#METABOLOMICS WORKBENCH BPnorman_20220124_072035 DATATRACK_ID:3049 STUDY_ID:ST002082 ANALYSIS_ID:AN003398 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Predicting dying: a study of the metabolic changes and the dying process in PR:PROJECT_TITLE patients with lung cancer PR:PROJECT_SUMMARY Background: Accurately recognising that a person may be dying is central for PR:PROJECT_SUMMARY improving their experience of care. Yet recognising dying is difficult and PR:PROJECT_SUMMARY predicting dying frequently inaccurate. Methods: Serial urine samples from PR:PROJECT_SUMMARY patients (n=112) with lung cancer were analysed using high resolution untargeted PR:PROJECT_SUMMARY mass spectrometry. ANOVA and volcano plot analysis demonstrated metabolites that PR:PROJECT_SUMMARY changed in the last weeks of life. Further analysis identified potential PR:PROJECT_SUMMARY biological pathways affected. Cox lasso logistic regression was engaged to PR:PROJECT_SUMMARY develop a multivariable model predicting the probability of survival within the PR:PROJECT_SUMMARY last 30 days of life. Results: In total 124 metabolites changed. ANOVA analysis PR:PROJECT_SUMMARY identified 93 metabolites and volcano plot analysis 85 metabolites. 53 PR:PROJECT_SUMMARY metabolites changed using both approaches. Pathways altered in the last weeks PR:PROJECT_SUMMARY included those associated with decreased oral intake, muscle loss, decreased RNA PR:PROJECT_SUMMARY and protein synthesis, mitochondrial dysfunction, disrupted β-oxidation and one PR:PROJECT_SUMMARY carbon metabolism. Epinephrine and cortisol increased in the last 2 weeks and PR:PROJECT_SUMMARY week respectively. A model predicting time to death using 7 metabolites had PR:PROJECT_SUMMARY excellent accuracy (AUC= 0.86 at day 30, 0.88 at day 20 and 0.85 at day 10) and PR:PROJECT_SUMMARY enabled classification of patients at low, medium and high risk of dying on a PR:PROJECT_SUMMARY Kaplan-Meier survival curve. Conclusions: Metabolomic analysis identified PR:PROJECT_SUMMARY metabolites and their associated pathways that change in the last weeks and days PR:PROJECT_SUMMARY of life in patients with lung cancer. Prognostic tests based on the metabolites PR:PROJECT_SUMMARY identified have the potential to change clinical practice and improve the care PR:PROJECT_SUMMARY of dying patients. PR:INSTITUTE University of Liverpool Institute of Life Course Medical Sciences PR:LAST_NAME Norman PR:FIRST_NAME Brendan PR:ADDRESS William Henry Duncan Building, 6 West Derby Street, Liverpool, Merseyside, L7 PR:ADDRESS 8TX, United Kingdom PR:EMAIL bnorman@liv.ac.uk PR:PHONE (+44)151 794 9064 PR:FUNDING_SOURCE This research received a Wellcome Trust Seed award for Science (202022/Z/16/Z) PR:FUNDING_SOURCE and a North West Cancer Research award (SI2018.11) PR:DOI http://dx.doi.org/10.21228/M8TT44 PR:CONTRIBUTORS Séamus Coyle, Elinor Chapman, David Hughes, James Baker, Andrew S Davison, PR:CONTRIBUTORS Brendan P Norman, Amara Callistus Nwosu, Mark Boyd, Catriona R Mayland, Stephen PR:CONTRIBUTORS Mason, John Ellershaw, Chris Probert #STUDY ST:STUDY_TITLE Predicting dying: a study of the metabolic changes and the dying process in ST:STUDY_TITLE patients with lung cancer ST:STUDY_TYPE Observational study ST:STUDY_SUMMARY Background: Accurately recognising that a person may be dying is central for ST:STUDY_SUMMARY improving their experience of care. Yet recognising dying is difficult and ST:STUDY_SUMMARY predicting dying frequently inaccurate. Methods: Serial urine samples from ST:STUDY_SUMMARY patients (n=112) with lung cancer were analysed using high resolution untargeted ST:STUDY_SUMMARY mass spectrometry. ANOVA and volcano plot analysis demonstrated metabolites that ST:STUDY_SUMMARY changed in the last weeks of life. Further analysis identified potential ST:STUDY_SUMMARY biological pathways affected. Cox lasso logistic regression was engaged to ST:STUDY_SUMMARY develop a multivariable model predicting the probability of survival within the ST:STUDY_SUMMARY last 30 days of life. Results: In total 124 metabolites changed. ANOVA analysis ST:STUDY_SUMMARY identified 93 metabolites and volcano plot analysis 85 metabolites. 53 ST:STUDY_SUMMARY metabolites changed using both approaches. Pathways altered in the last weeks ST:STUDY_SUMMARY included those associated with decreased oral intake, muscle loss, decreased RNA ST:STUDY_SUMMARY and protein synthesis, mitochondrial dysfunction, disrupted β-oxidation and one ST:STUDY_SUMMARY carbon metabolism. Epinephrine and cortisol increased in the last 2 weeks and ST:STUDY_SUMMARY week respectively. A model predicting time to death using 7 metabolites had ST:STUDY_SUMMARY excellent accuracy (AUC= 0.86 at day 30, 0.88 at day 20 and 0.85 at day 10) and ST:STUDY_SUMMARY enabled classification of patients at low, medium and high risk of dying on a ST:STUDY_SUMMARY Kaplan-Meier survival curve. Conclusions: Metabolomic analysis identified ST:STUDY_SUMMARY metabolites and their associated pathways that change in the last weeks and days ST:STUDY_SUMMARY of life in patients with lung cancer. Prognostic tests based on the metabolites ST:STUDY_SUMMARY identified have the potential to change clinical practice and improve the care ST:STUDY_SUMMARY of dying patients. ST:INSTITUTE University of Liverpool Institute of Life Course & Medical Sciences ST:LAST_NAME Norman ST:FIRST_NAME Brendan ST:ADDRESS William Henry Duncan Building, 6 West Derby Street, Liverpool, UK. L7 8TX ST:EMAIL bnorman@liverpool.ac.uk ST:PHONE (+44)151 794 9064 ST:SUBMIT_DATE 2022-01-24 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 47-89 years SU:GENDER Male and female SU:HUMAN_INCLUSION_CRITERIA Patients with lung cancer #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - D0D1_A-09_2017-11-21 Time before death (weeks):1 Urine creatinine (mmol/L)=5.95; RAW_FILE_NAME=D0D1_A-09_2017-11-21.d SUBJECT_SAMPLE_FACTORS - D0D1_A-63_2018-03-28 Time before death (weeks):1 Urine creatinine (mmol/L)=6.09; RAW_FILE_NAME=D0D1_A-63_2018-03-28.d SUBJECT_SAMPLE_FACTORS - D0D1_C-04_2017-08-10 Time before death (weeks):1 Urine creatinine (mmol/L)=5.36; RAW_FILE_NAME=D0D1_C-04_2017-08-10.d SUBJECT_SAMPLE_FACTORS - D0D1_MC-05_2017-08-16 Time before death (weeks):1 Urine creatinine (mmol/L)=7.78; RAW_FILE_NAME=D0D1_MC-05_2017-08-16.d SUBJECT_SAMPLE_FACTORS - D0D1_R-26_2018-04-20 Time before death (weeks):1 Urine creatinine (mmol/L)=14.93; RAW_FILE_NAME=D0D1_R-26_2018-04-20.d SUBJECT_SAMPLE_FACTORS - D0D1_R-29_2018-06-01 Time before death (weeks):1 Urine creatinine (mmol/L)=14.08; RAW_FILE_NAME=D0D1_R-29_2018-06-01.d SUBJECT_SAMPLE_FACTORS - D0D1_R-32_2018-07-13 Time before death (weeks):1 Urine creatinine (mmol/L)=3.52; RAW_FILE_NAME=D0D1_R-32_2018-07-13.d SUBJECT_SAMPLE_FACTORS - D0D1_WHI-001_2018-03-14 Time before death (weeks):1 Urine creatinine (mmol/L)=10.85; RAW_FILE_NAME=D0D1_WHI-001_2018-03-14.d SUBJECT_SAMPLE_FACTORS - D0D1_WHI-003_2018-04-16 Time before death (weeks):1 Urine creatinine (mmol/L)=15.56; RAW_FILE_NAME=D0D1_WHI-003_2018-04-16.d SUBJECT_SAMPLE_FACTORS - D0D1_WHI-011-106_2018-07-17 Time before death (weeks):1 Urine creatinine (mmol/L)=16.42; RAW_FILE_NAME=D0D1_WHI-011-106_2018-07-17.d SUBJECT_SAMPLE_FACTORS - D0D1_WHI-102_2018-04-25 Time before death (weeks):1 Urine creatinine (mmol/L)=9.54; RAW_FILE_NAME=D0D1_WHI-102_2018-04-25.d SUBJECT_SAMPLE_FACTORS - D2D16_A-57_2017-08-22 Time before death (weeks):1 Urine creatinine (mmol/L)=6.69; RAW_FILE_NAME=D2D16_A-57_2017-08-22.d SUBJECT_SAMPLE_FACTORS - D2D16_MC-11_2018-07-01 Time before death (weeks):1 Urine creatinine (mmol/L)=7.21; RAW_FILE_NAME=D2D16_MC-11_2018-07-01.d SUBJECT_SAMPLE_FACTORS - D2D16_R-10_2016-09-15 Time before death (weeks):1 Urine creatinine (mmol/L)=ND; RAW_FILE_NAME=D2D16_R-10_2016-09-15.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-015-107_2018-07-20 Time before death (weeks):1 Urine creatinine (mmol/L)=10.08; RAW_FILE_NAME=D2D16_WHI-015-107_2018-07-20.d SUBJECT_SAMPLE_FACTORS - G1_PS-A-05_03-03-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=10.3; RAW_FILE_NAME=G1_PS-A-05_03-03-2017.d SUBJECT_SAMPLE_FACTORS - G1_PS-A-51_21-11-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=5.8; RAW_FILE_NAME=G1_PS-A-51_21-11-2017.d SUBJECT_SAMPLE_FACTORS - G1_PS-MC-06_14-08-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=3; RAW_FILE_NAME=G1_PS-MC-06_14-08-2017.d SUBJECT_SAMPLE_FACTORS - G1_PS-R-02_11-10-2016 Time before death (weeks):1 Urine creatinine (mmol/L)=5.8; RAW_FILE_NAME=G1_PS-R-02_11-10-2016.d SUBJECT_SAMPLE_FACTORS - G1_PS-WHI-007_11-04-2018 Time before death (weeks):1 Urine creatinine (mmol/L)=6.4; RAW_FILE_NAME=G1_PS-WHI-007_11-04-2018.d SUBJECT_SAMPLE_FACTORS - G1_PS-WHI-020_15-06-2018 Time before death (weeks):1 Urine creatinine (mmol/L)=8.7; RAW_FILE_NAME=G1_PS-WHI-020_15-06-2018.d SUBJECT_SAMPLE_FACTORS - G2_PS-MC-02_03-07-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=5.1; RAW_FILE_NAME=G2_PS-MC-02_03-07-2017.d SUBJECT_SAMPLE_FACTORS - G2_PS-R-09_01-11-2016 Time before death (weeks):1 Urine creatinine (mmol/L)=4.5; RAW_FILE_NAME=G2_PS-R-09_01-11-2016.d SUBJECT_SAMPLE_FACTORS - G2_PS-R-21_15-11-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=1.5; RAW_FILE_NAME=G2_PS-R-21_15-11-2017.d SUBJECT_SAMPLE_FACTORS - G2_PS-WHI-027_04-09-2018 Time before death (weeks):1 Urine creatinine (mmol/L)=6.9; RAW_FILE_NAME=G2_PS-WHI-027_04-09-2018.d SUBJECT_SAMPLE_FACTORS - G3_PS-WHI-101_11-04-2018 Time before death (weeks):1 Urine creatinine (mmol/L)=16.3; RAW_FILE_NAME=G3_PS-WHI-101_11-04-2018.d SUBJECT_SAMPLE_FACTORS - A-01_2017-02-09 Time before death (weeks):12+ Urine creatinine (mmol/L)=2.68; RAW_FILE_NAME=A-01_2017-02-09.d SUBJECT_SAMPLE_FACTORS - A-11_2018-05-17 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.75; RAW_FILE_NAME=A-11_2018-05-17.d SUBJECT_SAMPLE_FACTORS - A-12_2017-03-16 Time before death (weeks):12+ Urine creatinine (mmol/L)=23.07; RAW_FILE_NAME=A-12_2017-03-16.d SUBJECT_SAMPLE_FACTORS - A-15_2018-06-06 Time before death (weeks):12+ Urine creatinine (mmol/L)=14.76; RAW_FILE_NAME=A-15_2018-06-06.d SUBJECT_SAMPLE_FACTORS - A-20_2017-11-21 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.62; RAW_FILE_NAME=A-20_2017-11-21.d SUBJECT_SAMPLE_FACTORS - A-21_2018-01-24 Time before death (weeks):12+ Urine creatinine (mmol/L)=29.65; RAW_FILE_NAME=A-21_2018-01-24.d SUBJECT_SAMPLE_FACTORS - A-24_2017-07-06 Time before death (weeks):12+ Urine creatinine (mmol/L)=16.64; RAW_FILE_NAME=A-24_2017-07-06.d SUBJECT_SAMPLE_FACTORS - A-33_2017-12-12 Time before death (weeks):12+ Urine creatinine (mmol/L)=15.89; RAW_FILE_NAME=A-33_2017-12-12.d SUBJECT_SAMPLE_FACTORS - A-40_2018-07-24 Time before death (weeks):12+ Urine creatinine (mmol/L)=5.33; RAW_FILE_NAME=A-40_2018-07-24.d SUBJECT_SAMPLE_FACTORS - A-47_2017-08-02 Time before death (weeks):12+ Urine creatinine (mmol/L)=7.63; RAW_FILE_NAME=A-47_2017-08-02.d SUBJECT_SAMPLE_FACTORS - A-48_2017-06-29 Time before death (weeks):12+ Urine creatinine (mmol/L)=4.39; RAW_FILE_NAME=A-48_2017-06-29.d SUBJECT_SAMPLE_FACTORS - A-49_2017-06-28 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.92; RAW_FILE_NAME=A-49_2017-06-28.d SUBJECT_SAMPLE_FACTORS - A-61_2018-03-15 Time before death (weeks):12+ Urine creatinine (mmol/L)=138; RAW_FILE_NAME=A-61_2018-03-15.d SUBJECT_SAMPLE_FACTORS - C-02_2017-03-16 Time before death (weeks):12+ Urine creatinine (mmol/L)=19.97; RAW_FILE_NAME=C-02_2017-03-16.d SUBJECT_SAMPLE_FACTORS - C-03_2017-03-20 Time before death (weeks):12+ Urine creatinine (mmol/L)=4.42; RAW_FILE_NAME=C-03_2017-03-20.d SUBJECT_SAMPLE_FACTORS - C-05_2017-04-20 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.23; RAW_FILE_NAME=C-05_2017-04-20.d SUBJECT_SAMPLE_FACTORS - C-06_2017-04-26 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.94; RAW_FILE_NAME=C-06_2017-04-26.d SUBJECT_SAMPLE_FACTORS - C-09_2017-05-10 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.91; RAW_FILE_NAME=C-09_2017-05-10.d SUBJECT_SAMPLE_FACTORS - C-13_2017-06-06 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.47; RAW_FILE_NAME=C-13_2017-06-06.d SUBJECT_SAMPLE_FACTORS - C-18_2017-06-21 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.71; RAW_FILE_NAME=C-18_2017-06-21.d SUBJECT_SAMPLE_FACTORS - D17_A-65_2018-07-07 Time before death (weeks):12+ Urine creatinine (mmol/L)=6.49; RAW_FILE_NAME=D17_A-65_2018-07-07.