627754 14.7755242564999 18.4849922583401 12.9778226792695 25.8228560717541 29.9162161463272 20.0017385770347 29.2871747516608 18.5842353214288 25.9450918475397 26.7619964498051 21.9668029673042 22.0050123591154 26.6042230013668 20.5269518538469 18.6728476377694 22.4239123460235 29.482087111844 24.3805138185342 21.9110329864517 12.6660338234283 19.809636608695 20.4517707175152 20.8621000041529 19.4885679716747 25.0334527896147 24.353116879783 38.643839724674 25.872552036936 33.0581714330019 28.2317042539743 25.1037391720832 14.4111934509554 17.7457350310723 11.6976718744146 14.7276316266047 16.5112429050169 12.4409640496262 20.8048675651762 28.8283639614217 18.0198195742739 18.2733678628956 14.5217719985169 21.6533211723777 11.4966029822348 24.4109253618623 22.1126081195907 32.6313520707974 13.3113350821762 32.1435458584289 15.3627189731946 44.7025898425183 29.7671156386285 21.1751859637121 27.0029134844306 34.698108997413 29.9621703060668 10.6316174153584 16.0726612605128 22.9035023203298 21.0781822196503 21.405953939084 36.690186874506 23.7373173268037 20.1077161443288 36.4136843990635 20.7991399813575 13.426004540183 21.9415813143735 23.3743893076953 22.1766543318968 10.728233086926 20.5490050361726 14.5459199596362 21.2859172811451 19.3108130989891 13.4873365388232 15.1225558488683 20.4452478276418 21.7819945105721 14.1296322850182 25.188085969306 15.0811973287743 17.045018143292 18.8661244531197 50.410478223569 20.5189561364656 12.3509313231251 33.0954356673899 17.9657185247467 10.5055388548601 14.6930504613082 31.2234401394863 8.89038643700195 12.3901922771674 31.5081262633 21.8697650814267 23.7980326550169 12.724347875135 16.6771195722968 21.2278537015316 11.5819612738043 13.7297479887659 20.9490455625324 Indole-3-propionic acid 2.32343108512579 0.827780834231061 0 0.57401992209468 1.11318452734798 0.215068748133685 2.05200145306135 0.617015363470318 0.462346507418279 1.96354486908928 2.49586427461295 0.82999050286912 0.722125049656523 4.53382055205581 1.49072028545186 1.32110398260244 1.35884072378515 0.432249307201996 2.79117804462857 2.63089370928177 0.990653405403651 1.12447832677323 0.375432413787891 1.40025171330043 0.913650346613758 0.726926592313504 0 0.507951416403357 2.17413381017361 1.2137121819091 1.77248505361476 2.6409373477371 0.643829922985828 0.534933719751544 0.682382228706974 0.752146622535049 0.601215631737262 0.860125547666972 0.763643877196822 2.28312203028108 1.2509102993036 1.09562062040028 1.19267838082177 1.02889269625858 0.957464233869432 1.59854585602682 1.16609140741263 0.887174003303783 1.29524136135961 1.04164227708601 2.73997198524611 1.36127004874171 0.327851374418839 0.916754826097563 1.38004435369484 1.28429698903133 1.49589494346685 0.811007502927663 0.353635068226032 0.390778238008293 1.44350029622044 1.71266926023914 1.6161267118837 2.35803807354333 1.0233391628115 1.8098569639136 1.67968113730062 2.32753146863661 0.634893708660646 0.882708413710297 0.946371502176037 1.17922420111386 2.13120827431001 1.72537044913822 1.61533141058327 0.691660267312788 0.493273702779134 1.38871343842255 0 0.552542467508491 0.308048098868409 1.20281153073913 1.95436570842762 1.45349164721622 1.15231635624852 3.24451971597829 2.82066607358321 0.432872834287639 0.358316923287636 2.34956413142839 0.430874491555678 1.7430438008632 0 6.40625621726762 1.48612354105372 0.454009867776147 1.69352691421239 2.87813745010002 0.387037785285559 2.61151559961516 1.25179607382599 1.74485379183461 1.40390926824233 1.16810239864395 1.38593301943029 1.21087792333883 0.613989823731448 3.5768079672289 4.70185012554459 2.43731582947966 0.914873251794111 1.02755156243998 2.1136386429179 2.17428971057528 2.02494785344156 2.7353338464515 1.07704678594099 2.34342144334175 2.29308845313915 5.46419829250176 1.52050142472759 2.67440943001272 1.86050016973333 1.25072064150693 4.63780901783772 1.01032945910826 1.30760404310196 2.38261072454096 3.4161546526888 3.69196075110021 1.32637341985104 1.28506684428655 1.23965555352376 3.74083288299763 0.636182962144078 5.56386253164057 0.259495361661128 0.620829684168953 0.775521594519425 1.52362299072859 2.63722031349591 4.22410587593172 0.854822565994315 0.742442674347362 1.46425672271977 2.18147553312456 1.1769315209152 1.13483802876533 Isoleucine 6.82199481501898 5.98881306295005 8.28428432656547 4.84118322049518 8.09165645624828 4.20989842279735 6.38950418000182 6.76117136932794 7.82134217352809 5.33690208766164 5.28508635071093 5.25086047769292 3.54112609924498 7.09946420025273 4.64239920920126 5.45088447872625 6.61721234503723 4.8246684902095 6.16082587882837 7.33903195448101 5.7015660143451 7.21560568430172 9.35660705915581 6.10392725907578 6.60379120251642 10.3841314725171 6.19928320072901 7.29760948433974 6.60212540826744 8.72142948025162 