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-06_20-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=12.9; RAW_FILE_NAME=LCC_PS-A-06_20-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-07_02-03-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.3; RAW_FILE_NAME=LCC_PS-A-07_02-03-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-08_26-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=21.6; RAW_FILE_NAME=LCC_PS-A-08_26-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-13_06-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=4.8; RAW_FILE_NAME=LCC_PS-A-13_06-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-19_06-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=18.6; RAW_FILE_NAME=LCC_PS-A-19_06-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-32_06-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=6.9; RAW_FILE_NAME=LCC_PS-A-32_06-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-50_29-06-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.8; RAW_FILE_NAME=LCC_PS-A-50_29-06-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-C-01_09-03-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=6.4; RAW_FILE_NAME=LCC_PS-C-01_09-03-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-C-12_01-06-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=7.6; RAW_FILE_NAME=LCC_PS-C-12_01-06-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-MC-09_19-10-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.9; RAW_FILE_NAME=LCC_PS-MC-09_19-10-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-MC-14_27-02-2018 Time before death (weeks):12+ Urine creatinine (mmol/L)=11.6; RAW_FILE_NAME=LCC_PS-MC-14_27-02-2018.d SUBJECT_SAMPLE_FACTORS - LCC_PS-R-15_31-03-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=5.5; RAW_FILE_NAME=LCC_PS-R-15_31-03-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-R-22_08-12-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=5.3; RAW_FILE_NAME=LCC_PS-R-22_08-12-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-R-24_11-01-2018 Time before death (weeks):12+ Urine creatinine (mmol/L)=10.6; RAW_FILE_NAME=LCC_PS-R-24_11-01-2018.d SUBJECT_SAMPLE_FACTORS - LCC_PS-WHI-002_14-03-2018 Time before death (weeks):12+ Urine creatinine (mmol/L)=6.4; RAW_FILE_NAME=LCC_PS-WHI-002_14-03-2018.d SUBJECT_SAMPLE_FACTORS - LCC_PS-WHI-008_16-04-2018 Time before death (weeks):12+ Urine creatinine (mmol/L)=7.7; RAW_FILE_NAME=LCC_PS-WHI-008_16-04-2018.d SUBJECT_SAMPLE_FACTORS - MC-15_2018-09-19 Time before death (weeks):12+ Urine creatinine (mmol/L)=11.93; RAW_FILE_NAME=MC-15_2018-09-19.d SUBJECT_SAMPLE_FACTORS - MC-16_2018-09-12 Time before death (weeks):12+ Urine creatinine (mmol/L)=4.27; RAW_FILE_NAME=MC-16_2018-09-12.d SUBJECT_SAMPLE_FACTORS - MC-17_2018-09-12 Time before death (weeks):12+ Urine creatinine (mmol/L)=8.2; RAW_FILE_NAME=MC-17_2018-09-12.d SUBJECT_SAMPLE_FACTORS - R-30_2018-06-07 Time before death (weeks):12+ Urine creatinine (mmol/L)=13.07; RAW_FILE_NAME=R-30_2018-06-07.d SUBJECT_SAMPLE_FACTORS - WHI-016_2018-08-30 Time before death (weeks):12+ Urine creatinine (mmol/L)=5.5; RAW_FILE_NAME=WHI-016_2018-08-30.d SUBJECT_SAMPLE_FACTORS - D2D16_A-18_2017-04-04 Time before death (weeks):2 Urine creatinine (mmol/L)=7.48; RAW_FILE_NAME=D2D16_A-18_2017-04-04.d SUBJECT_SAMPLE_FACTORS - D2D16_A-56_2017-08-23 Time before death (weeks):2 Urine creatinine (mmol/L)=3.82; RAW_FILE_NAME=D2D16_A-56_2017-08-23.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-014_2018-06-05 Time before death (weeks):2 Urine creatinine (mmol/L)=10.27; RAW_FILE_NAME=D2D16_WHI-014_2018-06-05.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-023_2018-08-29 Time before death (weeks):2 Urine creatinine (mmol/L)=6.03; RAW_FILE_NAME=D2D16_WHI-023_2018-08-29.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-026_2018-07-19 Time before death (weeks):2 Urine creatinine (mmol/L)=6.04; RAW_FILE_NAME=D2D16_WHI-026_2018-07-19.d SUBJECT_SAMPLE_FACTORS - G3_PS-A-14_26-06-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=3.8; RAW_FILE_NAME=G3_PS-A-14_26-06-2017.d SUBJECT_SAMPLE_FACTORS - G3_PS-C-17_20-06-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=2.5; RAW_FILE_NAME=G3_PS-C-17_20-06-2017.d SUBJECT_SAMPLE_FACTORS - G3_PS-R-12_02-03-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=2.3; RAW_FILE_NAME=G3_PS-R-12_02-03-2017.d SUBJECT_SAMPLE_FACTORS - G4_PS-A-62_15-02-2018 Time before death (weeks):2 Urine creatinine (mmol/L)=5.2; RAW_FILE_NAME=G4_PS-A-62_15-02-2018.d SUBJECT_SAMPLE_FACTORS - G4_PS-MC-10_06-03-2018 Time before death (weeks):2 Urine creatinine (mmol/L)=9; RAW_FILE_NAME=G4_PS-MC-10_06-03-2018.d SUBJECT_SAMPLE_FACTORS - G4_PS-R-05_17-08-2016 Time before death (weeks):2 Urine creatinine (mmol/L)=4.6; RAW_FILE_NAME=G4_PS-R-05_17-08-2016.d SUBJECT_SAMPLE_FACTORS - G4_PS-R-17_14-06-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=8.9; RAW_FILE_NAME=G4_PS-R-17_14-06-2017.d SUBJECT_SAMPLE_FACTORS - G4_PS-WHI-012_01-05-2018 Time before death (weeks):2 Urine creatinine (mmol/L)=7; RAW_FILE_NAME=G4_PS-WHI-012_01-05-2018.d SUBJECT_SAMPLE_FACTORS - G5_PS-MC-07_14-08-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=1.4; RAW_FILE_NAME=G5_PS-MC-07_14-08-2017.d SUBJECT_SAMPLE_FACTORS - G5_PS-MC-13_27-02-2018 Time before death (weeks):2 Urine creatinine (mmol/L)=7; RAW_FILE_NAME=G5_PS-MC-13_27-02-2018.d SUBJECT_SAMPLE_FACTORS - G5_PS-R-01_15-06-2016 Time before death (weeks):2 Urine creatinine (mmol/L)=1.5; RAW_FILE_NAME=G5_PS-R-01_15-06-2016.d SUBJECT_SAMPLE_FACTORS - Group 4_PS-R-18_20-06-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=9.7; RAW_FILE_NAME=Group 4_PS-R-18_20-06-2017.d SUBJECT_SAMPLE_FACTORS - R-13_2018-04-23 Time before death (weeks):2 Urine creatinine (mmol/L)=10.71; RAW_FILE_NAME=R-13_2018-04-23.d SUBJECT_SAMPLE_FACTORS - D17_A-64_2018-07-06 Time before death (weeks):3 Urine creatinine (mmol/L)=6.37; RAW_FILE_NAME=D17_A-64_2018-07-06.d SUBJECT_SAMPLE_FACTORS - D17_R-20_2017-11-22 Time before death (weeks):3 Urine creatinine (mmol/L)=11.61; RAW_FILE_NAME=D17_R-20_2017-11-22.d SUBJECT_SAMPLE_FACTORS - D17_R-23_2017-12-13 Time before death (weeks):3 Urine creatinine (mmol/L)=5.6; RAW_FILE_NAME=D17_R-23_2017-12-13.d SUBJECT_SAMPLE_FACTORS - D17_WHI-004_2018-03-16 Time before death (weeks):3 Urine creatinine (mmol/L)=8.82; RAW_FILE_NAME=D17_WHI-004_2018-03-16.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-010_2018-04-23 Time before death (weeks):3 Urine creatinine (mmol/L)=11.72; RAW_FILE_NAME=D2D16_WHI-010_2018-04-23.d SUBJECT_SAMPLE_FACTORS - G5_PS-A-67_25-06-2018 Time before death (weeks):3 Urine creatinine (mmol/L)=9.9; RAW_FILE_NAME=G5_PS-A-67_25-06-2018.d SUBJECT_SAMPLE_FACTORS - G5_PS-R-28_20-06-2018 Time before death (weeks):3 Urine creatinine (mmol/L)=8.6; RAW_FILE_NAME=G5_PS-R-28_20-06-2018.d SUBJECT_SAMPLE_FACTORS - G5_PS-WHI-103_30-04-2018 Time before death (weeks):3 Urine creatinine (mmol/L)=1.2; RAW_FILE_NAME=G5_PS-WHI-103_30-04-2018.d SUBJECT_SAMPLE_FACTORS - G6_PS-R-25_11-01-2018 Time before death (weeks):3 Urine creatinine (mmol/L)=5.9; RAW_FILE_NAME=G6_PS-R-25_11-01-2018.d SUBJECT_SAMPLE_FACTORS - MC-01_2017-07-05 Time before death (weeks):3 Urine creatinine (mmol/L)=5.08; RAW_FILE_NAME=MC-01_2017-07-05.d SUBJECT_SAMPLE_FACTORS - MC-08_2017-09-14 Time before death (weeks):3 Urine creatinine (mmol/L)=5.23; RAW_FILE_NAME=MC-08_2017-09-14.d SUBJECT_SAMPLE_FACTORS - R-11_2016-11-04 Time before death (weeks):3 Urine creatinine (mmol/L)=2.68; RAW_FILE_NAME=R-11_2016-11-04.d SUBJECT_SAMPLE_FACTORS - MC-04_2017-07-25 Time before death (weeks):4 Urine creatinine (mmol/L)=3.13; RAW_FILE_NAME=MC-04_2017-07-25.d SUBJECT_SAMPLE_FACTORS - A-02_2017-03-10 Time before death (weeks):4+ Urine creatinine (mmol/L)=2.04; RAW_FILE_NAME=A-02_2017-03-10.d SUBJECT_SAMPLE_FACTORS - A-16_2018-06-21 Time before death (weeks):4+ Urine creatinine (mmol/L)=9.46; RAW_FILE_NAME=A-16_2018-06-21.d SUBJECT_SAMPLE_FACTORS - A-17_2017-04-05 Time before death (weeks):4+ Urine creatinine (mmol/L)=12.77; RAW_FILE_NAME=A-17_2017-04-05.d SUBJECT_SAMPLE_FACTORS - A-43_2017-11-01 Time before death (weeks):4+ Urine creatinine (mmol/L)=1.47; RAW_FILE_NAME=A-43_2017-11-01.d SUBJECT_SAMPLE_FACTORS - A-58_2017-08-30 Time before death (weeks):4+ Urine creatinine (mmol/L)=5.25; RAW_FILE_NAME=A-58_2017-08-30.d SUBJECT_SAMPLE_FACTORS - R-06_2016-10-18 Time before death (weeks):4+ Urine creatinine (mmol/L)=2.12; RAW_FILE_NAME=R-06_2016-10-18.d SUBJECT_SAMPLE_FACTORS - R-14_2017-03-17 Time before death (weeks):4+ Urine creatinine (mmol/L)=4.27; RAW_FILE_NAME=R-14_2017-03-17.d SUBJECT_SAMPLE_FACTORS - R-16_2017-05-02 Time before death (weeks):4+ Urine creatinine (mmol/L)=5.05; RAW_FILE_NAME=R-16_2017-05-02.d SUBJECT_SAMPLE_FACTORS - R-19_2018-11-14 Time before death (weeks):4+ Urine creatinine (mmol/L)=7.38; RAW_FILE_NAME=R-19_2018-11-14.d SUBJECT_SAMPLE_FACTORS - R-31_2018-07-25 Time before death (weeks):4+ Urine creatinine (mmol/L)=9.99; RAW_FILE_NAME=R-31_2018-07-25.d SUBJECT_SAMPLE_FACTORS - WHI-006_2018-04-05 Time before death (weeks):4+ Urine creatinine (mmol/L)=3.14; RAW_FILE_NAME=WHI-006_2018-04-05.d SUBJECT_SAMPLE_FACTORS - WHI-100_2018-07-20 Time before death (weeks):4+ Urine creatinine (mmol/L)=2.23; RAW_FILE_NAME=WHI-100_2018-07-20.d SUBJECT_SAMPLE_FACTORS - WHI-105_2018-05-22 Time before death (weeks):4+ Urine creatinine (mmol/L)=6.6; RAW_FILE_NAME=WHI-105_2018-05-22.d #COLLECTION CO:COLLECTION_SUMMARY The study was conducted at six sites (hospitals and hospices) in the North West CO:COLLECTION_SUMMARY of England (UK) from June 2016 to September 2018. Patients with lung cancer were CO:COLLECTION_SUMMARY recruited prospectively and multiple urine samples were collected up to three CO:COLLECTION_SUMMARY times a week while an inpatient. Ethical approval was provided by North Wales CO:COLLECTION_SUMMARY (West) Research Ethics Committee (REC reference 15/WA/0464). Research team CO:COLLECTION_SUMMARY members collected 20 mL of urine from participants in a universal container. CO:COLLECTION_SUMMARY For those participants with a urinary catheter, the urine was collected using a CO:COLLECTION_SUMMARY needle and syringe from the catheter port. The samples were stored on site in a CO:COLLECTION_SUMMARY locked freezer at −20°C. An anonymised record of the medication administered CO:COLLECTION_SUMMARY was collected. Collection protocol described previously by Coyle et al. (BMJ CO:COLLECTION_SUMMARY Open. 2016; 6(11) e011763. doi: 10.1136/bmjopen-2016-011763). CO:SAMPLE_TYPE Urine CO:VOLUMEORAMOUNT_COLLECTED 20 mL CO:STORAGE_CONDITIONS -20℃ #TREATMENT TR:TREATMENT_SUMMARY Clinical observational study. Serial urine samples collected from patients with TR:TREATMENT_SUMMARY lung cancer in a palliative care setting at varying time points up until death; TR:TREATMENT_SUMMARY >12 weeks - 1 week before death (see 'study design' information). Although TR:TREATMENT_SUMMARY multiple samples were collected from patients, only the final sample was TR:TREATMENT_SUMMARY included in the analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Individual patient samples were thawed at room temperature, vortexed and SP:SAMPLEPREP_SUMMARY separated into four replicate aliquots in individual 96-well plates (Waters, UK) SP:SAMPLEPREP_SUMMARY which were stored at -80 °C until analysis by one of four different methods; SP:SAMPLEPREP_SUMMARY two different chromatography conditions in negative and positive ionisation SP:SAMPLEPREP_SUMMARY polarity. Pooled quality control samples were created following the protocol SP:SAMPLEPREP_SUMMARY described by Norman et al. (Clin Chem. 2019;65(4):530-39. doi: SP:SAMPLEPREP_SUMMARY 10.1373/clinchem.2018.295345). For each sample group (time before death), a SP:SAMPLEPREP_SUMMARY separate representative pool was created by pooling an equal volume of each SP:SAMPLEPREP_SUMMARY individual urine sample for quality control purposes. An overall pool was also SP:SAMPLEPREP_SUMMARY created by pooling equal proportions of the above group pools. Analysis of SP:SAMPLEPREP_SUMMARY individual and pooled samples was performed following dilution of 1:3 SP:SAMPLEPREP_SUMMARY urine:deionised water (DIRECT-Q 3UV Millipore water purification system) as SP:SAMPLEPREP_SUMMARY previously described by Norman et al. (2019). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY LC method 2: used a BEH amide column (3x150 mm, 1.7 µm, Waters, UK) maintained CH:CHROMATOGRAPHY_SUMMARY at 40 °C with flow rate at 0.6 mL/min. Mobile phases were (A) water and (B) CH:CHROMATOGRAPHY_SUMMARY acetonitrile both containing 0.1 % formic acid. The elution gradient started at CH:CHROMATOGRAPHY_SUMMARY 99 % B, decreasing linearly to 30 % from 1 to 12 min, held at 30 % B until 12.6 CH:CHROMATOGRAPHY_SUMMARY min, returning to 99 % B for 3.4 min. Sample injection volume was 1 µL for both CH:CHROMATOGRAPHY_SUMMARY LC methods. CH:INSTRUMENT_NAME Agilent 6550 CH:COLUMN_NAME Waters BEH Amide (150 x 3.0mm,1.7um) CH:COLUMN_TEMPERATURE 40 CH:FLOW_GRADIENT The elution gradient started at 99% B, decreasing linearly to 30% from 1 to 12 CH:FLOW_GRADIENT min, held at 30% B until 12.6 min, returning to 99% B for 3.4 min. CH:FLOW_RATE 0.6 mL/min CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:MS_COMMENTS Mass spectrometry conditions: The mass spectrometer was tuned and calibrated MS:MS_COMMENTS according to protocols recommended by the manufacturer. Acquisition was MS:MS_COMMENTS performed in 2 GHz mode and mass range 50-1700. The capillary voltage was 4000 V MS:MS_COMMENTS and fragmentor voltage 380 V. The desolvation gas temperature was 200 °C with MS:MS_COMMENTS flow rate at 15 L/min. The sheath gas temperature was 300 °C with flow rate at MS:MS_COMMENTS 12 L/min. The nebulizer pressure was 40 psig and nozzle voltage 1000 V (± for MS:MS_COMMENTS positive and negative ionisation modes). The acquisition rate was 3 MS:MS_COMMENTS spectra/second. The reference mass solution was continually infused at a flow MS:MS_COMMENTS rate of 0.5 mL/min by a separate isocratic pump for constant mass correction. MS:MS_COMMENTS Repeat injections of each pooled sample were interspersed throughout the MS:MS_COMMENTS analytical sequence, as per the quality control procedure described by Norman et MS:MS_COMMENTS al. (Clin Chem. 2019;65(4):530-539. doi: 10.1373/clinchem.2018.295345). The MS:MS_COMMENTS individual sample analysis order was randomised computationally. Data MS:MS_COMMENTS Pre-processing and Quality Control: All data were acquired using the MassHunter MS:MS_COMMENTS suite (Agilent build 6.0) with quality checks being performed by Qualitative MS:MS_COMMENTS Analysis (build 07.00). Mass accuracy was checked using extracted ion MS:MS_COMMENTS chromatograms of reference masses: the resulting accuracy was ±5 ppm during the MS:MS_COMMENTS run. Additionally, chromatographic reproducibility was checked by overlaying MS:MS_COMMENTS binary pump pressure curves across each analytical sequence. Data was filtered MS:MS_COMMENTS based upon the pooled QC samples, with compounds being retained if observed in MS:MS_COMMENTS 100 % of replicate injections for at least 1 pool and with peak area coefficient MS:MS_COMMENTS of variation (CV) <25 % across all replicate injections for each pool. A MS:MS_COMMENTS comprehensive semi-targeted approach was employed to assign the identity of MS:MS_COMMENTS urinary metabolites using an in-house compound library that included a broad MS:MS_COMMENTS range of metabolites involved in intermediary metabolism. Targeted feature MS:MS_COMMENTS extraction was performed on each dataset based on matching of metabolite MS:MS_COMMENTS chemical features against an accurate mass and retention time (AMRT) database MS:MS_COMMENTS previously generated from analysis of the IROA Technology MS metabolite library MS:MS_COMMENTS of tandards by each LC method described above, combined with the same QTOF MS:MS_COMMENTS analytical parameters used in this study (databases publicly available: MS:MS_COMMENTS https://doi.org/10.6084/m9.figshare.c.4378235.v2). In addition to accurate mass MS:MS_COMMENTS and retention time, MS/MS (data-dependent, employed for 'hit' metabolites) was MS:MS_COMMENTS also used in the confirmation of metabolite identity (i.e. level 1 MS:MS_COMMENTS identification) as per Sumner et al. Feature extraction was performed in MS:MS_COMMENTS MassHunter Profinder (build 10.0); accurate mass window of 10 ppm and retention MS:MS_COMMENTS time window of 0.3 min against the respective AMRT database. Data were exported MS:MS_COMMENTS in the format of a csv file for statistical analysis. MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS raw peak area MS_METABOLITE_DATA_START Samples D0D1_A-09_2017-11-21 D0D1_A-63_2018-03-28 D0D1_C-04_2017-08-10 D0D1_MC-05_2017-08-16 D0D1_R-26_2018-04-20 D0D1_R-29_2018-06-01 D0D1_R-32_2018-07-13 D0D1_WHI-001_2018-03-14 D0D1_WHI-003_2018-04-16 D0D1_WHI-011-106_2018-07-17 D0D1_WHI-102_2018-04-25 D2D16_A-57_2017-08-22 D2D16_MC-11_2018-07-01 D2D16_R-10_2016-09-15 D2D16_WHI-015-107_2018-07-20 G1_PS-A-05_03-03-2017 G1_PS-A-51_21-11-2017 G1_PS-MC-06_14-08-2017 G1_PS-R-02_11-10-2016 G1_PS-WHI-007_11-04-2018 G1_PS-WHI-020_15-06-2018 G2_PS-MC-02_03-07-2017 G2_PS-R-09_01-11-2016 G2_PS-R-21_15-11-2017 G2_PS-WHI-027_04-09-2018 G3_PS-WHI-101_11-04-2018 A-01_2017-02-09 A-11_2018-05-17 A-12_2017-03-16 A-15_2018-06-06 A-20_2017-11-21 A-21_2018-01-24 A-24_2017-07-06 A-33_2017-12-12 A-40_2018-07-24 A-47_2017-08-02 A-48_2017-06-29 A-49_2017-06-28 A-61_2018-03-15 C-02_2017-03-16 C-03_2017-03-20 C-05_2017-04-20 C-06_2017-04-26 C-09_2017-05-10 C-13_2017-06-06 C-18_2017-06-21 D17_A-65_2018-07-07 LCC_PS-A-06_20-07-2017 LCC_PS-A-07_02-03-2017 LCC_PS-A-08_26-07-2017 LCC_PS-A-13_06-07-2017 LCC_PS-A-19_06-07-2017 LCC_PS-A-32_06-07-2017 LCC_PS-A-50_29-06-2017 LCC_PS-C-01_09-03-2017 LCC_PS-C-12_01-06-2017 LCC_PS-MC-09_19-10-2017 LCC_PS-MC-14_27-02-2018 LCC_PS-R-15_31-03-2017 LCC_PS-R-22_08-12-2017 LCC_PS-R-24_11-01-2018 LCC_PS-WHI-002_14-03-2018 LCC_PS-WHI-008_16-04-2018 MC-15_2018-09-19 MC-16_2018-09-12 MC-17_2018-09-12 R-30_2018-06-07 WHI-016_2018-08-30 D2D16_A-18_2017-04-04 D2D16_A-56_2017-08-23 D2D16_WHI-014_2018-06-05 D2D16_WHI-023_2018-08-29 D2D16_WHI-026_2018-07-19 G3_PS-A-14_26-06-2017 G3_PS-C-17_20-06-2017 G3_PS-R-12_02-03-2017 G4_PS-A-62_15-02-2018 G4_PS-MC-10_06-03-2018 G4_PS-R-05_17-08-2016 G4_PS-R-17_14-06-2017 G4_PS-WHI-012_01-05-2018 G5_PS-MC-07_14-08-2017 G5_PS-MC-13_27-02-2018 G5_PS-R-01_15-06-2016 Group 4_PS-R-18_20-06-2017 R-13_2018-04-23 D17_A-64_2018-07-06 D17_R-20_2017-11-22 D17_R-23_2017-12-13 D17_WHI-004_2018-03-16 D2D16_WHI-010_2018-04-23 G5_PS-A-67_25-06-2018 G5_PS-R-28_20-06-2018 G5_PS-WHI-103_30-04-2018 G6_PS-R-25_11-01-2018 MC-01_2017-07-05 MC-08_2017-09-14 R-11_2016-11-04 MC-04_2017-07-25 A-02_2017-03-10 A-16_2018-06-21 A-17_2017-04-05 A-43_2017-11-01 A-58_2017-08-30 R-06_2016-10-18 R-14_2017-03-17 R-16_2017-05-02 R-19_2018-11-14 R-31_2018-07-25 WHI-006_2018-04-05 WHI-100_2018-07-20 WHI-105_2018-05-22 Factors Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):4 Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ 10-hydroxy capric acid 6014.3328 21039.2715 5871.7782 29276.9447 9463.5039 25685.6538 22660.5720 28686.0386 24004.7057 34084.0249 36517.6561 64307.5430 3906.9977 9505.6057 26769.7962 9717.8903 77287.2249 8007.8442 22282.7785 8073.2399 15484.5638 38916.5518 7100.0747 3949.8405 12315.7881 10811.2079 8481.8230 1865.9234 5278.4835 21914.7032 5300.1326 13493.0703 11297.4633 3595.6886 4287.8922 3196.5244 5942.1072 12003.8659 29030.0518 11769.7745 6006.6182 4445.2339 1303.8782 1379.1027 3092.1366 5433.5769 4148.9684 7434.4260 1668.1937 55690.7276 6090.2303 3613.5936 5984.7648 3285.8187 7326.6776 7277.7468 5594.6813 13438.2808 9880.8213 4566.1694 5491.4420 10600.4456 8783.5369 14148.8564 2817.9223 3757.0623 4362.1870 9652.5027 13354.4741 4567.8391 19503.5349 4235.7603 5450.5488 13205.3122 8858.4530 10759.1719 15599.0313 7788.8999 15189.4759 21822.9249 14467.9440 18937.1286 7339.6836 2867.8875 3702.4716 29998.8255 5287.5341 14854.4588 13107.3333 5363.2665 75305.7469 4616.1663 10286.2731 1521.8071 21048.9696 13066.3767 5147.1142 6738.2483 11722.8890 4816.3067 13087.6515 25778.5433 2171.1454 18219.2359 2366.5586 3564.9205 7004.8947 16060.6457 9974.3484 5986.7820 4845.6808 5708.6562 1_2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHOETHANOLAMINE 21815.5153 1070.2419 16900.1960 82.8805 71.1560 9296.5474 9590.6931 25847.7203 43432.4560 47004.0306 7663.0681 15374.2545 376.7906 11192.0423 151.7287 34964.8917 29809.0987 10894.3064 1084.8805 587.2176 4965.2504 324.8623 28981.6240 246.2066 26320.8955 162.5440 220.0520 21598.2582 75756.5720 333.6454 14459.2418 729.8409 387.7414 81.7531 147.7562 25531.3064 26863.8302 29705.9889 30745.2206 85.0062 59485.3271 67.4991 8821.5291 55146.3415 11367.1223 30819.5731 102.2584 1272.0644 1402.1212 1049.2423 44658.2412 110206.2340 29997.4892 8262.1123 85.6750 820.1135 110487.8617 10944.6173 15703.2359 3201.6942 616.9083 77.2795 207.6658 108.9515 66097.7540 74.6472 60796.3630 8135.9723 110.6200 1134.9634 626.6934 25475.7049 32888.1375 88760.0692 12-Hydroxydodecanoic acid 1768.5569 2997.6870 2012.7224 3498.7155 343.5032 3951.6069 5440.2450 4822.2987 474.2483 2900.5939 6259.5735 3817.4889 666.6343 1956.9083 2585.8842 2108.0537 13696.9868 2418.4229 3134.4066 1592.2317 1791.5091 7682.0211 1064.4399 717.7278 1884.1630 2003.5157 904.9620 287.7934 651.9282 2702.2617 1731.4610 2467.4792 1961.3364 594.5198 267.4018 925.6945 1212.9002 1489.2273 3730.5305 3739.5812 697.7676 1524.7204 89.9149 432.8715 767.5344 972.0652 1202.8958 1220.5665 251.0908 9232.7399 779.1121 607.9558 1010.7620 791.8932 1828.7745 1267.2164 860.0338 2612.8836 2092.0726 1791.9252 1051.4591 885.5141 748.7048 2883.9680 563.3743 548.9185 964.7347 450.0777 5346.8548 1476.7260 1967.5366 663.1290 397.4691 3643.3249 1445.7209 1168.3920 3563.3763 1449.5341 2456.0982 733.9143 2094.7407 1580.1120 1425.8402 284.5471 656.2852 2197.6691 1229.5625 1623.6888 2368.7753 774.0213 1844.5148 1222.4939 1343.1881 235.0152 3639.3696 1115.3958 1029.9977 1178.4986 2299.2067 2159.7757 3720.9341 5301.3725 519.0401 4422.7535 439.9792 578.2538 1515.4648 4346.6375 2440.2997 1612.2005 861.5079 714.2700 1-Hydroxy-2-naphthoic acid 1791.1275 22401.6091 24145.4824 9902.2025 707.3696 13302.1256 11795.7190 3307.0322 624.5086 304.4305 4791.7724 80207.1617 1199.5707 759.8106 11100.7469 186521.5646 431.6295 41286.6785 78453.3201 3905.9074 1193.7923 12259.8443 3472.1997 9451.6959 75.0226 15417.5128 3454.5168 582.6539 9148.5697 797.7656 12764.1058 5397.5421 56690.2322 2402.5825 219.9510 1926.2349 1359.0430 16926.2883 809.2997 55587.8267 36549.1072 16534.4182 10959.2038 15175.6202 30596.5162 11180.4223 23466.0031 1027.9643 6146.8718 9094.7227 245.6338 3066.6508 22342.5576 23239.7459 4682.5124 6730.5603 29847.8889 3387.8228 7125.3709 1001.9631 808.1257 561.5345 3449.3630 1927.4870 39223.4830 2697.9733 23100.4880 37379.7682 1473.2034 3511.6215 1902.3881 10804.8165 2947.5618 24894.5907 12472.3817 47836.1641 31110.0769 4847.7142 15954.5852 30350.1249 5534.0020 385.8403 2833.9435 14861.9075 5233.6004 14547.8309 66496.9187 2474.7517 4160.4575 37551.9771 12730.4248 497.2082 208.2476 1733.8739 252.9411 35003.5203 162138.2244 269703.8521 16413.4390 18613.6805 6818.1847 568.5876 947.3167 42177.3517 207.4715 56334.5573 2998.9151 1163.5631 411.2936 1-Methyladenosine 1910.1895 899.2817 1867.2676 3836.0809 7476.7047 9629.3878 2237.8341 6508.8368 583.5943 2615.4419 1963.0441 2740.6636 4582.8262 1610.6182 1621.6567 2312.4856 2950.2818 1376.3664 47232.2568 2017.2069 3250.3676 2021.9755 29912.9254 5484.9088 34826.6309 8434.7251 14691.9115 15009.4837 1224.0459 13263.2567 16040.9826 1329.9998 847.0041 2506.3741 4617.3267 509.2035 1377.8078 5476.5895 5417.2270 712.6835 25508.2082 22207.3394 9044.9750 14219.8839 16341.8853 2315.0751 896.5167 71087.0108 17071.0151 856.0056 34055.5651 1646.2609 42441.0260 16832.0789 26658.6831 1405.4303 15051.1241 757.4601 54885.5946 744.2842 1058.8983 21665.8682 17763.7571 462.8175 872.1719 1479.7586 1088.7076 897.6977 968.3699 15655.2692 503.1602 481.0904 636.6409 92752.8380 1246.2221 1283.1013 450.4977 4002.0139 20449.8743 1611.3258 3113.4117 6010.0865 1251.1329 7007.7193 775.1666 695.0472 58594.6091 696.5616 2778.2805 3218.7627 24990.4929 1733.5799 962.9563 2766.1919 16365.1500 33150.3022 16526.5382 61608.5588 4323.7313 20457.2849 70106.3077 8232.7730 16365.0289 320.9523 4419.6147 589.7105 887.0928 1036.4772 648.7386 1488.5992 1021.4122 778.9987 2^_3^-Cyclic CMP 168867.3742 78166.5819 12031.7316 13166.5211 3902.4396 1858.2739 6214.6431 2_3-Dihydroxybenzoic acid 3676.8872 7234.4492 4993.3513 18127.1974 24814.2891 60456.3684 4086.8280 15830.2697 11341.4705 20545.1495 8129.3950 13856.5709 3670.2121 29941.9370 3840.9381 26580.3416 7099.4083 11902.4845 4321.2535 12544.5637 18416.9408 10453.8228 9453.0953 23977.5149 24562.0434 11972.3617 34995.8938 17728.3536 18830.9647 11496.9583 8885.6272 53340.5049 34622.4829 20465.9400 28468.0767 19240.3666 48823.5500 19461.0039 59661.5892 28373.4763 49332.0814 28086.2290 35921.5097 40233.5308 14600.0870 57845.9057 22456.4612 27304.5972 69213.1629 38696.5561 40874.7863 14857.8175 16134.8162 14902.4998 26545.2708 11828.0707 55434.8089 25545.1507 56116.5037 10354.3093 8378.0286 36397.2160 16600.0918 9878.0546 39390.9401 34670.9054 29866.9642 36181.3022 20840.8686 6193.3838 39662.0245 7906.7675 52038.7832 21879.4681 23358.6575 19135.8611 14023.9181 66284.7420 8599.9935 3334.1932 13126.2924 9015.1923 32084.5016 15130.5550 15139.3711 33838.5462 4561.5543 23085.9715 14495.6455 25975.5852 7089.5252 51404.7215 20587.7917 9019.5450 2-Aminophenol 421171.9289 261711.4443 121526.9719 177282.1207 35564.8940 20177.7607 177419.4377 23715.8475 79407.2011 120811.9856 31470.5138 141621.8837 56415.1167 30756.3129 107603.1951 459650.4987 395090.9880 20564.8475 645730.0241 219918.3963 18169.8475 26661.1064 15697.9955 5556.6726 21071.0597 6174.3345 6318.2112 29905.6581 12719.6180 40394.7038 97866.3245 45967.3021 78825.8517 2291.3933 26442.6957 11502.4413 74057.9282 28813.2474 21525.9928 15932.3761 2745.0297 13235.9613 13918.4512 22125.6070 29248.1285 29256.5962 23613.4121 36540.0920 9089.1266 15938.7340 35129.9461 41992.1393 33722.3517 31656.1533 5797.4886 20155.8127 13335.6412 28260.0677 59123.3285 23967.8534 63050.1239 38662.2261 37102.7388 147551.9728 21134.8118 71967.1570 72410.5777 87210.3059 45880.1774 52756.3550 212837.4254 45261.4038 40622.3472 19400.4292 62220.7227 36174.0118 31959.7797 12760.3530 64996.9197 80182.2861 13133.7187 17534.5810 90978.7210 8178.5921 39508.9717 49174.5440 27939.9684 10494.7943 25185.0676 14795.5499 11803.2935 45230.5882 246513.0577 20044.1467 45279.0973 278044.7363 43254.4880 93606.6095 11460.0735 15063.3885 50048.9467 5445.6847 13813.4642 33345.1322 16880.2023 54823.4848 63628.2591 60761.7204 32190.8442 15033.1802 56895.0817 56722.6015 2-hydroxy-4- (methylthio) butyric acid 1436.5746 7991.6561 2559.0718 16365.8509 3906.0517 15010.4097 14264.8700 27598.0621 921.8359 2808.6195 4238.7960 7226.1578 1936.4041 2524.6685 11315.4868 10619.9085 2986.5040 12738.2998 3625.9365 11186.0390 8267.5380 18120.6671 9203.4285 2226.1359 2808.0557 2843.5836 4188.4055 6984.8587 6680.0438 834.5096 227430.1033 28615.1354 27212.1644 12505.1099 24337.3464 9652.7783 25408.8920 8157.3753 1865.4668 9992.0495 7420.2558 20755.4774 7432.9890 12156.8426 15190.6821 6383.5016 24050.5584 7514.9024 505.4799 34847.2423 1274.1190 29467.1248 2894.1171 17218.2226 19031.6478 9165.0656 38851.1150 31160.2439 12799.0928 11815.3291 6120.6485 3938.6643 9007.6066 6499.5665 17350.7154 3489.6408 37832.5101 5922.3617 3027.3416 7576.2335 7927.9507 1975.5125 3036.1846 20135.0517 4859.1912 13475.3446 3562.7646 10879.9818 6925.3151 26195.9670 4502.3742 11471.9494 5675.1969 1265.5998 2956.3940 15729.9096 1867.0553 32204.0242 11913.6900 16810.0148 12658.7532 177371.1622 2807.4608 4938.4680 10301.6534 69921.8225 6015.9080 2730.1026 5853.1437 1200.2017 4703.0331 9818.8188 1241.9570 5645.4266 3013.6745 11856.9973 5986.3232 17241.0527 25470.0938 5517.4308 3117.5401 1665.0540 2-hydroxy-butanoic acid 337551.0137 420157.0904 82571.4714 181913.0852 93495.3712 26428.1785 186269.4315 71378.2385 11088.5456 113702.3388 14228.5698 1095872.5920 76918.4216 578931.3912 94298.1897 662876.8855 806495.4514 73952.3769 188513.0542 440313.2004 243041.2805 127174.6975 98097.9610 345483.0436 161114.8822 51082.9416 205788.8973 247282.7888 30421.8466 344498.9276 260853.6000 52665.8011 77303.8806 104224.5207 224008.4803 67463.2442 101050.3643 124384.3092 92015.3085 44038.8959 92378.5953 32811.9982 45634.3107 77729.7303 60786.6846 455648.1246 291584.0339 87585.0188 91297.9538 173932.1392 523007.2700 63697.5292 103651.0609 69653.0340 94169.8359 33722.7063 216845.0755 86429.9227 356757.7736 76562.0878 44290.7051 98920.4241 252265.4399 158333.3878 94428.3600 116082.5881 113180.0404 134612.6522 402165.2176 48087.3419 23342.6331 209150.6545 202870.4700 94893.6670 151155.3389 185616.8126 30635.8471 211521.6611 104714.1179 711399.2157 217864.7775 66559.1942 71469.6429 150747.9584 54845.4619 50921.5086 92890.6708 44725.3936 125478.6238 108244.8416 87036.0136 55589.6483 222565.8902 362826.2383 77812.3351 181669.4219 149155.9758 231292.4908 47166.9985 80114.7865 93108.2432 58775.1205 225306.3366 100108.0052 50469.1205 92197.8666 239603.8958 107659.8753 77563.2583 193336.2685 475585.1744 107045.6557 2-Hydroxyphenylacetic acid 20888.3765 41055.4875 31538.4355 223211.1241 400562.5919 23333.9860 52528.6235 100372.9164 220055.3212 343551.4982 341851.2064 971566.5294 20860.1452 96251.3243 42415.5223 39006.8000 41026.6995 16719.8091 209876.1716 581822.6106 20905.9872 16665.8527 12935.6459 14707.0891 8578.6551 40560.8192 84802.7728 80843.2756 66201.5400 11078.9801 10741.7447 24802.7274 34764.0180 31355.2778 294337.9462 49612.7090 41586.9783 100236.1568 330665.6398 94707.9990 17102.8110 71460.8399 14964.5568 22134.3183 32992.7966 66451.2193 101597.1445 16307.5720 67212.4083 21630.7241 7781.1624 875094.9240 9192.9236 24821.3557 26466.9646 323042.7550 31774.5838 99565.8260 100265.3096 72286.6010 226551.2727 868300.4989 326047.0183 17478.6849 56099.5373 165439.5289 52594.7398 265361.8621 109886.4066 15517.6052 40574.4070 25427.3874 116995.6761 101780.2375 159414.6182 41835.8940 22074.1980 590960.7060 394343.1399 99924.3685 50992.4395 29148.3467 37087.2695 51079.0019 17488.9373 98455.7460 18895.8108 23796.2220 26280.7423 75615.5137 94336.6011 69142.5552 30342.9320 7386.8336 20190.9713 270362.4187 14023.5177 159993.9533 39179.1145 291387.2529 32846.0344 104611.9764 128734.0734 53304.9772 75685.5356 216530.6328 529502.5305 82280.3238 38495.6428 15616.9884 14680.2141 37011.0888 2-hydroxypyridine 28290.4638 31713.0191 75791.0432 30315.5790 34801.1922 17410.4100 127251.0628 24165.2906 619911.2732 223059.0754 46948.4106 16146.4690 46816.3086 13228.6460 37717.3386 26168.0337 38363.2757 50064.8288 34483.7394 31232.2426 28423.4769 13908.1211 37206.5709 10937.4684 10644.2832 32494.4607 15609.4142 16200.8436 117910.6538 35981.2751 31520.6951 75176.4446 130171.6738 248029.6199 30862.5845 43919.3937 52428.4448 32984.6989 27477.6983 27517.0621 33353.4256 75518.2747 32956.1532 97423.7280 86673.1188 11177.4883 252562.5142 37375.2248 5613.6688 51850.0821 7969.2973 135794.9285 27353.0039 184801.6544 41226.3987 49398.7717 67191.2170 70701.3538 80922.5951 34094.5619 33326.0476 22388.0162 35433.8644 25007.2639 109562.8948 48539.6262 255011.8773 35406.6472 22542.5419 29729.0640 50633.9099 18625.8673 17748.7025 34869.8651 12774.8475 58088.7187 17959.4452 92514.5292 21502.2440 131338.8382 23943.1062 65029.3532 23440.9526 7162.9743 29902.3552 106901.4314 39041.9544 93826.3982 53243.1134 59260.9665 137324.6639 216043.5283 29671.4205 5054.3506 37899.4274 11283.2039 43180.8581 12343.2262 16689.6167 30416.8263 107235.8437 166774.2471 107560.7195 18811.3199 14497.5264 27056.8950 23658.8601 15350.6216 314415.5124 26108.3227 23380.5190 37163.6265 2-METHYLMALEATE 298203.6015 106775.0517 177470.5303 256811.8773 273053.3035 119293.8572 837957.2266 53225.5799 286998.9917 145126.7998 214500.8491 15323.6383 184182.0004 206654.3444 19877.5930 178940.2651 83775.7882 56482.3643 22172.5875 140744.9748 152778.1745 65802.5735 726011.1706 67661.5284 326721.5139 301304.1146 68720.0149 586211.3372 237781.9264 189098.7900 198040.0287 62305.3129 956452.0664 1142306.3160 160253.9560 554319.5898 1902980.1980 401782.2298 160033.1163 245458.1714 26283.5377 1181392.8220 220349.8162 792166.0894 786434.2016 46060.9208 1527364.8300 469988.9886 39431.6028 227243.3448 171861.4054 272883.6328 291697.4544 2133578.0660 35884.1966 77827.9630 2004881.5960 1262912.9920 2807589.8740 39498.2703 56884.2807 250550.2237 558225.2825 149219.0593 2144022.0040 63406.3687 1229707.2080 380970.6274 37756.5924 164636.8483 270220.2058 127848.3905 88876.0978 87175.8620 405427.4052 850463.5017 61347.2099 171414.9215 15511.8588 289321.6305 49317.7731 453126.6676 17036.9442 56658.0596 29126.3244 132653.5404 170914.2875 12167.1193 328880.1565 143817.9763 299052.9627 1630452.1530 56701.9570 62488.1058 29575.8742 22001.3723 17301.0962 28215.3142 43906.0826 534076.9757 178406.2588 1396246.7080 65125.7197 144416.2697 61661.4271 44786.9722 35330.3845 24673.3280 2331665.8920 72596.5426 122071.1050 123060.5398 3-Amino-4-hydroxybenzoic acid 71858.9137 42466.9013 23975.9486 28101.8520 9392.7540 7588.1018 32594.1175 20505.2272 26327.2252 21462.4807 15747.3296 37158.8084 16580.0660 8089.3089 28177.0779 71505.7296 70260.8512 5037.9892 98654.0035 47167.3092 11034.1303 9909.4994 4971.2438 2403.5660 5577.6396 2581.6526 5883.9183 9365.8279 3533.2353 13992.9375 17436.9063 8004.2025 30202.8355 2030.9754 6434.8680 3825.3721 16767.6228 9351.6997 7549.8143 5378.8357 4575.6450 4316.0817 3149.6455 7195.0249 5971.5008 7449.5811 7865.2969 17857.5540 3093.3245 14954.7945 12389.3021 15287.7104 11982.7551 7434.0571 4899.3975 7038.7183 9749.5895 9356.0735 14584.4515 17436.5263 13814.4868 14106.6862 18784.1106 30651.8815 11431.6891 22234.4560 31967.3494 19783.5398 8952.0945 13216.2632 42480.4200 15567.8831 18982.2593 4046.1351 14894.4983 9499.4246 10095.8297 4787.3441 17256.5371 12879.7255 12236.3168 7489.0013 16292.5423 3365.0202 8170.3741 16181.8208 5734.3256 5552.9717 22736.3728 25219.8743 7304.1758 9870.7433 38553.0440 7029.4357 16164.3467 48196.3726 15904.9179 20272.4655 7208.8699 3980.7609 19219.6753 20135.6948 3389.9877 9331.0202 4750.0826 8443.5701 13508.3978 13624.4524 14991.4512 15306.6618 13571.2033 15826.4424 3-Dehydroshikimic acid 14657.2381 6482.5021 14804.1642 15667.1889 14337.4527 10667.5595 28501.1803 13931.6055 47918.0870 18469.4923 16937.6731 13969.2814 14611.1032 23222.4765 17651.6995 7616.1863 13211.3447 14601.0716 13320.5813 28694.4300 24185.9108 19410.9915 23602.6601 15403.0874 19232.5282 11146.7221 19910.2396 6001.6304 26167.9456 8560.4157 17016.5088 10064.1948 23175.3612 15092.6390 11866.7549 13964.7317 20717.6806 16080.1954 16614.3350 12267.3762 24892.2653 33795.3435 9469.2488 24578.1246 18629.2301 19381.5468 6507.1632 20392.8245 11167.9977 10320.4940 65924.5612 16879.2261 6256.6315 9974.8589 10249.4348 78885.8326 5961.7525 13560.7328 32911.2258 21060.4980 15330.9579 9797.8941 11618.1809 10352.3002 19685.8738 17176.0131 570934.2485 15686.3923 42532.1729 8939.4281 15434.4814 17011.1900 10941.7253 19796.4407 15617.5253 12910.7279 3-hydroxy-3-methyl-Glutaric acid 3340363.0940 7528940.4660 1358338.7520 1221480.6670 1012055.6040 1884517.0500 409669.3485 105760.2524 2453661.2150 1021520.7210 1061568.9850 735291.5518 156450.5396 3432985.3840 88358.6144 1115064.7280 4390692.8670 194978.6109 511282.8149 174388.6036 249894.7726 5500420.2300 4925081.2120 544483.6439 1223851.7540 2872492.2210 1013792.4080 726489.4653 287744.2846 2327096.9420 534458.0490 408518.7394 291816.5539 1451436.6770 438720.1799 246056.1755 957600.2042 1018286.6710 3039873.8410 2107529.8880 226780.4485 187017.5800 535351.8611 150430.0188 915344.2700 208085.6722 2456191.6040 4118214.5130 119043.5755 2112584.7420 1686127.8770 167325.9527 1928164.8380 337081.5477 190745.1901 352528.3910 1424973.2870 1470302.0530 2959190.5070 312035.9153 173499.0023 1439626.2300 2856933.3150 220464.0045 5703830.3600 631632.2247 456346.6910 2150020.5000 153855.9609 98773.6816 105791.0227 177152.4800 534920.0392 1450319.3920 1079456.5680 121238.2242 72514.2824 409981.8202 351094.5748 781733.5330 1369265.6440 262028.5795 101751.0648 875887.2376 71941.8483 251981.7375 2501681.9390 424325.2406 546713.7614 529906.6345 8638570.9840 109855.8238 70752.2441 75209.1146 324803.1515 117893.8142 363062.6915 199160.3332 179836.8834 268453.8119 2360582.5550 1440156.8650 1359164.8260 715997.2733 261342.1856 57684.9462 329342.9754 364205.6670 2379137.9600 404849.4049 181081.8880 254672.0331 3-Hydroxyanthranilic acid 5929.5752 12608.4695 5718.0584 26816.5424 4273.2955 15448.1857 34722.9172 8411.6446 13172.8566 6307.6287 13175.5778 9985.3073 30006.7528 11779.0262 16412.5308 16443.7892 11239.8472 42114.0818 24235.0547 22003.3969 12905.0232 13067.4313 13839.9915 4691.7121 12144.0506 16809.2027 11710.2721 16258.6407 116943.2189 23652.8200 55978.8743 20637.1026 29252.3153 75514.2275 38919.0780 21816.3488 53223.4499 30471.5264 49772.8316 18555.2718 27093.3085 50139.2299 22475.9934 27396.4043 47520.1644 11893.7942 59765.6513 40415.1283 9874.0877 33563.2104 10084.6814 73160.4572 40696.3679 113403.8289 32219.9840 40818.9537 98353.8003 59810.6458 35776.6228 18160.8935 76366.3793 36882.3653 30275.1299 26470.6804 139120.5196 57053.5773 82078.2730 51780.8700 7604.6858 47082.1529 14995.4388 30282.9619 25053.8290 11004.0049 2577.9723 36381.7492 18230.7415 29384.1413 25621.0172 25654.5732 15664.3163 50333.1842 15353.9450 6357.9200 21976.2142 46732.2169 20675.9463 17819.9225 39963.7853 47141.6067 35113.2150 108208.2473 39299.8881 15006.0589 13776.2352 19831.5276 48760.5859 7078.5963 33636.6026 3250.2353 24933.3539 33504.9336 3272.0830 91095.9686 14468.5707 27075.8273 9599.6756 18469.1117 59729.2891 44202.8660 12935.9683 21366.9212 3-Hydroxybenzaldehyde 5090886.5610 2024695.3050 2336245.4690 3387141.3600 12047063.0700 1095236.8860 807475.5711 6316616.0910 4889476.9740 5533750.4500 822439.9438 1996033.7020 1909920.5990 1207230.0830 2542954.2290 11809391.9300 3123063.6390 126496.2619 2208328.1850 7280125.7270 117988.2918 3521230.8600 173393.3762 489659.4782 505359.7408 4579527.6900 351383.1461 416562.6702 409096.5894 1821480.5630 189298.1514 529021.8250 5499192.0710 435284.0710 2283045.5530 3319463.3610 1634729.8480 96933.9812 583082.7702 617824.5294 201907.3107 298261.3912 134060.9640 324954.0593 456583.3061 4440149.0490 1192292.3380 5578438.0480 46881.1986 578950.8876 385938.4061 211052.0404 510535.2321 35395.4748 582050.3325 220709.8494 509274.3028 417747.2861 421628.4425 65515.8544 147631.8658 162432.1484 246446.6255 7108311.4460 854207.3813 1505865.9180 455707.2999 3429871.0300 486057.7908 1143752.6090 1496071.6180 1264889.7310 2483275.6860 363467.3134 5010377.8950 506170.6411 1008753.6340 199083.7119 988284.6297 531585.7002 3351945.2900 498180.9088 3483590.3770 114572.5212 59568.9554 1872047.2270 1913949.5760 466644.4663 2366477.5230 80504.1324 2318765.6450 367672.0088 533171.7277 615011.3057 1261921.7720 312528.5075 410724.0419 890473.1627 489586.8004 823370.9240 4408519.9890 2164312.6640 423374.6587 1494420.5850 3227202.6640 1067822.6010 1696010.0900 1362340.4660 2896421.0990 225652.5345 1345301.5530 440007.7647 3-Methyl-2-oxovaleric acid 396810.0849 147065.1696 360639.3477 1180127.7410 494809.6311 156501.4126 154220.2102 326579.4195 885038.1858 71672.8328 167373.8422 479531.1978 1087990.1170 387991.7423 228185.8201 754738.9909 51815.5951 25638.7188 544526.7496 545745.8759 