6.64724060175002 6.93617496593381 5.97616252843806 5.5034413661811 7.13147535935987 5.53650971269512 6.4597791531668 7.99869529491975 8.49735871065082 4.44616974382434 8.43874064352196 9.07542200147536 9.07417888261635 6.92134872188521 5.38692514042092 6.76374717077249 8.62330293642572 7.43283443815658 5.96928645838197 5.14944485935166 6.69392150960271 9.06222349361097 6.79502772607822 5.6529011038837 5.93129021675209 6.82090942388359 7.98971231503825 7.3492253506906 6.89489671140559 8.66198021037491 7.37015185119884 6.04394723715389 7.70371498820796 6.01811799080257 8.58486888771558 7.72458289025478 7.86633739375115 7.37570203742314 13.7090347955775 7.09182298929822 11.2629418717338 3.95499163764715 7.88498274564137 5.52772878747724 9.26622408332482 9.40537241249904 8.05765429067221 7.55126910728807 9.09166761264134 7.34056183613825 8.2841151459893 6.70216757545725 4.84952077756611 7.55772800474831 9.66520334175796 1.82468875449894 7.00282349446433 7.07922209268186 5.50338526174589 3.90513842261794 9.15546971882356 7.84113701816782 7.70283218212586 11.5598185343365 7.70104982248567 11.2442474718809 9.34637006352586 8.43706345447454 7.14293775498558 21.6796522940064 11.8524175482519 7.67265267002967 9.19844063955285 5.96614992877481 7.5016065422482 9.19269304598225 6.65033938797533 8.17385641056229 9.35689089569132 16.2587263839525 9.48519973620369 7.18532772021797 10.0145676027684 8.49302592399089 5.61731302950461 7.23818064542249 10.9131509173236 7.03053059296582 9.47434535096053 10.9792502385698 8.79384513366978 9.83316530991661 10.2407170828048 6.08488298065039 13.9622731169734 8.97967469132695 6.34511292280064 8.38682876241464 5.86462877423224 5.53442060861991 7.22971098915489 11.289448678787 6.73100503556745 7.81053787679368 10.3015186530824 5.12207993621738 8.08971980844045 7.40975763341193 7.84198996725699 6.93799220468937 9.44871539493003 7.17459974851618 5.60351909505285 5.53468268752537 7.1178878952256 6.37273419183578 8.5856194247332 5.00391895842328 Leucine 14.5893276405859 15.0443918654064 15.114320439903 9.96450872698465 15.2558041060956 9.66544127596119 13.9547670769165 13.7399057121155 12.4679167456848 10.0805205391967 9.90412966275813 8.6095759309698 10.2399042086545 12.1829074060324 10.2117684354908 10.1578971725561 12.0723951500553 9.81823667097708 11.2992741007381 13.3180168600409 9.31258826001726 14.1373398166082 15.8192346285889 10.9880813221102 13.8375898119448 17.4360128632192 9.75264768640835 13.3442614067567 12.7500763245788 16.4437063997512 12.0170236485873 11.1394933833438 12.4514575038539 8.47803341194377 13.7869265834062 11.913506282148 14.0330527160236 15.2500319156653 17.6664446534439 5.84732809834727 17.4613121073322 13.6094772153942 13.7763152611133 13.6367778835542 11.5135851665664 13.8210430459515 15.3625379992659 13.491004234083 11.7945262143572 7.60536856094366 14.5577335143286 13.2379031184891 13.7322982035441 12.4651753251214 13.9778441855124 11.9571385382549 14.3464630944874 14.9824454045161 13.7585418932521 15.1523602314951 12.857477868516 12.533609008047 13.8552742876845 10.1723624577134 15.3384281012453 14.2844231201891 14.8460835041462 14.9750919424 19.8570678113266 13.9498477288196 16.2358333864694 7.90902171195154 15.1737697840284 9.07910606835723 17.4770215922698 16.01038300038 14.6705674036517 13.6160599885666 14.9601899739718 14.4572649398685 16.1601673684316 12.2031418869166 10.3268667319806 12.3131766686724 16.737355155381 15.0653359377667 12.5727167591124 13.5856934673641 10.6772442042079 7.2844970004884 18.5780038698121 13.9271143034281 15.3552525206633 18.8210505499416 14.0373486717895 16.2731547392272 17.6203849539653 15.8336348529021 15.7696960795609 42.3286358841477 17.4297509612296 14.3444925472681 19.612963519025 11.9831690184695 13.9119229389114 14.8703125417206 16.1083417010758 14.7969667948408 19.1531837195161 26.4214710804531 16.1916707593109 14.7071007899848 14.5741135811346 14.4143388899722 12.2549529003804 11.6371109308083 18.9736179674088 14.722359595412 14.5849116546716 20.1505288578019 16.0689177968792 18.8645297354706 17.4382814673211 10.8171146929894 19.4306624431258 16.3463926953986 13.1926174275508 17.1265693552955 10.2242720691872 11.3682206425223 12.5349339806487 22.7943913281411 12.1814611182198 14.7583432387773 17.9847986876821 11.5920688482671 16.1369178594485 12.7560253185398 14.7662253045737 12.6073991655833 14.6214495883206 15.137624220775 11.7751073850375 10.6173708029587 12.5983189329404 10.3988142611133 13.7653549145165 12.2373108136603 Lysine 51.0155129149694 40.4027413744302 72.3491239360672 16.0703674864117 28.486709551677 71.3348393938767 45.3857833587469 55.0202992234819 40.6203235751002 50.6087902750279 58.8751059296924 32.6591540698558 40.4845331393712 14.183513850548 48.4751088283927 31.7447446543013 38.5131638263209 41.5857967398325 33.532705117178 81.795650303629 57.3137617856764 50.2835975825132 50.9068828256118 50.3213574720285 44.2718385798949 41.4403497935818 42.3734971061385 53.2956116093115 33.9135450819745 56.694996458895 42.2940548226275 36.253871276307 26.9036509056734 54.5803826648531 32.8570803108725 31.4809776099654 40.0388010868184 19.7783158194434 47.2445005295924 28.7940082252541 54.9261766348444 33.0600387291395 30.9833171791148 35.3829355303176 53.9664533243131 38.1072886867618 63.4183663160861 33.2321065802861 86.7865432474964 67.0098651150527 49.4998498442365 29.9427414447081 36.5344809090032 53.5813346491827 39.2350811731097 45.7448043497355 60.4002398453386 49.5328327662752 47.6543382082455 37.620824914177 52.1282866666313 58.6429469048725 49.2899990953743 30.7336401847711 44.0008969096173 58.824779940039 60.9921694221143 45.2939902925597 28.4579444743305 63.7892867132926 49.5587360900128 35.7656501414844 46.6107784784079 42.7016905406558 37.2658363933934 43.391420956438 48.2900272741932 53.2745407173215 62.5931351400359 37.6836020062736 20.3742668282795 35.4509656733739 40.1341768217594 33.4569786880561 33.8483059423167 49.4966905573092 24.8385798665474 72.0397194975821 16.4551772101273 28.5420312381151 37.8149872730455 64.3040489408219 51.1732852764877 90.9486084998551 45.930170131848 37.1561608933041 51.8556648536261 27.9065576359697 40.5043337763001 89.9697990666648 51.7343903815268 52.1201609380004 40.5106084714458 48.081279294503 57.871007416349 40.0050589723984 43.8904947942363 38.5033855528479 56.3510823870426 78.8302026370083 34.6127611420004 27.4571667424583 50.1238618827479 37.5937383454905 31.6773391430127 37.222631201168 39.4868168775829 51.6491924202748 44.3739391107279 29.5582471390967 17.9525649713901 28.6042328669442 27.2125334345539 26.0514324029451 21.0702838584291 46.3048457318534 15.9161593001383 54.0889737448097 37.3983768495574 23.7041578849219 17.8490108465986 20.1992889283373 11.2148623128729 38.9743548153396 35.0445930613094 9.39812161688137 23.631476287357 8.57672984001961 17.0540836461896 14.4684684632589 10.9807681658984 13.7922683702349 14.4898500676076 14.1770902896636 11.4366597383705 5.30787490357488 12.2732606751411 21.6742167577665 Malic acid 1.21884167759038 1.21131160863613 1.18006753183801 1.35675158785924 1.6166705956987 1.65314121374338 1.16063828776183 1.28863067849664 1.20729442744698 1.28753061882676 1.27475195394846 1.12362318419816 1.28482348055726 1.56072640802238 1.45722582332045 1.20687147877433 1.30580154292475 1.20341739285586 1.12905613731621 1.29264410340484 1.11243590323883 1.06318451414837 1.20448687243547 1.14261175611221 1.0732872522117 1.16901989264577 1.41188190478745 1.5733557550648 1.09327893367817 3.31285506568608 2.09212953476722 1.18999738355052 1.33056204262385 1.10565427136281 1.76678546461334 1.96930654653658 1.66387337937109 1.18644854370323 1.02784082088623 1.39363350523253 1.27018606163905 1.58417159822484 1.28732229181178 1.44008696569785 1.30653380283982 1.73589852322834 0.937876305562067 1.8492924191679 1.54319998286407 1.77975177083388 1.34016905097464 1.39940356119768 1.08142560084497 1.40455114105703 1.03049113566022 1.44398105365037 1.22709232758357 1.38049168401743 1.07525474409164 1.26871166920558 1.46016121522831 1.7428455522146 1.58725483681231 1.32105868447018 1.28609556337784 1.23104524042856 1.61128849042102 2.15790079674234 1.40537252659072 1.39726171758504 1.0874583303818 1.49362247225507 1.18977275943197 1.68231338305254 1.8590922224621 1.3945036632831 1.43085372250221 1.419497212079 1.54650437411405 1.73769872206109 1.03080122711222 1.37200633108584 1.38960882411741 1.58188123917515 1.90646643647544 1.3881191991665 1.63572713084648 1.22192490263861 1.26994273553897 1.31780443158346 1.36845338098935 1.10839392620683 1.46689441464078 1.34488788790947 1.98107776095906 1.18953442459187 2.03669885692563 1.52284547122818 1.47089977698108 1.25706546058705 1.71605029434157 1.48389295090371 1.18506327355554 1.26983297047073 1.05615539023843 1.1909361363047 1.21901468392538 2.50014515305632 1.78072957079136 1.05089994740712 2.00885081972864 1.32369917631564 1.27286995221652 1.17126788246037 1.42138523876544 1.3003540529747 1.52481196796095 1.11896732354969 1.16533518706448 1.51769862905435 1.37273783350703 1.43081308243978 1.40641498320289 1.20713601329738 1.2098510858095 1.26810260823044 1.33799643403399 1.46091798286984 1.53283796719427 1.38078420232921 1.37412249610065 1.74234469882994 1.44152399506013 1.32017045493278 1.32304650160638 1.19234290897697 1.14602256612748 1.19882890910949 1.28677924799922 1.22850262116825 1.16184601263882 2.04582841945981 1.14255874173531 2.41877572061286 1.17737190022677 1.17424405724432 1.64719312680702 1.16821768416125 Methionine 2.89936770186701 3.01882620593044 