653543.8690 30042.3033 157068.3364 255945.1212 703261.0359 114865.0410 40026.2683 336204.9744 584889.7989 189958.5005 490397.2198 575430.9289 388060.3064 206298.3377 251321.2490 124213.4997 69001.8608 178095.2515 377119.9531 225990.4358 81009.5728 75972.5627 74944.9546 167879.5213 427745.4622 348533.1069 405410.0611 37067.2303 1096462.6180 233106.7563 163443.9658 172447.5773 49925.8717 170620.1326 122767.3979 5744.9014 545536.3720 98174.7399 23017.3552 361243.9643 21568.0835 353901.3132 949070.2822 733088.7877 294237.4892 284468.1597 94216.2869 378391.2634 201992.1707 155228.9046 352860.1920 381602.5636 102086.2569 190188.7597 2891.9260 35339.7535 18531.6728 630301.7088 935461.1922 80330.4422 18869.6893 515014.5739 65031.2558 140673.8723 442631.6292 66021.1533 340760.9810 375285.2299 426341.4181 1702250.6310 167526.0449 518876.3735 40477.1719 236566.0052 61527.7866 27316.3755 231349.3359 110769.6754 165572.3624 535922.6465 754000.7035 191400.9760 102852.3192 104071.9980 298457.0430 132510.0665 479829.6993 694197.6684 360018.4289 98312.9407 268591.3221 3-Methylglutaric acid 53660.6076 30927.3960 56404.7832 74984.0317 339981.7902 56766.4588 46694.9096 30292.9560 68267.4949 109977.3791 17331.3131 20776.4815 21626.3280 36556.9532 30301.0822 47087.1179 50581.1607 17802.8798 52686.5871 70208.5866 10247.7488 42473.8479 106495.9327 8403.1322 38194.6395 6087.5412 26646.8133 34956.5912 24520.5980 26414.9700 31491.8353 72689.7560 38083.1523 8360.9809 36899.6063 22119.6193 23933.7731 48762.9678 15721.3599 1223.9970 25861.0489 49489.7608 47747.4535 77959.6227 32057.7464 45317.9172 43824.9988 57633.8860 42163.2630 33760.4710 32940.2913 77312.0367 47414.4136 82092.0672 24295.6331 28480.3481 48320.3224 47773.7414 36710.5952 45356.4444 90008.7983 16166.2454 28042.7088 25219.3456 39821.9636 55067.4606 90482.2490 24172.6208 42079.3686 43082.0979 105852.1519 72212.3734 37913.9461 7849.8300 43402.1928 65791.3080 11073.8763 15739.9068 45331.6998 33335.9066 39486.0112 35531.0975 114163.4584 18699.8871 19239.2537 145554.0420 14010.7026 99668.3105 53555.2026 22018.1648 14154.0176 105488.2391 66672.1791 15018.0578 59911.7668 32553.9734 17189.7657 31365.7982 12699.7216 13323.6509 27129.5779 24157.7762 18389.5815 14687.4830 35109.7795 21776.1950 28504.7385 98159.7045 129015.9301 33839.9841 26049.5574 36944.8290 3-Methyloxindole 8777.1608 41749.6629 10592.5588 26074.9922 34705.1742 292552.2855 6074.3886 13147.2593 16231.6755 64565.5098 188677.1793 54352.8542 1947.4215 19652.3762 6759.7761 28576.4643 145044.0669 3612.5476 19882.5924 16903.6338 12665.9396 46250.8635 2736.7251 2506.0884 8928.7357 5472.0182 17399.2208 3062.5608 3215.0573 13643.1521 10459.3936 13956.4037 14435.4606 5809.6522 40356.3114 190.2591 10173.1013 4446.9413 55923.0567 18926.8638 9089.6915 3760.5044 1889.0637 6008.8937 3445.4200 8395.2349 8606.8757 13857.0471 583.1637 24339.9429 5944.9584 5359.9165 14626.2517 5524.6608 8622.5270 29985.6924 5704.9504 4287.1561 4249.1681 10714.0658 9743.0649 27106.5273 40037.4081 42550.7800 9587.0246 3169.7805 5993.9562 2233.2611 11266.8435 10337.4038 6237.3977 7213.9426 30264.3557 35727.3142 10808.8508 23049.3289 45723.5249 12054.9894 54397.5464 8511.4796 27140.3274 66299.3832 16318.5980 10065.6443 361896.1570 9630.7559 1783.3306 11754.4521 2630.5041 33347.4654 19621.8406 6988.5467 13146.0994 2262.9171 10944.8602 2258912.4370 18165.5072 10869.8361 34426.4466 5909.1007 7594.7841 33435.5187 11167.0629 50599.1207 12515.5095 4946.7578 15916.3627 51765.9467 9131.1553 12883.8583 5019.6424 16344.3298 4-acetamidobutanoate 14012.4039 78824.4386 58411.0396 17714.4999 20691.4477 85267.8904 39908.5549 49634.4719 96303.1213 4-Hydroxy-L-proline 3995.0144 18030.6580 128596.7375 23476.7655 11980.7254 73034.0952 23028.5007 21280.7664 26415.9222 166766.0084 206864.1385 46190.6794 24835.7264 47664.6051 36841.6900 29122.4541 127772.8101 21932.2860 61337.3172 18853.4071 51385.6399 10047.5864 5585.9285 46342.3933 34072.5352 20194.7265 8863.5622 48307.3300 15455.4846 63301.0711 27378.7320 35779.6657 19708.1557 38680.6106 18541.8259 38526.1839 17936.4447 28470.2590 36445.3189 40322.6838 25349.7625 14739.3656 15707.8222 48496.6478 33354.8198 79312.1747 12911.1908 16012.4103 31353.0648 6274.6317 64905.3239 57415.8778 12045.9605 19795.7853 44293.7386 64588.9250 40968.6150 40641.0623 33498.2913 37379.6697 23623.4369 23472.6168 5524.0267 86672.8815 71654.6285 36425.0262 19979.7687 207452.4069 34287.9412 52972.3162 20913.9748 49341.2836 298379.6294 16055.7797 26889.7659 36070.0014 30646.7186 57705.5757 100615.7660 76093.9331 45412.0176 36211.4873 5337.9513 33164.0620 11533.8118 27198.0191 12802.5960 8445.6187 16711.0631 48921.0417 21384.5312 21699.5359 16690.8855 38991.1583 509595.7544 111247.4415 31786.0046 31120.6891 43402.7065 15070.0030 23904.0360 22202.1935 565990.0753 19335.9999 40341.8635 59465.0404 49268.1051 76444.9699 27761.2211 29974.7203 41888.3629 4-Hydroxyphenyllactic acid 517.2284 5190.0423 3774.0023 5216.4223 3731.1148 7513.6896 28304.2070 13510.0655 7697.3392 10677.3052 7817.6484 11481.2794 29926.4165 2724.3541 4966.5056 5397.7105 2007.4840 20042.5465 3918.4560 9563.7778 6962.7919 3015.3851 25138.9931 1268.0295 3375.0810 10506.0465 2207.0548 27427.8595 196317.4685 11077.2080 3099.7867 72683.2896 79764.9734 270796.5826 11755.8847 23281.4538 93482.9624 19493.3725 4114.9114 23078.8045 6451.0134 77965.9947 36437.0089 64702.6309 68273.8410 3145.8581 72401.5648 14930.0537 1578.5579 28088.5510 1397.8248 83136.4015 7099.7169 76628.4907 24530.6583 11954.0032 16653.9849 79680.2840 12579.5820 10720.9810 6762.5428 6457.7074 14032.7434 3817.8310 72278.8732 18046.7391 106764.9797 1881.1596 1957.7522 12026.8209 5482.1750 10024.5987 5771.1642 4618.7258 873.0921 12203.2079 7287.8724 13775.6469 4128.6476 29190.0344 3587.2509 13662.9062 1615.4138 2506.4096 13190.8115 59077.8587 5180.9625 10209.8331 41566.6004 20756.6480 71644.7504 130088.5773 5734.8209 936.6682 6468.2874 5130.1713 4185.0853 2105.5314 9199.7891 5255.5502 18193.2688 51419.4927 1852.9282 10818.8149 5558.1179 29181.7270 9291.9742 5051.7695 68098.1348 11197.0856 3881.2184 4125.1499 4-Methylcatechol 14347.0215 87938.9416 39490.5666 10198.6819 231870.5713 56310.8304 600152.1550 31402.4993 28485.7759 745970.3973 76970.1880 152016.4529 253858.8263 25602.1881 41490.3064 24818.1445 20191.4156 182975.7099 39238.6299 101307.3589 23892.3821 24544.9486 91271.3489 7113.6514 63477.3157 96617.2351 25102.5218 106672.3462 217059.3883 110137.8629 53609.5693 378614.7742 327366.8147 197991.9038 85649.2625 161508.9797 519557.2837 220624.2348 103091.4694 517468.3193 104684.0118 538372.3509 136676.0430 255467.1350 333675.5606 8405.1787 559863.2604 166469.6741 21313.1834 60685.4230 81195.3749 293287.3458 112577.5434 418738.9459 155607.7628 269785.6234 163984.6083 243756.2983 223370.4253 52278.7267 185551.0009 116643.1669 198720.9087 37050.7122 692866.7008 245100.5723 1060102.5390 108490.2609 122674.4969 162237.3324 243626.2824 73020.1034 63910.6625 61419.7832 9857.1072 397058.3640 136949.8316 103129.3852 78732.7756 709587.8232 45013.7868 246573.1285 31680.3241 117095.7755 89120.5476 464791.8132 24382.8202 473695.6463 104705.5500 241799.9254 1108121.4340 696556.1945 65947.2895 290535.2645 151478.6975 94563.2839 275046.5908 22315.2819 127589.2894 21511.7153 156828.1000 292592.5017 41055.4155 44060.6374 95704.0861 469298.9553 41932.3281 64639.5837 144178.0270 157555.8151 81528.9570 127615.7465 5_6-Dimethylbenzimidazole 367.4465 4351.0222 1842.8135 672.7106 329.7768 6049.5386 70.8083 233.5287 1138.7994 2908.4814 1981.5635 1426.7440 1143.6508 3433.7070 1888.2130 1139.4566 4671.6842 814.2166 441.9297 128.9780 420.3530 1604.3331 441.1816 3002.8074 152.9808 231.6073 114.4689 486.4469 141.6701 330.7355 235.5439 79.9098 533.7775 599.7073 213.0839 5900.4661 3993.0909 2206.8247 248.2443 1240.9876 464.6286 309.9965 1046.8015 1444.9190 1132.2259 239.2639 316.1292 258.9522 2251.0203 1183.4172 978.5153 507.7857 2856.3446 547.9000 268.7472 5066.9956 1113.6601 246.3381 535.5838 492.7757 133.8062 1034.7780 1751.1231 3550.4139 261.9779 104.9976 348.2766 760.6649 1161.9748 1099.5753 1970.2382 3977.1799 5533.5135 138.0144 2010.3468 12164.2699 110.3874 189.5189 545.8081 71.2732 86.6151 1371.7317 1292.0136 1861.9484 277.1852 175.2434 1093.6714 209.0909 488.9994 1067.6886 688.4420 16985.5179 203.3409 5624.2972 5804.9199 1402.1505 601.8091 457.3673 145.1941 2758.7413 851.9236 9398.1946 386.5212 152.9301 5^-CMP 4837.2367 18415.6162 6307.0573 9179.0926 10542.1986 3793.7181 11217.9533 10452.3394 11715.5740 14605.6920 26655.0903 8366.3843 3633.3180 6466.8344 15160.7398 7072.9427 4918.9436 10421.5958 7462.5417 16287.1615 9801.2815 11400.4888 4145.5424 3808.3689 2372.7190 17503.3018 7780.1581 5790.0994 10744.6026 20637.0290 5734.1115 12752.7054 20379.3364 18672.2025 9851.0988 4375.2783 915.0051 3054.2493 35386.2869 5072.9196 6648.5279 5659.4523 1325.0443 5980.8890 3728.3119 9639.3694 7339.0485 18608.8219 2674.6926 18119.0864 4311.0638 6743.0095 3252.0807 3272.2415 6366.8476 6453.9213 9972.7300 11178.1065 9817.2227 13114.9734 12124.0225 8597.4549 7342.1616 9159.2157 7380.7249 2485.1176 19899.0007 16377.1709 8737.1020 2308.9937 17335.3259 4090.8353 7082.7384 16622.6086 3199.7108 5472.9678 10366.1925 13161.0422 8382.2989 5907.3810 16049.3761 4881.9356 9256.0438 4005.0998 9941.9321 14528.6204 6154.0372 16850.4455 13865.1153 11368.9491 18445.9965 8211.5286 11741.6956 3517.3750 12567.6945 3614.1349 9264.1457 6368.4853 4945.3663 6713.3983 11363.2722 20767.2994 3872.5363 8521.0512 4656.8613 3964.9517 4756.0074 16786.7084 7645.5807 8566.4778 6821.0544 9802.3898 5-Hydroxyindoleacetic acid 581.3529 3560.4878 2089.8049 9111.0549 3948.6610 4533.4880 6765.6874 3978.9020 3025.9043 2734.6645 3767.4821 7250.0101 1934.9610 1811.1365 2420.2133 2128.7187 7331.2174 4480.1944 2144.8910 3605.3299 3510.1755 3269.9906 4564.2382 3812.1724 1140.5032 4129.5041 1610.3366 3231.8686 25393.8300 2433.1129 1450.2448 8218.7467 8328.7092 9705.7283 4711.6044 4447.7141 39276.3448 5621.5288 24191.8864 3030.1522 3199.3266 3769.0979 3117.8529 4069.4558 4723.2707 2717.5059 9194.4056 3312.2725 240.2025 11555.2346 1349.2906 14681.5032 2163.6466 6289.2507 4950.4159 2009.9265 7041.3502 6192.5758 5937.5524 2063.8661 1731.1719 2748.4971 9654.5318 2631.6349 25335.2984 2878.6581 8817.9384 15298.3233 2469.6332 1505.7876 1299.2248 931.4089 5138.5770 28679.5792 150.8026 3629.8445 6353.2106 5807.1594 13918.2470 7713.5967 4940.1752 5621.1952 1000.8324 2728.6046 8429.2028 2405.8282 2919.7084 4922.4948 4449.0354 12651.4577 10911.9309 1652.5330 6024.4824 6347.7797 7473.1000 8151.9507 871.0819 2588.6065 2536.8929 6296.3344 4676.2804 187.2049 11655.0141 957.5936 2722.1026 3896.6450 9597.1218 9404.4450 3008.2476 471.5552 1964.1605 5-Hydroxytryptophan 141721.9396 225229.7906 119477.0473 145370.1504 229716.2028 77722.5206 57346.5234 94509.5716 363434.4914 138209.9973 309424.9296 94319.0993 16101.9621 16502.3078 69994.3630 124839.0437 3070.1954 4522.3801 176681.7642 78499.7758 50216.8776 25503.6359 66615.9700 5271.6743 51129.8495 76124.4790 73517.9198 3417.0853 30072.0218 102372.3967 157126.7579 60207.9159 221557.7424 35175.8562 60157.5820 121327.3958 11002.7553 23450.3145 11208.6902 103085.9069 43980.3643 58300.1960 3168.2287 22309.7459 22617.6948 21231.3920 62481.6643 72121.6432 4301.6557 96435.9964 83230.2950 20627.0324 112954.9673 34012.3078 61140.1678 38941.8723 23428.0285 18515.6724 80139.1913 64809.1149 42866.7231 88637.6684 86176.3704 76037.3758 25403.5827 83325.0626 320032.8978 23409.5741 22767.8890 5140.2319 46838.2504 29538.2512 21332.9028 59356.5001 8391.6727 3417.5466 21148.6405 70327.0647 43877.0126 57868.6123 13660.7704 3818.9422 36077.4267 3292.8395 67001.0247 53071.4804 147474.6414 110361.6629 64015.2226 55509.2972 26996.1212 22132.2518 41710.2097 18502.5861 48982.9831 94961.3781 39163.2126 60368.7724 24285.7609 8986.6151 18871.8652 25469.9265 37105.9743 29586.2532 8713.1560 24786.0595 42261.1691 5774.4532 37466.0541 12843.0570 18692.3050 26593.7774 6-Hydroxynicotinic acid 38887.5230 43348.8768 83305.8212 26926.4736 111644.8579 45186.6766 191321.8761 121292.9367 19177.2874 27505.3406 7295.2795 37618.7390 20240.6072 25854.2587 150199.5209 162835.8196 30520.1148 39861.6290 8412.1431 11647.8217 7044.9187 8694.8226 21420.9635 10466.4668 37830.2699 4924.1400 19802.7565 39398.9874 44763.9197 6-Methylmercaptopurine 4208.8806 12828.2974 8093.6609 7084.2579 13165.7398 11550.7402 54415.1519 20445.7164 9878.7070 11948.0364 7283.3572 8615.7966 12046.1407 15383.8234 30151.1834 7126.7997 6094.2082 33516.5455 9872.8562 12300.5788 4397.2686 16239.2544 29002.4485 1307.9445 8527.1315 6663.3471 9081.5380 54754.9233 74946.4796 26586.2928 20250.5068 87456.2676 70530.5979 39649.2184 32780.4014 8112.7097 70151.2148 31923.6757 32417.8003 7379.7290 11407.9176 34719.2960 38000.9872 29109.9000 54829.2796 6092.5931 109910.5351 34975.8116 5842.4286 11630.5210 7779.9096 84233.6685 33415.1145 103269.9181 47189.8676 24045.2261 80172.4836 72703.0093 54786.4013 29819.2402 34836.0992 7272.0043 