3.43726127391073 2.788775347692 2.62690185048198 3.51279934561843 3.40380256310293 2.67763486108575 2.65028657370138 2.64407236762365 2.50681382075215 2.75540333429852 2.28112551459073 2.34403104735938 2.64577402541346 2.10988098024223 2.55436490504246 2.86194218721096 2.42339262890344 2.83404840886744 2.64130607310479 3.35038900290115 3.44482173052407 2.9643441036046 2.20878638772211 3.81714490173073 3.04303542686753 2.38117945519643 2.55837181121342 2.96704586299842 3.02520800474329 2.65081454391224 2.13299142931842 1.93527586125702 2.7191244647515 2.4982833000564 2.21289560630514 2.51152897399556 3.1197993918014 1.77502438930841 2.90968152858303 3.5665991390749 2.5757970865433 2.00491065929054 1.88583528470879 2.39374357004406 2.6993585574865 2.24992649458138 3.01561414167622 2.08183956127864 2.75158324813876 2.96448422620814 2.3070244217012 2.92153227336606 2.31782766782662 2.33786537735749 2.70835226087297 2.58429757676014 2.33988982920041 2.42074961641091 2.47905584399986 3.19357645111045 2.39823679161195 2.23120539615647 2.43721507380581 2.64703832406637 2.76844585209115 2.46500782536103 2.96358820834561 3.40057104164324 2.2863152480911 2.41343472569206 2.69955074396218 2.22464511219925 3.14867677808321 3.09970950149775 2.60401885592954 2.32338509037817 2.57379172269869 2.38950868870668 2.44453876856357 2.04034624290595 2.18887338117713 2.60166691566724 2.469286590179 2.86309037554907 2.63947484283395 2.83352361697011 1.95723436817622 2.39053322862215 2.53384783804254 3.1512079935327 2.17889004457019 3.22776871421298 2.16390181144773 3.32050256960664 3.2904297315462 2.77450209494799 2.85371508113144 6.5366030987228 2.79352268472065 2.73418020098837 3.19215697861058 2.69174489859022 2.39999756721608 2.64044299415687 2.65816331555569 2.30311809059278 2.88647355063748 3.91496870773459 3.20803150792903 3.14293240240069 3.23850598114592 2.43214826946398 2.19018112634036 2.82086397959197 2.97759953439499 2.62679289388665 2.66426190446352 2.60934867047286 2.04832578621694 2.46437928790866 2.81855359876662 2.61334740290733 3.52426559566043 3.53095350050222 2.36862189320108 3.03411258765442 2.10052503665022 2.35215327003663 2.04425728816131 2.64850587766904 2.31051862841942 2.69436137573268 2.29028010745898 2.0959850611486 3.43654305206751 1.64170560872938 1.99676774214976 2.39387912089506 2.9478745233104 1.87567870372453 1.97408016147404 1.99879864339131 1.80787019974273 1.75275512977176 2.34237605959749 1.89160515286977 Octanoic acid 0.827090963974515 1.67311194644116 1.33773388416019 1.07676415706784 1.00624044679803 0.456077391438421 1.56960275229817 0.811974069661211 1.38971347976763 1.21906888725527 0.972469977357868 0.601176632146804 0.314737864860906 1.26601169986487 1.32849985528203 1.39280309186068 2.31401095768704 1.42597068769975 1.63905434926807 0.886869009065641 0.41984477354616 0.859964268890831 1.58915604286097 1.62528557712058 1.36995988775615 2.05677770230783 1.09935588955093 1.51399438127986 1.05683927094871 1.81074973357906 1.76194553039826 0.903348101758825 2.11697858059073 1.69819397175496 1.69337646768142 3.19862723301729 1.87084100077663 2.15804018111902 1.65674070230235 1.91977876616263 2.03491220146787 1.09164771564094 1.8786240645054 1.90811820968596 2.96274879896793 3.72597277465949 1.75754948591144 2.29347766013453 3.02752127950439 2.78341495920888 2.30687679771047 5.08496425876118 2.36448021012649 0 2.57981365209123 1.72434173589837 1.88675164653676 0 2.14854338966274 3.4846277476157 4.05274258912734 1.96781194419693 2.41361284533319 1.2429929192112 1.96460073782814 3.9432736450672 3.72181449715437 3.5881184909233 3.97471207109608 4.04132819557509 3.61729570347929 4.72503653349189 4.70207884556201 3.37157835745259 3.77840561504456 2.88950458362301 4.23087180699279 3.44013433675654 4.29937838681422 3.65354674581561 2.85158222589873 3.67045453624322 2.49282210428404 2.52258322114317 2.91701273668805 2.78347718771518 4.9471305725387 2.30497386618101 2.17158815673055 1.92444974192413 2.14851049652159 2.80048718031109 2.7679923680937 2.73548008989471 2.866947595601 2.28234394165596 4.50024435502218 3.23914609338336 2.36025607502536 3.14139273725355 3.05312240576997 3.73884396934158 2.588473098538 3.17902924893957 3.2683133620156 3.18741596481637 2.09411995171371 2.71587309147337 3.19211906435339 3.50300144186559 3.33256236590469 3.14565998928641 3.91393379142602 2.7950039783093 2.91623307486419 3.57844845755992 5.46102029167108 2.8938585127791 2.36703661190911 2.00694135885863 2.1056644742361 3.58155400720833 3.30451557772467 2.10908958368639 3.3150771168118 5.15425638801314 3.14401479339841 3.48802331237111 3.17285031022351 3.11471565910288 2.61112275522601 4.38038557313368 3.22109776099148 3.33044431988053 3.74318277786985 2.62406733230519 3.5388873941328 3.09133169837962 4.10013045760733 2.68888281384488 2.08099336688213 3.63338300590013 2.72997841932653 3.15292544608616 3.34209479024299 3.01214089586671 3.6067188103922 2.77597089741932 Ornithine 6.3175137221618 5.38367210296283 4.99319145586666 5.5978513159079 6.94524629099342 7.18154953001384 5.46917553523221 4.2212475305954 4.90580477167144 5.42039571690405 5.30632440365926 6.03662948037512 7.83584691663028 6.2031131537044 4.39843618117627 4.75515687825603 3.77033935134786 5.81310648648027 3.63627674345427 5.17429721003815 5.60775689362087 3.99637878728016 6.1019436713973 4.06292279834501 3.90878678978486 6.81784209698137 5.15601651428107 3.42472792189183 4.49479286401802 4.56670319327042 4.40624112494963 4.86620092227604 3.39039315852357 5.16503432444117 3.59899859935288 3.07281891905615 3.4667925555472 2.9715237813255 3.90812969582351 4.68014662424409 4.35630143036032 7.59445303911376 3.97367544501887 4.23713590913987 4.42319865390824 3.60752791645638 3.34356583602317 3.68700954986256 4.19833449204034 3.51592337499006 4.34523145065701 4.84096507425798 4.34587729408127 9.27625297361548 6.41569981212474 3.27771660336974 4.21437200147379 3.39408030383862 3.94166699959145 2.92241555408907 4.16720496584131 7.0856086166165 3.90734733130095 4.25072257054616 2.8786432263082 4.11463958834766 3.9901945443255 4.40426483230328 3.43352597960874 3.50370813785539 5.94912586730117 6.6876408117638 4.36112147973938 5.54185876854378 4.34399992474704 5.81430163883848 3.16986287835853 4.23911179449307 2.94844729232039 2.84334396427889 5.56666280100251 3.369389750254 3.80395483273608 4.19273447614408 4.27320060428701 4.34844369180578 5.12133707427672 5.26622666864971 3.50257694025844 3.69112695626315 5.08651696000091 5.71139327412492 3.63250583992979 4.09941756527649 4.67072040100935 5.3625694056785 5.52192598165229 8.29636821493072 7.14273921100918 6.1934159262021 4.45852272113157 3.23291924205415 4.27505238705907 4.01863188056855 4.09987360046065 3.89536268213524 4.65709168634234 4.36239662180733 5.69400255342226 3.98853107061772 5.08907962986101 4.44813410867353 7.12467694281303 6.33827450444829 3.89079878414234 3.67274883661262 4.2815213252594 5.08169497464085 4.7235530904465 4.79841696660328 3.96747472161625 3.8047217816775 4.32615442061787 5.77182102193491 4.53136843604969 4.04376899550859 3.32925668141232 4.93340988997941 4.23485160374421 3.61169275215046 3.10838450674077 2.95411324010873 3.97976519535281 3.6970309463691 3.06616137178229 5.54922276379688 6.15100240145723 3.23789462807921 3.3001888010134 3.98080880651467 4.74165714916195 4.64542897176873 4.62080077536301 3.80086463089226 3.41355091179366 3.49260079661658 3.73994774156756 4.93469641242542 Phenylalanine 8.39340176449356 8.24790080093111 8.41205755213805 6.7076058706701 7.35166048638098 6.62221728938062 7.45171516608958 7.64167784544376 7.35938085270577 6.88564179998074 5.72184438635642 5.68369975408428 6.63976572141182 6.30448334365971 5.68240821035881 5.98584388573224 6.25840953931684 6.75065924697189 6.24654596099177 6.24087518301277 4.91184883274558 6.82259049744528 6.94262218517628 5.56812788528355 5.56674662923197 7.24535097279166 5.48331147501767 5.89379648640205 5.76660078188724 6.18850692661426 5.66871813382046 4.70245863941765 5.51553528460334 4.30519701659537 5.67161858928733 5.31349818962081 5.79251730931871 6.10286486648342 7.19526446924646 4.55769766560494 7.50099884356345 6.16131905152555 5.29822695331798 5.7452375980706 5.48082234307598 6.01111238712912 6.14126992737993 6.0951337001998 6.79707595992275 3.89765759496268 6.03018178830423 8.20429557740953 5.7732014603292 6.7440776366733 5.79293642555344 5.28553626518015 6.99306680783595 6.3447818568399 6.18857474509864 5.5955952189917 4.97139151835439 6.79266272398339 5.43882056255576 4.6151855512284 5.67531750999903 6.120717622934 6.38028669034228 5.59855644298173 6.68567605615454 6.50492269909336 7.50578021992298 5.77460602606373 6.12875994770812 5.44946663427287 7.74295460342843 5.56729409651141 5.23655506027209 5.90414334871079 6.30207437626199 5.65628962468126 6.51484436516911 5.73544314299158 4.52705640397104 5.23518123799329 5.92400769759423 7.00624362661995 6.59563952453199 7.4563211454946 5.26629472679619 4.56284325993362 7.84279074036972 5.89992918658636 7.87445466208759 6.48848981613214 5.80779604351298 6.75839557501142 7.96677746956258 6.70964796472805 7.85418769970188 10.7558968471221 7.53836147538585 5.73608075699638 7.70924011709179 6.13040113563043 5.68255198179626 6.80752379142203 7.66107084654463 5.75965550088373 7.43863494441607 6.99175519813689 6.234034063688 7.43958016014321 6.60723321140377 6.29176606812564 5.76984227280783 6.33072729082996 7.56378583076532 6.56628423933102 5.64717044641479 7.10221639517845 5.99365027978694 6.01295704176921 6.61989916856545 