45408.8050 17560.1520 73842.0721 47383.9393 186403.3668 25089.7872 5376.4946 67072.7058 24303.2404 935.3035 27591.3873 3536.6406 8000.1417 37725.5375 45747.7435 38907.4816 21804.9870 41215.8683 7661.5241 28626.8666 16985.2859 8580.1593 13698.4207 69051.2520 3640.6128 15366.8655 55129.9678 18191.4827 17468.3470 207753.1556 22982.8484 21422.4279 13362.6750 32656.1623 38912.7843 12522.2594 13651.0989 5435.1132 18130.9164 30737.9204 3185.6749 6679.0723 32961.1243 24252.0028 16776.8580 9531.5999 79360.8262 41101.2464 12707.5571 19233.7165 Aceturic acid 20406.4029 88555.5312 10164.6644 157503.6801 211668.4570 49831.6586 625931.3157 188310.6043 437122.3794 Acetyl-L-Leucine 1488598.2310 770261.0764 1017257.3900 827765.5046 356875.8425 303937.9826 280251.7770 107494.5695 90345.6284 874044.0138 308516.3415 447786.1675 23312.8196 1407411.1380 63914.8218 2211260.5760 2199428.8110 326488.8618 412619.3159 599680.0710 271225.1775 68659.3265 286454.8547 90777.9963 366476.9507 87768.0158 179227.6077 101457.3806 107369.0323 464411.8661 290020.0114 105257.6454 366287.5879 5579.3786 809657.9150 5207.8018 90722.6982 310763.6619 801451.0156 28124.2763 130270.8835 134082.5240 64609.5559 269295.3759 43118.2625 765413.5393 261367.8150 369167.3228 226643.7378 223713.5911 397665.3094 202388.0319 708146.8966 418961.8273 242269.4899 539480.4991 283854.7119 804671.0650 610669.3226 426544.3429 411292.0025 164944.5701 198404.1650 722325.7680 627021.8247 485408.9311 426376.3189 397780.7010 981204.7905 664271.2254 123304.0078 416653.6502 559327.2595 175044.3426 531531.4536 372744.3587 71471.0570 280795.5994 570261.0040 297456.3592 441357.1061 194270.2096 650302.7519 148762.5849 207351.1282 270338.3265 350983.3083 351092.3421 737956.5420 712805.2965 610750.5306 295282.1478 548614.5003 164480.5204 399037.1580 387686.9680 183958.8917 480573.4108 344082.6987 107448.7877 46784.6413 25816.2340 126352.1521 28594.5639 182537.8699 262114.4718 1035377.6670 1200651.5730 404182.4464 460548.7353 230171.0060 701445.4587 Acetyllysine 9907.9595 4484.4815 20093.3100 39477.9486 7427.1117 36642.1791 23498.2792 17098.3875 8515.8081 4430.5078 37806.1815 18733.2658 8908.7661 28580.2229 12650.4626 15645.2532 13750.8519 72054.3474 38040.4751 21644.6369 18353.4253 7703.5650 55141.5260 12351.5325 29879.7926 31269.2950 21140.6162 12685.3707 17782.4258 4936.1088 8703.6368 7437.3173 111817.6860 51475.7451 17895.3327 5803.2695 46801.1669 5556.5462 13199.7682 8869.1246 12686.8264 9443.9944 36414.5732 13983.5594 10207.1703 34252.1363 8536.6383 12376.3428 58278.6872 7163.9091 10069.2915 60389.2136 7003.6315 18450.1539 4424.0749 3534.1103 Adenosine5^-monophosphate 6468.8860 67067.4187 8397.5697 8319.1048 3718.6770 5315.4569 12184.5481 21989.8540 12339.0910 25454.9141 64115.1379 12569.1560 3290.9304 4390.0084 88941.8032 23217.0280 2572.8707 6776.7261 6516.0602 21386.5976 3429.1606 7518.6582 3273.9294 3695.5394 1750.6210 38803.3007 8578.9102 764.1392 12719.2644 73601.4590 20074.2331 7841.7840 39118.5176 28737.5359 11252.0271 2380.0318 93.1118 1157.3298 27593.7197 3582.1793 2595.9079 10124.6102 1404.3238 5932.3799 4425.9142 17541.7774 15112.5235 35945.6458 1590.0524 29428.8339 8610.4401 7584.2035 3047.7809 3156.0371 2265.5143 2165.4091 12543.0941 5314.3808 4318.5814 15993.2618 5756.3333 11846.8285 7233.3619 7642.8972 6287.4401 3904.8583 10190.3418 12418.9896 20169.1888 3980.8058 84074.6137 6044.9169 2634.6013 6667.2029 835.4738 3128.1679 6831.6632 29194.8599 5091.1013 2199.2569 10495.9271 2225.1763 8241.8660 2755.8723 5552.1158 9772.0976 7322.3091 15359.5349 8805.8424 9320.9892 13194.4410 14287.8154 6689.1764 5276.6813 17777.7231 3978.9333 4889.9424 7295.7696 1449.2066 4841.9099 74901.8891 14239.2781 8808.8499 3823.2130 6457.5824 2965.0575 4810.3477 14837.9174 3127.6525 15208.3181 7056.0975 6169.1612 a-D-Galactose 1-phosphate 67882.0584 158408.2334 86092.4852 93254.3668 123459.0192 56496.9485 31727.7413 40970.4566 201527.5735 298485.4979 234900.7543 72461.2767 33857.4884 32292.4664 88890.9713 121571.8308 27831.2464 27088.8297 77875.6030 50172.4912 79777.0820 50712.7942 39616.6749 30767.1978 185789.2814 51962.2645 12961.0341 148649.3710 167820.7487 47391.1275 122651.9795 65944.5293 86592.4428 36506.0507 94555.7551 30367.0791 24331.3474 160575.7298 128737.3364 23045.4812 55581.3361 27075.3623 20218.4488 25233.1668 31603.7451 66344.2639 89671.2786 10066.8740 203747.5446 45046.3859 130748.2795 48067.9540 39522.6900 61998.7152 58358.4919 35836.6875 197677.5401 44343.1254 63245.0773 69828.8805 50366.3959 99518.5764 147742.6070 64909.8640 76052.4541 151353.9190 66889.0255 58052.0791 24142.1149 50887.7214 61370.0379 55817.0567 39067.8389 31709.5766 17471.2752 61026.3698 64406.3773 66243.9601 89064.5082 118789.8189 19233.4685 46838.9141 22884.7295 66579.1589 173100.8860 38776.8698 197586.2348 84474.0879 44998.9396 271090.8858 110623.4721 135124.8155 14641.9495 68462.3056 37553.4376 54533.9688 30172.0620 59017.3369 21670.0346 76434.1782 210209.1043 12560.6799 79311.3390 19068.2785 31059.3823 44350.9269 54223.9388 188241.7522 46516.4725 12266.8317 62695.9499 a-D-Glucose 111202.1124 21094.3049 114248.5816 66391.1366 143118.8788 166424.8679 64124.6490 205869.4481 140769.1014 124276.9913 116367.6411 157725.2501 777457.2388 81521.8197 39497.9520 79861.3725 73843.1572 114193.7092 781918.0213 100248.9499 60639.3666 128594.7196 101289.1664 20418.5027 25122.3150 162938.3182 32573.3469 19413.7265 95757.7470 119738.8234 74356.4852 88015.2000 91297.6856 137023.0165 98220.0119 149295.9703 102419.2770 35445.8437 142918.9485 100964.2214 71347.1604 66941.4379 20687.3056 112161.1909 165383.7458 48303.5596 100495.3836 96205.5229 60552.7285 74373.4828 22572.4543 69559.3668 66127.7231 124359.0285 73796.3458 112554.6633 173059.6394 187922.3506 89694.7161 113730.4089 71733.1270 111185.5056 2738.5497 56406.3789 174802.1702 117808.5760 112477.1974 104199.3826 113138.7650 93916.5120 69173.8133 87351.4720 60063.8060 62648.0565 58145.3906 75376.7988 139236.5086 82776.0655 215579.1911 238531.7128 107094.1893 60296.4469 37753.4488 21749.2446 83315.6949 111648.1817 89881.0911 154829.7836 101249.6036 51286.1529 28392.0461 111009.6330 74372.8666 30404.4483 129365.9410 48901.6018 189271.8811 65062.4436 90779.4487 97342.0200 124397.9225 82116.5039 40113.9795 181693.6500 55272.1897 148751.5330 102104.3954 70846.4953 113638.2404 92520.2393 47705.8568 78610.7606 Allantoin 164079.0604 198609.5018 166431.4845 155553.7375 176186.2918 193660.6662 200605.6386 158928.7085 269655.9923 112008.3796 176517.6674 179100.6018 270556.9313 141011.7667 150666.3528 248663.7035 115009.2760 209539.0485 146506.8318 173514.7462 121755.6679 235138.0370 269271.3701 138174.1367 148901.4514 59353.1742 217752.4113 81519.9708 164152.8431 239272.0175 266875.4503 78107.7038 141988.7798 175766.2562 269957.7140 175466.2188 242074.2368 114915.9878 84535.6573 148733.3651 204626.5646 153016.6700 108858.9558 145757.7945 191871.2231 219469.7739 201217.3465 261713.2043 178168.8099 42508.5557 196035.2182 122948.8383 347426.0522 298508.3836 214463.9341 168474.4738 215610.9236 170653.0745 224385.6138 165587.7964 309778.9298 216450.0235 146745.5949 153922.4861 243272.3548 181034.1115 186618.1302 150077.1521 147278.3819 214634.1992 140715.3666 317298.3914 444451.9835 175461.7879 107455.4403 120982.7733 246401.2488 177226.8872 144804.1109 161905.1577 178717.5457 118551.4835 154879.5947 99474.0235 205889.0745 111954.0808 352858.3227 157980.7436 246333.1989 178775.1750 39721.8196 213953.6721 255150.2190 69442.3124 217357.3989 185557.1315 299839.0119 279905.9488 227611.1081 103276.4319 160416.4275 48381.4206 187101.1414 189989.5733 144300.2219 186362.8392 277972.0280 103951.2540 166531.0658 319432.9230 260377.2231 281255.3204 ?-Aminobutryic acid 8956.8598 2781.6414 15260.7494 6689.5226 4064.3916 1307.3464 10357.1048 2314.6467 3271.0938 7622.7409 127237.2183 3787.2662 2565.2709 2143.8551 8338.2410 5099.2522 6205.9349 4039.3484 18407.5795 2960.7895 5288.6596 4589.1627 3307.3237 1486.4871 6868.1449 3342.8381 1577.9679 1599.2576 3941.2495 2445.2017 1741.6921 2391.3073 5901.0809 3273.3616 9373.0815 3231.6596 1819.7465 3491.1628 776.9862 7167.2974 2742.7837 1169.7318 2970.5128 1458.6619 4895.6546 1457.6929 3932.6346 1307.6970 7540.5765 5608.6699 4687.0244 17426.1383 12117.5165 13554.9875 4162.1373 5929.6258 15150.9720 1113.6881 6695.4177 11577.7236 10001.4762 4318.6701 5172.3750 2511.7030 3210.5601 26496.5234 9396.2129 1070.6806 1119.5321 2617.8202 21046.5177 8803.1309 6097.6794 8036.3899 1339.6931 2505.5602 10792.3471 2859.9267 1880.8468 4276.1776 4213.5174 1593.2103 13726.8568 1772.6445 25527.8496 2111.3357 11675.6903 4474.9667 6216.6030 34885.1766 3535.2384 8979.6286 8053.2263 3184.4572 16891.2792 4192.6421 8649.4629 3321.2274 3056.3047 7707.8059 2355.4378 1893.5482 2139.2984 1668.7376 879.3325 7198.7086 3272.6609 2597.6522 3161.2745 2805.2371 7176.2887 50553.7248 a-N-Acetylglucosamine 647.9216 6854.7540 2349.4484 1715.9093 70549.0377 3881.2036 853.8288 2632.0111 756.1580 76951.1383 4229.6242 10375.0020 381.4449 1288.3232 2806.0845 3124.2708 13526.9060 825.8680 23745.6184 4062.7634 4988.7532 21533.5846 7092.9186 1093.0403 976.5480 4226.0246 22679.3674 1217.3414 343.4168 7603.3724 10327.6571 790.9499 1425.5537 9508.9571 830.6199 3046.1243 5459.8724 3309.2367 1279.8916 29985.8332 35114.9116 684.2358 5227.7425 5152.6531 4627.1689 2265.3214 54561.6993 1163.3363 10274.5809 9377.4575 1524.7176 12322.2267 6020.4553 10269.6887 558.0808 10697.4832 45442.1214 559.3639 193.2947 10449.8573 11871.5079 830.8591 6236.9603 4709.6336 3052.9881 18056.2496 77.4382 8297.7427 1670.8838 74.1667 1108.1905 22580.2619 779.3288 1813.8894 1208.5786 6409.9967 17958.7408 1272.9030 3499.7522 2099.6379 10166.9049 1116.7166 24711.1949 65431.5006 26509.5603 27835.6003 3762.6992 1906.4059 33805.3907 1018.0722 9345.9830 9741.9260 12760.3095 13355.9476 29769.2131 3431.4975 1106.5752 62742.9327 6255.0615 15720.2225 230.2042 1507.2895 76.4989 2301.8470 1733.3343 1429.5876 5224.4480 3456.1476 2300.2400 Caffeic Acid 11052.4160 16616.3731 13870.1395 15748.7020 13185.7806 29824.2554 224903.9376 10837.9791 37107.1701 2407.2764 30706.0554 13559.5598 114610.6400 29520.0223 38255.5392 22156.8445 7142.6018 119446.3132 23577.8410 69485.4459 12954.4472 10799.6341 273688.3032 4488.7409 29711.6363 29706.4309 16255.6981 116580.5250 193243.4073 77561.0063 15965.9052 891175.4090 418280.2731 448299.3763 38374.4665 45209.4485 449197.2167 108470.5154 51162.8542 61102.3257 20326.5474 395857.6121 184856.9276 182998.6283 536294.1239 6646.6883 605416.8349 144208.3911 11109.0561 113758.3309 11679.0183 827401.7672 66786.0174 352787.2941 168387.5392 142256.4350 208106.6841 542988.1524 126247.8338 64607.7525 77817.1874 49989.8506 177224.7172 68417.1688 272395.1866 143700.5358 854839.2333 60145.4724 8252.9374 173395.4141 112969.2937 107572.9107 91408.6667 14162.1195 4268.0767 162260.1460 38864.8137 76569.9793 35504.6832 307738.2735 21021.8446 84402.4883 27104.7673 34068.7060 54123.0210 695809.4145 12616.6141 55605.4472 303257.5470 104418.5511 48168.0105 1366829.6080 103147.7020 10741.7266 142621.6315 15716.4147 197040.7426 17572.6612 38723.8389 5521.0382 77325.8748 302066.2293 5889.4044 25919.9420 36737.6066 197169.3817 30830.9300 7163.7115 593612.8844 114536.4651 21695.1769 40228.5423 cAMP 97700.0300 398056.2677 322517.5171 690749.7910 312122.0390 290965.5094 166413.4472 128555.0748 231327.7060 1335999.9470 1638295.0370 958618.1430 245494.5211 470208.8320 445363.7672 197216.6827 175816.0836 217462.7392 182911.1854 364781.7900 655519.9656 173140.6877 240901.8496 97714.2271 471239.8017 609189.6783 262760.1702 137351.8626 264716.4050 837322.8155 185323.4478 782338.6586 585636.6136 533760.7680 373188.5843 361281.2753 324727.1670 136078.5065 488057.7548 218663.2311 171676.2532 269615.8672 129220.2354 170268.5833 159105.5155 388548.0610 290583.3267 665817.6904 126080.3729 607790.6020 253074.7341 351992.3035 332464.7334 257739.4148 442056.2668 396893.8220 280530.4743 290363.7837 581659.6092 332154.2007 340213.7955 586529.0912 412721.1335 751026.6134 84195.3053 404970.7680 665246.6566 410382.3639 397661.2947 376818.0616 249278.9977 117407.1983 127642.6356 334590.5290 121868.5512 170648.5578 227686.9891 416841.7721 696403.5804 264770.6604 239429.1951 212070.4290 435192.3441 137621.8000 189707.2383 1040377.1440 273188.8896 407839.9219 409005.1239 270765.4006 937052.1625 433360.1157 450136.1547 91776.7202 466005.0177 464460.6970 273708.3711 258421.1950 256552.3639 140231.6342 760649.5418 970667.8837 173050.0185 317617.6794 193529.9260 431966.8000 89838.1331 350739.1338 452991.9694 513650.9505 225076.7965 107702.6217 cGMP 44489.8442 240737.8892 35454.2285 326834.0100 35372.9402 47806.7514 61299.8287 36200.6023 104477.3011 408104.8662 108528.7097 201314.4934 47399.2257 87046.2483 40728.8839 39219.1029 78259.3148 52108.2864 101967.4955 95339.2258 357981.6924 55415.1054 39911.1263 15795.5100 47990.5302 74897.3743 36397.1518 10234.4384 54594.8241 142972.6920 41007.5397 76304.8452 70636.8488 97543.4759 34426.4922 44751.0832 