5.56974205947688 7.5250551076497 6.69013056793697 5.96553957180436 6.50624915260601 5.29900770188016 5.27930619360565 5.52338389414535 6.83310825526994 6.09902461550096 6.30762755779302 6.21677173270655 6.60114699265655 7.10886373850053 4.22003637928131 4.97957907850496 5.50033771951833 5.92128936865571 4.4764083587757 4.93014208302604 4.80796678165967 5.56966301963999 4.49207236089339 5.13025037147837 5.21868531768975 Proline 16.2418084367677 13.0169606399773 17.8585673373071 10.3467041969579 15.8935576704688 12.8422705175275 28.3139526899126 16.3806513989897 23.6318130278742 17.0727360907413 12.4811301697621 8.06624794241979 13.6869469565885 18.9791717419814 11.0068375609415 15.0337987524335 24.7090452454114 13.8394758247408 13.5515803559867 12.035017843847 21.9126802483333 19.102755142707 19.7185035388159 19.9149137834622 14.177291908623 24.1217426944153 23.7142621659827 14.0039788104395 16.051685842761 25.0336845589797 19.8176516784857 24.9854877691652 14.3002343679808 11.72230818577 17.3762498529711 13.6322500432057 14.8754704753594 16.6010355816579 19.0171819395572 8.34249573674387 11.6004808879918 17.3309540757841 14.3263377687672 20.1994762514241 17.4333379553483 15.9037497809862 31.2006723572099 13.7118891606794 13.4578169152082 4.36985061674411 14.1171281596278 39.2132240928751 11.9288971987283 22.8890167813669 24.686541893123 25.6908480000501 16.1026760663161 17.3563011539423 11.9686153318534 18.4050578246629 20.2125892203478 12.6252176459178 16.6283114370307 13.3606632406501 11.9087128321611 15.6820073711432 11.8657183612135 15.4733967031088 17.7426722630537 16.7236960463633 22.4564695989501 9.69219736034849 21.5069100075198 12.8658419369991 23.4184752249021 16.2404915763442 9.79521647676537 14.5197494602149 12.932370107062 13.5159635080384 10.8145171584532 9.75432490750645 6.24365122795394 16.1342085688119 19.3714583348359 10.8970163961333 11.0391889190517 23.4247286263871 10.24563774003 14.5157180296273 15.5580993986589 11.458578555906 11.3027647124496 19.7018565896453 14.8785216353745 36.1695749099938 18.8853789992699 13.1164761343729 25.8493296045074 68.8397821177796 23.0075887854678 14.1057676841402 27.4818922810938 16.5402979303159 12.703411021776 13.2597310822956 14.2728410445762 14.5697023055296 23.2076533562133 19.3985192349502 17.8639835106352 15.4691434807975 25.1935979332522 19.6126751149388 15.3973347132812 12.8416176417217 31.9824969657811 21.526351361794 25.1466957344738 16.0930546877944 10.736602403606 13.1758535539889 32.4220764455748 17.9059239298799 19.2659296495534 24.7816440459906 14.4879047727651 21.112927601343 10.2692128324361 14.4442496729617 13.924827264525 17.3159689959348 13.9048036524665 17.3551850769201 22.1885588756077 8.90462190022691 13.8530482232906 10.9383606259198 11.0249907532395 18.2260516976289 9.56186811445838 17.8206991161616 8.70641185004424 11.364018163259 12.0003591308654 9.11293771126987 13.1735346121666 15.4416274221819 Arachidonic acid 18.2137339175826 0 11.6876150299704 0 0 0 11.6552344225408 10.4561792288388 10.2423483144519 12.8038451148648 0 0 9.3278231270873 9.03049953179545 8.76007995909027 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10.8074599400708 10.7921179254036 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.7497752929914 12.775528459122 9.48085811312735 10.3369580772548 10.6832435514741 10.9068607023095 0 10.5573596895091 13.0016571928969 0 0 0 0 0 14.5777635974205 0 0 9.36535763217495 0 10.6025825374529 0 0 9.42776935759677 0 9.27380753825076 12.5860093836602 9.48633113106192 8.94219539913899 0 0 0 0 0 0 0 0 0 0 6.35179099780661 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.0761945903581 0 8.75885648736869 0 0 0 0 0 0 0 0 0 0 Serine 10.5179657712702 8.8004415778883 9.97379922304572 7.81810962541292 9.96214257042466 7.95985455581141 9.52572176751739 9.06110044289624 7.96413764412618 9.47232026172951 5.93698845661639 7.63415850826504 8.18141749879972 8.40787768594712 8.27001412996533 6.40319880120106 6.80582199371942 8.94761173449118 8.50175242880278 6.1614159004873 9.28430878166604 7.70930155461452 9.4707145397536 7.18592465289524 5.23072067669012 9.58721718054982 11.5921356363137 8.12060218566718 8.48509740726462 9.12602667556444 8.887500900323 10.0247607038273 6.33140884264699 9.61234752805584 7.30280339991829 7.64303600110045 7.41785776974468 8.86887492385722 8.93812179485718 8.87341845829853 6.92014532510335 9.89935048493611 5.82565436935037 8.52298180614101 7.21477204800147 7.33124689195426 8.9148109721797 6.3669232548451 6.14136877235758 8.20422626650213 7.07615882668843 8.12932946189247 6.32798191190127 7.94318586865069 8.85941347175496 5.87128510698603 8.30919867470946 7.91832251107905 6.45730803453902 10.4654464989062 7.70557990709763 9.71612449397478 8.12410092593128 7.40054782244683 7.18860046640543 