24837.1502 43446.5208 40908.4256 38934.6332 21226.8335 13740.6933 10218.1184 17331.1594 23269.8405 52738.1363 54367.4389 74246.1591 16749.4783 172647.7701 24848.2143 46270.1309 23653.4440 36319.7819 26292.8789 34035.4193 27020.3596 54378.8706 47212.8833 55654.6964 46654.0854 188445.0864 13567.4075 79712.8914 18254.3812 179470.9588 64495.7986 27115.3215 54979.6002 21048.7967 36707.2597 63368.0533 59072.7747 59594.6746 31873.6712 14954.5346 44468.8340 99819.4856 78873.2528 139800.2074 69619.9601 23826.4162 94174.1855 22587.4858 24906.9267 51473.7740 29903.0425 134553.7430 65539.4898 54577.1911 91510.1653 62519.9059 34046.5724 14668.2908 162010.3849 71602.4353 32906.7365 39335.9002 49918.9608 61744.5404 109346.3860 218663.8702 50051.1842 63177.2274 38017.2679 31585.9404 49246.3141 256634.3087 25580.0494 96953.8537 50034.4741 38827.1864 Chenodeoxycholic Acid 57157.6067 131706.6815 48192.5618 98300.3794 27493.9505 43918.6217 12436.6414 78354.9844 27884.9953 25198.7271 2749.5672 119912.6873 13375.8413 43074.3301 25152.9316 168692.1805 77054.2888 50554.8592 195313.2060 46863.9570 29147.1796 22946.4606 80163.1808 36590.7115 35129.9234 34915.4551 19585.8502 94797.0950 19513.1720 6399.3526 27602.1625 39517.0716 19345.0794 3013.6741 12053.8556 31124.4221 26272.8405 10828.1117 47970.2671 5819.8848 10480.8791 22362.1899 17980.4152 43448.8167 142340.2690 12774.3313 10596.1853 112752.4740 28378.1073 85360.9480 16477.1010 13962.9455 35458.4414 25109.8501 86700.7879 22331.9604 52934.4731 63158.6237 11399.3735 26854.9626 317246.3854 10003.5281 48075.8552 12436.0326 16870.9959 13114.3342 57481.0547 20930.9834 27212.7882 76739.6913 8249.6765 26562.6340 12619.8051 20223.8082 26323.2396 14437.3165 24973.1345 69939.2518 17590.1979 106283.5031 55620.9398 5245.2120 28624.1725 9833.2436 17257.1868 32013.1315 4933.2988 20178.8412 33772.7544 172697.9880 143228.9345 124317.0564 26297.2975 49201.6674 17526.3339 10653.7408 20480.9707 72219.8546 4463.6471 8408.3573 31727.4972 30648.6664 20591.7052 7713.5084 27110.2847 68099.9599 13594.4005 43970.2293 Citramalic acid 42546096.5700 5964650.5150 24974856.4800 29667678.5400 57331730.0200 16582205.5300 29490491.7400 23968697.6000 19532615.3600 31749487.8300 20962709.4100 43159493.3900 13038453.1000 9952500.3850 12381185.5200 40088498.6900 11717001.6500 4701527.8480 39653449.6100 8189380.6410 23079360.1500 24598688.8900 42525290.7800 2698697.7800 35838694.1500 8807630.5150 6112331.3420 464155.7413 22808076.2000 5499737.3120 17973760.1200 12653832.0600 26682562.6500 7459750.2880 16451552.8000 30427372.0800 35199070.0400 1593225.9970 6521468.0530 40573233.0100 14087083.2100 12174161.4800 7853661.7580 5305031.4410 26038249.2900 31692169.9300 14012746.3300 9831060.0880 3364335.6400 7493577.6130 16456554.4000 15570241.1100 30853388.6400 13189774.0300 18246496.9500 4945201.3730 22963857.0100 12368554.7100 43475832.9300 2392159.3810 12263862.7400 4457236.8810 35504266.2400 9498355.1040 16816458.8400 36326072.9700 22455356.5200 22242678.9700 5974591.6230 4040972.9980 27062064.2600 40868443.9400 37044974.8300 2877501.5460 17790645.5400 13587279.5100 10719831.4800 16442089.8200 14642577.2200 41379862.4200 4271629.1690 17687560.4900 39239823.8600 7891331.9910 26776989.1600 13335110.1400 13944244.4800 26262670.7500 19737650.0200 3172623.5370 14476240.6800 17160380.7600 18708169.6300 294066.0005 29448718.1000 36700971.3000 21874640.2100 11445391.5400 4976737.9520 22208429.9400 32885650.7100 21923502.7000 8282399.2650 10808689.6200 8479775.5660 18522971.1000 28606094.1800 8299594.7200 8557152.7790 11524505.8300 10303349.7000 22613462.8800 Cortisone 2272.4278 50975.0468 4738.4159 2249.3495 8026.0676 11732.6709 9996.7301 16876.0913 3245.9613 10195.9189 2356.6493 38921.8599 37437.3431 1894.7622 8294.2127 5163.1117 2766.2340 8081.1579 1473.1018 4104.4193 2829.2334 7181.1590 392.1584 4723.3324 206.6967 18032.6657 3098.6786 978.5367 925.3671 12865.8114 4056.2455 5077.0138 575.2357 9595.0789 455.5381 902.6516 5678.2983 3734.9010 7059.9936 10021.0362 451.1651 162.2843 153.0462 2424.0078 5786.2560 4663.4711 2757.1992 630.4556 25304.8129 4493.0221 2944.2261 4886.4221 6690.5776 5436.7345 1765.4348 4517.2185 2589.8407 911.3817 4632.3754 2004.8553 5820.6220 13199.3313 27018.1697 1537.2783 785.9368 2789.8717 3140.5711 18106.5476 2341.8028 5985.4276 860.4987 7374.2114 9066.1353 8164.3636 3034.9834 2351.4049 3523.5890 5060.6075 6054.1412 3112.6818 17771.2555 3346.6825 69.1390 17220.0867 1813.2150 6277.9909 1431.8172 1020.9426 3737.6229 2354.5028 632.4962 3117.3685 779.5155 77.5180 901.3487 10634.9815 5502.2701 1856.8330 21155.7410 1734.2597 13545.8104 4692.3626 10118.5816 4456.5194 3469.7513 2058.5561 12166.4870 2266.5190 3491.0107 992.5689 1184.5791 Creatinine 1962158.8190 788910.2269 2957994.4900 740851.7059 2461055.1380 1229095.6460 1384080.3320 1844084.5500 1384594.5110 1738340.0860 1893808.4750 1790014.9630 1056519.9390 1505438.6270 1775938.4150 3964666.7850 940661.5230 973376.7431 1769562.2320 1054325.6510 698496.0488 935504.1713 2374413.0790 1881274.7540 4035386.0560 440195.5809 2077375.2410 1991010.0630 1768722.0880 716449.9659 939488.8957 1399617.1680 1234679.8700 980336.4286 1132522.6660 1962594.7310 2846696.2490 1896982.1960 553168.7395 1860120.5000 2402923.7440 1458065.2100 2283358.6870 1345165.4110 2407078.9130 3175210.6450 737702.4818 1125398.0870 1116361.5420 413830.4797 3635319.2020 1033752.5380 3240058.1620 1596164.1030 2673144.7350 1270878.9340 963731.8851 1417773.3090 3291318.4510 909173.7248 1826056.7180 958404.5941 1552420.0620 1150764.5720 1342727.8560 1178598.1280 2386101.1540 1241355.3360 1145935.3790 517836.4524 1778382.1710 3068544.6870 2344531.4940 717631.0238 1695917.2210 2006985.7350 890059.9265 1137799.0660 789665.7705 2146634.5270 767819.6134 736277.0773 1025202.7780 1269680.1530 3524341.6890 582213.6075 2596781.9910 1593686.4700 2544442.0390 1147837.5240 239816.6885 2409710.0450 1612137.0270 741758.2711 2475194.5890 2433971.9890 1741335.1640 1925642.8410 1112055.3260 1130302.2900 1426504.6950 262407.9759 1735611.2370 876445.9426 1249077.5220 1726014.5190 2052962.2970 854059.0873 412292.8351 773456.0193 748156.9856 2051006.1440 Cysteic acid 21245.3217 5384.9961 10469.2404 12422.9296 9212.8780 6307.6173 25798.9561 6407.5685 13609.7537 57837.6266 48414.3594 23339.2004 12607.7082 2603.3845 11236.9714 17696.5055 189229.2163 14826.8477 23425.7052 9107.2760 4672.2336 37868.5382 12065.8551 48466.1079 7055.7506 5966.8852 3472.2490 2812.1846 10087.4936 41804.6518 32096.8786 11104.1349 8435.0449 10441.2586 12046.4370 19456.0234 10319.1119 6297.2413 28216.7341 12471.9855 8708.2819 5452.3961 5691.7966 7074.0505 4495.8469 16454.1649 3885.8870 5056.4738 4993.6901 4250.8285 7633.8846 27891.8777 7178.8695 9941.3065 10413.0697 7969.4749 32100.9643 11447.9768 15107.9117 10244.0667 22878.9563 7190.9751 7684.5652 7055.5892 10002.0747 10679.2854 19521.0232 21941.3559 2407.8697 11611.1970 12787.8228 9396.1704 30263.7968 27365.6207 4804.5865 9524.4743 25790.2698 8173.6924 11185.8830 24677.2706 22073.2411 12439.3042 18067.0785 4360.5685 6558.4376 17704.4462 13024.8274 24778.9091 8403.6171 2968.6421 22328.4677 17384.2276 34144.1728 7513.8786 11047.7016 17670.7561 28748.2165 20466.4306 9890.2988 7422.1118 4881.1094 9096.3286 8849.5824 16979.4792 3713.7420 9362.9362 9755.1473 10297.9068 6702.1323 4425.3732 7248.9921 7115.1582 Deoxyadenosine 2583.2025 5007.0348 3493.8900 1180.0566 328.1623 1781.7011 2499.1798 807.6871 13595.5749 11373.8233 24041.3566 3681.3756 840.6859 2115.8461 26495.9790 1269.9541 2559.3742 946.9492 1510.7488 6124.1597 2625.2877 2439.7749 816.6298 1930.2995 939.1947 1537.2068 2431.8829 2484.5353 14390.1010 4060.6919 4069.4892 4373.8595 610.8179 3811.9785 1097.9615 18127.4113 4481.4529 1625.0971 570.1324 10493.3916 1072.3521 2958.4427 2992.1683 2113.0943 1855.2949 2844.7032 10047.2307 2027.8278 1649.7796 477.8349 4704.7126 3567.6649 3522.8567 394.1734 2043.4609 9325.5019 957.5731 4545.0702 1203.7464 605.2942 3342.1368 1374.0061 704.7532 3381.2483 771.3339 1682.5234 1887.8418 3357.4993 582.0223 444.2430 19512.9844 866.6141 5421.2176 2296.9655 1179.1523 563.6029 6366.9162 1545.8927 1078.2379 336.7636 2116.8900 726.9699 1207.7795 2077.1384 722.7552 678.1587 2992.2203 1833.1865 45382.6714 4554.8836 2527.8198 1790.9496 4135.5769 4403.9433 4720.6303 623.1681 1908.2092 2463.5243 3473.8931 2420.1627 2482.3288 2423.3083 2517.2171 4346.8201 2144.7767 1425.6963 688.7300 2281.1582 2048.2195 835.0352 212.9599 1289.7068 Deoxyguanosine 148726.7950 43050.1183 237635.3105 13000.0166 292143.0066 20081.6172 122441.2894 122299.5656 212015.5953 125564.0704 5019.7195 77963.0070 67538.0164 10898.2084 8385.6572 12107.4265 163534.2099 173976.3521 183235.7047 269083.2067 22215.0090 106109.0017 96717.7263 53302.4103 204642.3107 15742.8278 110337.2693 40242.9147 9942.7549 159152.4047 95725.0037 15866.5834 27828.8762 49232.2501 210034.6857 106284.9828 55016.3687 32076.7251 184311.5533 7229.3633 131367.8459 119894.6681 35535.1885 69711.4006 61247.5484 148168.5054 6185.0713 241193.2182 37169.3582 249785.6776 163646.3247 10891.5486 90251.3031 80152.5925 157354.1846 142310.1212 32763.1036 141177.3197 127249.3961 189447.6190 7588.2674 6073.1229 100220.0709 31794.3705 144233.2777 52834.6975 20736.1764 224428.3318 95375.2756 111385.5318 71356.2122 71541.3715 168768.2032 216730.3833 110859.9756 34627.3462 182258.9303 236583.7218 119642.0583 222906.8119 258157.8305 30677.3867 76537.3258 52844.3017 72271.1008 132407.9885 175942.1419 164926.5323 181468.4667 32179.5668 29216.5972 113235.7769 7497.7425 48299.8095 129187.7958 53256.2262 94202.1847 164687.5982 108517.3921 85970.2209 111308.2195 111888.2337 79652.8521 53361.2919 52692.9274 95522.5674 142633.7541 107606.2885 15748.1121 166271.6044 143483.5498 163977.2302 D-Glucosamine 6-phosphate 1323.0077 23284.3753 2382.2542 5493.3212 6362.8725 3131.3864 1780.1550 2154.6924 6312.9211 14305.6747 14780.3258 2066.7176 2336.5215 2228.7365 26758.2620 3403.3920 3220.2845 1795.3217 2886.1829 2797.9816 5880.8457 5603.6070 1835.1648 394.6388 733.8700 5992.4236 663.5655 785.3531 3328.0825 4358.0668 2709.2088 2744.8960 5570.7355 2724.3726 2075.3603 3272.2896 977.3621 258.4636 5243.8414 2380.4030 992.3953 1167.6380 239.3909 766.5406 545.1930 1595.6199 2971.9117 3683.9960 759.8156 5971.8927 1303.3745 3786.2767 1532.2446 1721.7764 1449.5680 1770.0189 2196.7601 4820.6411 2038.5158 2921.5032 2756.1809 3523.3495 2819.8836 4125.3982 2995.6058 2980.6528 4580.8965 3481.3025 2208.9896 400.2423 4553.3093 1605.3335 2332.0555 3219.0696 2396.7568 395.8987 2099.6824 4610.5973 3431.1164 11594.2563 3907.8952 1225.4175 3937.6877 529.3168 3307.0599 4547.2997 2545.5719 4540.8350 3964.9637 1936.2941 7807.4622 1669.2614 3299.5195 935.1541 3274.5093 4001.8158 4297.5565 1416.4047 2529.9025 346.5507 6207.4022 7358.5306 703.5555 489.1640 834.9833 1098.7154 585.9133 6752.0236 3423.9174 4188.8292 1278.1111 1211.6448 D-Glucuronic acid 4722599.1340 1610094.8520 5924793.1730 6872227.1180 9227556.6800 13734017.9900 2303797.3660 18449853.1400 12158298.0100 10781910.6100 8179810.6040 9983676.1820 4411384.8040 3982415.0070 3052593.2140 3895773.7300 4538315.2810 5497651.7600 6492351.5910 4923119.3450 4675143.2490 11565611.5900 3090397.4800 869135.1059 942179.2040 13272494.2200 893582.4090 339081.6239 4680744.6640 6483719.6210 3758704.6400 5507077.5020 4967121.2960 10537322.2600 3247816.1450 9255027.5590 3904361.0980 785489.7971 4545410.2000 6212993.1400 2217808.5070 1442885.5170 610489.5953 2793691.0500 1737150.2450 2885716.3550 2895887.9410 6372658.8190 412388.7674 6269021.2430 698182.7458 3937605.7590 1822591.9420 1478612.6320 2085501.7730 3492753.2550 4583943.3890 4786474.5720 2206694.3720 4111039.2440 2498433.9280 5054266.8500 251177.5356 2553041.0770 5602206.4330 3714678.5000 3177464.4410 4883616.4080 4836238.9960 5637238.3720 3577412.7730 3034330.2070 2445509.1100 2796025.3620 3647269.4990 3510846.3980 12151367.0000 4346245.7940 6639824.2430 7800385.2640 12452666.6900 2210824.1980 1687647.5910 1031040.3260 3594410.3050 3461013.5410 2344175.7290 3963289.3570 4991849.6420 3271699.4950 4242461.7830 2660160.9860 2095514.5350 1357032.7950 3333169.5290 641409.9095 3571552.7640 1954229.3940 3349364.3090 1939499.9390 5174304.2610 6451951.6820 848324.2336 5898451.6530 2345658.8030 2487194.5180 4328310.6430 3165905.7220 5091799.4690 3391644.7770 1624966.9420 3502341.3160 DL-3_4-Dihydroxymandelic acid 4321942.8190 1288066.5550 109671.6259 1829450.8800 76470.6213 3666992.9010 145039.7907 1788484.1950 1916358.0980 65536.5948 558880.0488 244718.4163 878376.6537 2781879.7180 45907.2343 182185.9060 2078701.4530 1032105.9690 28020.0143 1558543.3380 2114577.5310 2102742.6230 393308.9161 2386.0859 45858.6341 2661582.3140 3272677.6270 21738.8779 102022.3743 1570907.2930 1977725.8480 1121997.4200 438440.7193 2622097.3280 1331695.2350 101132.8905 35830.1177 13625.0879 826851.5498 304406.6340 821855.5277 596668.9381 41216.6307 1054651.0600 94724.5319 349473.4520 2012951.4110 1525496.2630 13034.3112 1532406.4030 38347.4220 