6.97407738850998 8.46959084275204 8.54048347007277 9.34088873204893 9.76699824780266 7.29394312818637 8.54658583054528 8.47178225614426 9.11794759202784 8.3665634114878 11.2363178994253 7.16821994786873 8.46442897977811 6.42544493984665 7.29123985661337 7.35018362290378 5.96714377080991 5.88640461231523 7.72057163453681 10.072285114213 7.38620870998289 7.21292491985287 7.11605038813287 5.49468937008423 8.75662202961811 6.85287876606299 8.83733542913176 6.69456230959535 7.11183379110972 8.41591833468439 7.80320696319793 8.0827462479081 10.7243577949853 10.6396757898355 12.5924635913356 9.93521052994747 6.4165645161804 8.56291941834397 6.75520643760571 7.43365722117295 7.3647313420006 6.53339637645998 6.76761558374812 8.45131786286153 9.58806639495447 8.14053815817732 8.73937288100005 9.63745986485196 8.19502120760764 8.11560062372531 5.93939255869978 9.49031062675069 9.90939878584448 8.71306627475605 10.3308559439225 7.87101151955868 7.47091548658823 9.04953697016991 10.0625965223531 9.62534445828553 10.1083149391571 6.20315085298715 6.36553454055504 7.49679436778782 8.96877415777401 6.52532875610434 4.82236645361217 10.0946937549617 7.76353588365105 8.97652661632622 6.58858174146771 8.54229758983566 6.49313937526018 7.29785123740405 7.51920060120658 6.3186432976648 7.96502470860925 6.26883238544017 5.03323779818211 7.30046930887059 7.64619636152023 7.84631816895263 7.35647144405112 Succinic acid 1.06223328541318 1.08000789687642 0.598381234116381 1.28166150625439 0.758143916148183 1.03358338302844 0.499768653933304 0.712042112845899 0.896057037250773 0.9646226674121 1.32769703241133 0.88190315934783 1.00148322430424 0.989093823739539 1.18721301561301 0.855631754151589 1.04145273032895 0.973232879308791 0.997003830017433 1.0909865791896 0.998282347294237 0.663954580776347 0.842040104992064 0.899518713729877 0.906669962500521 0.815920188809599 0.87975611970837 1.20225849480304 0.866946837205684 0.778037147219451 1.55713446999486 1.07561490895881 1.42469676439514 1.11751021194204 1.18680461497658 2.0462567389229 0.977175752635732 1.38951823928965 1.23615456313454 1.31360155118842 1.42978457223494 1.27578786759139 0.675311029406054 1.18494788323001 1.35218081066508 1.357160632569 0.903207356051009 0.816181329321264 1.60486834986909 1.29537030179819 1.07606079614447 0.91404552496385 1.10886416244385 1.31915871068947 1.02762041028389 1.36058241030764 1.21502667631172 1.53815483579899 0.946708790177345 1.1629916817242 1.35208993035163 1.6644131485784 1.66761240555692 0.639706121763843 0.936399333045755 0.98551474313344 0.845348373856715 1.6539192183537 1.36808760539479 1.11141445417813 1.18886235686074 0.833464843790118 1.11640219671952 1.54581164047147 3.36648154993126 1.03085022722223 1.49556151101627 1.12183980829574 1.40427918416787 1.33745263292594 1.23094685536912 1.19893036348022 1.61953493989445 1.22611212038239 1.49960457033866 1.05500792847038 1.09214144453985 0.839763668209848 1.0789441763981 1.16686428906457 1.59345935496607 1.33617866458956 1.45063819901055 1.39078642049326 1.09796925085014 1.24918439966557 1.72071030598668 1.3233519334642 1.17552446050149 1.32095277271794 1.63322276498927 1.26170862708094 1.01611480712593 0.700118987257909 0.953900583483098 1.28953551658558 1.9659167501241 1.87437585791671 1.5243061959968 1.36089472207258 1.12857293091975 1.02296153858537 1.42065349601409 1.13803223820512 1.94643366963477 1.28203674038402 1.20381952903906 1.16743519134615 1.32583807910292 0.816398108014037 0.810443652840771 1.4827692559355 1.03806663982521 1.43767226716748 0.936895674635814 2.11046580550106 2.02611259006505 1.59567169554208 1.52642261366144 1.3543234470954 1.24156543562771 1.18460835438558 1.53433503817862 1.47356144215928 1.29406323942024 1.3521661253589 1.88619418492666 1.26640339436532 1.15894779727425 1.71776081994477 1.08233897373503 1.60427778659439 1.16750780783886 1.7042266705738 1.35528342207573 1.4768713289706 1.29525992201941 0.568354417549823 Threonine 9.67416558498933 10.7590208908642 16.62757618142 8.88279758179475 9.46269183892834 14.1918225883777 12.1398348115006 13.5334301012476 11.4072625500197 13.0058448383806 8.96481468643008 10.5709014038847 12.7472915582382 8.74487673937768 10.1289938432543 10.3965473345642 7.43757128490279 12.5512781383147 8.17595682596701 9.37231362395294 14.3597211955902 14.3380726170216 14.1166931088742 10.0651239092586 11.4395650072506 17.8450243032936 18.6630310683314 15.0131477816768 11.7061759665637 12.7851098023858 12.3782898295126 10.723766760853 8.95151151800994 13.8868432263082 12.4976428638744 11.9825123528673 8.1844591357644 8.31900199301364 11.8289398199959 8.51123053053951 10.5320149645553 19.0699106329828 8.70432285995066 7.86624448557316 12.2901210610215 11.8505238107374 11.3160705868448 6.65125933888059 10.1206448167822 10.0096628403116 10.264405495565 13.0881531893066 9.42760537427709 14.6109753304723 9.40203717440408 10.2537784308545 11.2787420836324 10.8220659048173 9.82179911809942 10.561844146623 10.9224306423477 10.3222005015832 7.98301692527792 7.94064395394434 10.9203387744356 12.2112894639652 10.6206334845019 10.7825195134919 14.5085622988326 16.5216736489731 16.9246231560251 11.0686424481566 10.1492779868811 10.3223385971959 11.6386416005061 12.9345844048202 11.1632020943904 7.93094005114738 12.3573570653877 9.01316581764442 8.16685009965291 12.3258811191216 7.70137270863951 12.9754178067729 12.5577150140677 7.04749882063707 12.4740472217026 12.5716860015355 6.56041903146943 7.48338930718956 8.56784728082408 11.8841700574243 9.00386553020597 11.2878035866451 10.8981083176258 15.4953795551655 11.5805389038313 9.92227690382723 10.1353775940696 18.9162503469987 22.9780867073952 11.9737422632114 15.7851824466333 9.23706080722514 10.5376542080939 11.9288938942593 11.0131067222779 10.7581790341805 10.7580111007545 16.0783353480903 13.3041954788581 14.7480258376491 12.9756395201976 8.2770211857868 6.30141899261632 13.5302776422668 14.0800610803767 9.65098524098919 10.603153398868 11.8820132822726 9.68153756177927 9.01081522648748 15.7154554978715 12.7846270986195 15.6097964606809 14.8064963155561 7.6288293419919 16.1093170392588 8.40316020230751 10.6207615152268 5.92751876535771 7.285822758316 9.2683568525253 10.3438611274761 13.3483885828664 5.69045563307165 12.9125722688978 9.35282758308369 10.3697059350291 8.65646639334954 7.25176109558134 7.13026850194637 7.93112389378364 7.16511897984737 7.91185693694072 8.68087208819539 14.1343303079365 12.5265589055517 Valine 21.0520133404862 19.6313694349796 21.3448925949565 12.0824097247424 21.02868467499 15.4949637423931 20.0993123100284 21.7990069598222 19.3307560360021 17.394566841665 14.9472986825328 13.0925622606735 20.1610111823878 16.6014736943449 14.4602957720042 16.5227924110153 17.1323220254111 14.9327868118026 16.2375115647192 20.8762576504581 14.7138032331221 19.4658972813291 23.9464073948751 17.3376534762526 18.1625588674333 26.2417958890694 18.8041214683649 18.4085869455514 16.6345162370933 26.4327936643396 19.706385583391 14.934390719579 16.8733491405488 13.9710167617353 17.3149624544125 13.72769229158 20.4369486259127 23.7239764588621 26.4609556395203 12.430872213114 22.5504615236157 21.0536759647986 18.1545751349936 18.2162076279575 20.6097625747149 17.9778384638508 24.0772029161992 19.0127870635382 13.0243261420369 10.1052152911495 21.3612547996984 19.8175676155767 20.8171865342172 17.7114185554659 20.0317167285666 14.3651271177221 27.0957806361883 20.5066066837454 20.9847137907452 18.9006835354846 17.4442093242098 17.8855326553895 17.9258214458652 13.5734110555499 21.6848851134843 21.105020458401 23.6110891595583 20.4774316703909 28.9721897028414 19.9067128766838 26.1892076704094 14.3502959156068 21.1506597139457 16.1271094890428 24.6013719608783 21.0135271733158 23.7062304945563 17.9512672595911 26.4445347194387 21.2152254566346 21.0915408493286 18.0507939360644 12.8387667862131 20.8311311475482 27.3939033517187 17.6525175959911 14.7376750204123 19.4999206916972 15.2982657346512 10.4119338333605 29.9245605968993 15.2661843159896 18.0318877781003 22.6007778890906 20.2346619021688 26.7806612137907 18.9314829661446 21.9412333648585 21.7873138433372 50.5152989292065 21.4450051057246 18.5553343388949 22.4926254852375 15.6863495709104 19.7689720949889 21.8190043490162 23.2547572477275 22.5119111724052 30.5350917951461 28.9766906808763 21.2680669021986 18.6963109145643 22.8685411181958 19.1762836970019 13.4347212718043 15.9794643633503 26.5604643985995 19.9401207375561 22.0801930836598 23.7691914517068 21.5275679150453 24.4936203245777 24.6839716467474 14.2654632010379 24.9225970389137 24.4730479806455 21.0082178552315 33.4677963566639 14.5771788719018 15.9237712043664 19.6803761892677 33.653316646586 15.7620099318362 23.1744421432984 28.7127598721019 14.7622909282072 22.4856640284056 19.5229732490837 21.7999937885911 18.8883533135954 20.4457049208279 23.6007891939986 17.0681683709592 13.7592033617285 20.8844705310486 16.4415397819119 22.8717676197256 21.8473292972506 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem.ID 2-hydroxybutyric acid 11266 3-hydroxybutyric acid 441 Alanine 5950 Asparagine 6267 Aspartic acid 6267 Citric acid 311 Decanoic acid 2969 Fructose 2723872 Fumaric acid 444972 Glutamic acid 33032 Glutamine 5961 Glycerol-3-phosphate 754 Glycine 750 Indole-3-propionic acid 3744 Isoleucine 6306 Leucine 6106 Lysine 5962 Malic acid 525 Methionine 6137 Octanoic acid 379 Ornithine 6262 Phenylalanine 6140 Proline 145742 Arachidonic acid 444899 Serine 5951 Succinic acid 1110 Threonine 6288 Valine 6287 METABOLITES_END #END