67700.0878 54415.9962 82489.0984 1323531.5930 814907.0617 1800772.9230 1714133.7980 14658.2550 1223184.5570 99903.6631 1082002.0030 1216821.5160 800476.8197 1115258.5530 171485.3594 711786.0735 1182927.6610 20040.1657 521193.1787 155100.1656 70761.7938 164851.1956 1217659.9540 1016749.2510 543052.7348 744153.8763 834886.4289 873101.5287 118563.1644 1093325.9660 764745.8211 39899.3076 1579371.3400 38923.7259 525220.5469 147495.5378 69752.7665 84192.6815 1598604.7630 987535.7976 111324.2816 39197.6729 282173.9238 65239.6129 130200.8851 69510.9331 82638.0641 795418.1345 1346385.9030 3029605.7310 1380330.3180 1878844.9260 1186899.8100 460628.5468 82032.8697 111419.6791 1277071.5520 1037326.2870 1009900.5500 43582.0226 1196372.0020 DL-3_4-Dihydroxyphenyl glycol 48368.5939 18406.3678 14113.9399 29813.2714 162269.5684 29076.2658 8154.9785 23460.1680 17947.2561 34835.3086 16912.7743 33395.0487 12930.8219 44729.0808 16882.3844 12380.7510 24516.9763 19528.8926 23152.5275 113697.5415 17415.1057 43116.5387 16174.8341 37998.5261 26290.6840 51675.9773 18248.4809 26527.4041 22084.1683 26811.4215 100937.3752 22711.3518 54652.1625 38562.0595 13319.1646 17640.2385 91038.3591 97607.6375 3206.7939 90071.6502 34443.0569 58800.3261 34705.1270 32205.3073 16398.1367 83959.2143 17019.5617 136717.6523 52399.9747 79029.1528 163817.8382 128602.0176 25642.9937 8868.0372 23155.8872 29956.8263 15923.9483 37257.0598 13359.9684 673050.2856 36305.1104 90301.1319 31124.9442 36050.6130 17223.0765 18753.9284 8681.0528 45029.0873 55021.4121 87121.0940 12903.4286 175311.3957 31443.8362 31720.9980 12674.0645 98192.2156 55974.0295 48839.9831 26336.5535 12802.4003 37194.3773 3618.1983 35581.2604 24123.3380 48573.0566 22765.2815 21573.2862 25341.1851 13926.5373 42526.2362 147713.3386 37721.0560 33033.0752 21022.7443 28333.7017 79456.0973 55774.0814 11236.4100 44571.1262 8676.2064 61443.9112 245034.1686 90738.8660 39954.8756 37215.7103 16190.0462 D-(+)-Malic acid 2875465.4790 651552.5307 1639543.9950 4128278.0970 10884800.9000 895807.9864 1617441.6480 325547.0525 2400977.5210 520926.7457 1689377.1560 10642760.0600 828020.1477 2270993.7370 3275284.3920 1747771.2560 2157493.2720 169698.5322 6756821.5290 3831754.1170 896598.0961 828150.6433 814401.2946 39075.5424 882301.2551 298169.4324 352760.6055 25693.7039 544518.3004 257543.1217 181194.5825 247340.3051 1800248.9070 165284.6771 1879907.0810 6274744.8000 835146.0590 42638.0060 84346.1474 1292523.7090 564456.3240 524569.4578 33813.5829 301133.2110 645215.2355 498330.4070 715060.6593 77016.9887 132226.4099 273345.9251 167874.7625 770385.0487 888845.6967 468522.4800 530602.7728 52815.0903 2951693.2030 1175581.7800 572323.9385 44717.1369 1846910.1120 614014.7526 807106.4997 153263.0505 2098328.2400 1155202.2310 5023906.5700 1416887.4810 1634853.0440 88413.8317 2484951.7170 1268042.2680 1832888.5770 337201.5032 363920.2152 481933.8279 758571.5445 1080064.0540 576294.1597 6028196.7150 856322.9843 551654.7435 10335064.6400 88737.9909 252369.4642 129079.9670 809509.0002 3252204.2560 976889.8695 112131.8886 550840.6814 2389327.5500 3866705.7450 34121.3674 1289740.1500 1437547.0710 2006165.3930 263760.3386 40459.4598 2608140.1610 4060159.0140 117457.6341 109847.4865 1073320.5980 424354.1707 1509374.5000 1285083.2220 692873.4576 263748.6379 414853.1738 470131.1175 1738267.4550 D-Mannitol 25202161.0000 9428253.8410 3934616.2060 9475525.4870 11418344.5100 595017.0603 9846569.1140 44516536.3800 11664669.4800 21012829.7600 35157219.6200 6760007.9440 247912.5919 585741.9669 32669257.4100 5901979.3410 23898616.5500 15451110.7400 4841229.7180 19584505.6700 2463694.9430 4763555.8040 726882.6834 206397.1122 1082805.0910 10239313.0400 565431.3149 142765.6363 13545432.2600 43741651.8800 28355787.0800 30487734.3100 10192927.6800 11559494.8200 7818404.4800 23955163.5100 1619164.3190 231827.6512 11771849.6500 5447210.1670 901408.1210 6579413.8180 88596.3713 2082233.9370 430281.3098 1056641.6910 5418128.3710 9575888.1180 312322.4803 3446014.9760 328828.1663 7781676.0640 1008751.0800 460272.9041 1506966.7600 11509586.4800 9392397.5470 606109.3403 1058715.9790 15793619.2100 15717972.8200 141113.6775 3597393.3360 7395535.7800 15844001.7600 16224213.7500 22324967.9600 12626425.0800 4041624.4580 19735271.5800 21694458.7300 12243286.8800 10974075.6900 10338969.0700 2489941.8940 146472.3305 21318847.7300 13211471.7700 13373933.4900 5183090.9640 10875212.8100 6660302.3120 11595163.5200 90220.0391 8051769.3300 21677608.1200 3330346.6100 18621681.1600 13987964.0200 9558208.6210 6954167.5890 5817114.5700 8668526.0290 4710313.8490 10532109.3400 4731767.6830 13874582.2900 7557702.7060 6723362.6310 5079734.2770 37146914.4800 4777461.8850 213630.9824 17278759.7400 338752.6671 331816.7355 7339955.5300 5116991.0660 10480072.7900 565590.3416 5974402.8130 14794945.6000 D-(+)-Mannose 79986.0308 73667.4789 56906.8332 98778.9295 76957.1047 108232.4545 61280.1664 260102.6327 69265.5503 33116.4454 256310.4344 68156.5148 195747.5181 50860.5722 80183.1983 106409.1768 62540.7370 80086.6920 1021504.6240 61999.8541 67842.0211 67350.2061 51599.6044 24505.0904 35695.4112 38607.5478 44430.6625 23380.1774 29474.8687 72457.6506 99114.6127 58805.1873 40229.1137 36636.9568 58442.5392 135683.2393 85959.8915 37678.8364 29546.2911 103735.9868 58452.6817 88077.0709 23995.4309 80028.3546 118122.5487 39279.2865 335918.5702 84265.8736 60290.9506 70175.9507 31021.9036 29773.9742 50517.0066 73727.1129 44027.9841 86332.6844 145402.6225 89504.5522 85726.4682 96516.9310 48639.3791 66566.2087 26012.4571 71638.5382 96720.2983 124894.6819 178426.0038 15022.4358 48120.3376 101195.0575 91516.9765 72196.1947 33452.3193 93179.5883 50818.1993 61696.0681 44687.8980 58754.0499 252226.3645 1168876.8590 22611.4906 53351.0802 45972.7510 23092.3013 63983.8073 65487.9011 99811.6017 153309.2064 112274.9893 89436.6190 37261.5007 33884.8274 43757.2593 34691.5296 65906.5908 98962.3820 203207.5353 84639.1171 71444.5836 35090.2164 147627.1781 21563.1879 12221.9399 106070.7076 31423.7361 104681.5330 52910.8468 4776.0084 52345.9512 78609.4448 36457.7086 34465.5723 D-Mannose 6-phosphate 82352.9279 403835.2346 88933.9196 88575.1065 75823.7865 109087.3051 36551.9403 242801.6641 300806.3573 449483.2086 205368.5381 242735.9417 93315.9230 14274.8648 16021.5725 687723.1375 142101.1514 49921.2403 38109.9918 11925.3383 32656.7198 188416.5348 10678.4537 9104.3665 45345.9106 420359.6347 211824.1574 74928.2910 82481.2852 68272.9717 41161.3466 110371.7199 21210.8582 285591.1526 70390.8242 29597.5478 18206.1571 48840.8658 20743.4531 142704.5654 78454.3151 8513.4252 217813.7302 29221.8412 43993.8549 73359.3939 37633.7513 77866.1954 28485.1410 70564.0101 160662.0064 16083.3123 91103.1780 40002.6142 20184.6997 297075.6172 73486.0773 128454.8202 81793.9285 153072.6252 29333.1994 87497.3089 35669.2023 106787.0635 35303.4576 47878.8687 15232.5763 42871.7478 12294.6948 49597.1727 55309.3376 94179.9526 670902.1464 111128.9114 12467.4667 18767.8407 24324.8376 32945.7972 153484.3770 14527.9284 1107856.4840 248773.7342 76957.5127 123042.6832 50405.5422 13646.1710 244977.9080 12542.6081 24847.9493 53488.6272 83985.8056 16599.5754 65586.2768 210268.6674 98620.5332 19479.1300 73078.9656 31590.9463 55225.5273 450320.2566 52894.8652 15534.2262 39034.7724 Dopamine 35788.2764 5349.8147 14962.6425 12907.6131 21018.7396 4500.8405 2426.4602 18723.4859 7412.7994 9839.6706 18300.9626 9057.4886 9677.3923 11952.3389 6612.5400 7333.6046 7997.3300 56922.6936 3740.8754 8852.0076 6782.5148 11301.2061 10896.8568 7194.0091 63349.8391 6524.1939 11304.6799 12356.8299 6321.5189 4238.6033 6794.3061 7440.9376 7206.4474 6599.1044 5259.8336 5423.9847 4398.2995 3887.3850 4437.5220 7402.3409 9970.6609 (-)-Epinephrine 1752.7005 70674.1701 890.7379 1780.9632 8630.6829 3842.5927 4543.3320 1169.1101 5388.0581 2678.9424 4711.5287 7484.0033 2258.4998 514.7421 1460.8062 2768.1127 843.9776 12013.7468 1622.4377 2657.9953 1769.8902 3800.5259 1572.8865 4766.0171 123.6843 937.1875 1196.2666 744.1960 1129.1268 1883.6368 924.3460 3456.6630 2291.9652 482.0070 1670.6979 2379.2194 997.9834 374.2574 595.9327 2445.1666 360.8865 1820.8095 998.6351 1229.7758 232.5471 2292.3732 332.3864 1485.1187 825.3329 1053.1005 1655.0711 3896.7341 5888.9250 1255.8205 2624.6412 1922.3222 258.7746 587.4040 9998.6228 1080.6595 341.0686 783.5622 830.4992 904.2484 3071.9070 3483.4370 228.3675 339.6739 6569.0513 3294.1584 5046.6793 472.7501 2084.5633 612.7307 979.6095 1979.7484 320.1586 609.3159 756.4933 618.1661 2011.1479 1018.8084 1148.5245 3589.8175 1294.8062 4635.6066 1113.5887 5555.0621 1644.3852 379.5743 2364.5819 1546.5990 767.3427 449.6523 18256.9820 1350.1443 573.6940 1053.9136 936.3701 2071.4490 68.3218 536.2143 4475.3598 1000.1359 3830.7233 724.2332 789.1342 356.1982 672.2547 13436.8181 11230.9127 Folic acid 3307.6215 14212.5140 3845.0821 14562.1593 10675.5735 7364.8194 121611.2245 4186.0370 2919.0756 23966.3104 2670.6509 Gluconic acid 21493369.4300 2957674.7860 16265320.4700 10204775.2300 24847910.7200 14728673.2200 27289497.4800 19182658.3600 32347968.1300 38521574.9300 18823261.2100 26241774.6400 14987270.1500 12842511.9400 18164675.9800 19155172.1000 11475890.1500 12486747.9900 21040417.0100 22832637.5100 14924763.0700 17837315.7300 16164732.5700 1845782.3190 4497171.9660 26701545.6300 6540311.8640 3209738.5150 27682779.4700 30231349.6300 29053650.8000 24819822.5600 36370006.8400 33040248.4800 22796412.0100 23173099.8100 23076267.9000 5055211.4040 16481097.5700 21557417.9000 19374875.2600 14733349.8800 1676436.2010 13066476.5000 12799037.0900 8752165.7920 15168711.3600 18656765.3000 7211726.4380 15823633.3800 8718769.2190 40271851.2700 19300098.1500 9170338.4950 11713762.7700 22193280.0300 18343653.5300 26701549.6100 14143722.6800 21469217.1500 33959893.3200 23017611.7200 3038816.3990 23127116.2000 38079324.7100 28692543.3000 36716648.2600 17345167.4300 13960652.8300 19713749.7600 26948115.6000 17932236.8500 26530595.3600 8244503.5070 3854541.4410 5117628.8320 19172070.6700 18100205.1700 23683241.4100 7804850.7080 27328811.5100 6403333.9490 21962984.9100 3754396.1240 16783623.8300 22550319.3100 18511926.9400 35240122.1200 36932189.1100 17230939.5400 14505561.2000 17437819.8100 35566547.5500 5368501.6000 36101391.6000 20281527.4900 30087699.1500 26090945.9600 10906882.3200 6566858.4720 25210566.5200 16804113.2800 4052488.8460 31865439.0300 8675823.7040 20475227.8500 21396526.3500 15669767.1000 28645958.4100 19402441.2300 26570608.5900 19750592.4400 Glutamine 117320.2183 57163.9488 56207.1871 777132.7013 36542.3124 30651.6100 193207.0863 16070.8614 20331.1904 63617.8671 339965.0659 165945.1333 161305.4765 2073884.3090 6413.6092 417076.7709 3506092.5700 105265.5104 164793.3349 499296.5881 268335.6413 26888.2419 101019.9256 553708.7119 138374.8978 51286.6390 3093493.8260 694086.2037 628705.0221 377413.6282 29395.3857 195708.8465 583069.2128 460265.0735 149474.5190 114054.7479 238544.6036 2342046.7920 302837.0720 182154.4217 1515005.9780 1069672.1790 430290.4755 642304.1294 1784639.7280 4276431.0660 904250.6087 107182.0405 1516464.6710 73139.9486 31814.4382 747542.1833 67167.8093 147234.1256 54024.8590 327996.4121 135859.7540 2189469.6560 239305.1159 166360.4845 665638.2317 1471171.9820 62726.4764 214443.0378 195823.0465 137603.1813 225604.2648 533241.7090 198196.6674 25792.2034 6013.6591 136329.5697 230714.4277 655786.4347 1100686.1770 859502.0897 244994.8749 102652.2111 178952.5353 151039.1919 138976.9302 774246.4071 196471.1898 530238.8170 142298.8703 58260.6983 2227442.4920 120589.7114 120891.6109 223926.9473 3014056.4050 197885.1472 602612.2488 1654569.7930 57548.2975 7205.0434 42064.2645 45087.9478 67463.9003 218526.1940 3845947.7650 366981.0701 27640.1860 427574.2829 41205.7694 105732.5806 210394.5326 1849464.1870 305618.1036 114764.4431 2503498.4410 158688.5114 Glutathione 3206.2278 1574.9973 3983.6812 2448.9244 5317.2567 9222.1453 6327.1495 2979.7797 7681.1804 3272.3456 36778.8350 1905.3880 6467.3106 3501.3460 2853.6571 1825.2952 6359.5942 10895.9962 1977.4706 8028.5289 12959.0771 5946.9198 8322.5852 888.4489 1183.1276 1356.4142 1651.1152 357.5138 3687.5217 888.2933 4681.9845 2540.5938 9508.9589 16654.0524 14944.1134 9557.1825 6723.8604 1435.3399 15008.4337 1998.9031 2724.0576 2037.3769 1310.0630 1932.8825 3016.5535 2708.4028 1399.3074 13678.8450 137.1415 1497.0871 4202.9581 2837.0563 12846.1819 6371.9805 8343.4145 12197.1793 5060.2204 16030.7055 7689.0703 8266.2748 829.2409 9911.9465 832.3790 2002.0451 8247.3319 3546.1732 5665.6997 10173.9187 12250.6935 7471.3200 8009.2018 865.1960 587.5161 11526.4212 4460.1935 1448.5442 4265.9035 7647.0253 7545.3799 2159.0893 622.7638 4592.6432 5776.4094 1155.6740 4604.1098 3857.6457 19694.0665 1245.2424 3379.4600 1984.0793 15300.9667 2692.2292 1490.4811 918.9646 3924.7583 5553.1897 10248.5221 3937.0188 8470.9688 6972.2997 17338.0610 2862.9518 3143.1124 9362.5923 2845.9333 3047.3651 2067.8892 6936.9747 4296.4797 9154.0789 1949.2575 491.2640 Glyceric acid 489712.5186 128539.8098 206971.4896 1148675.2710 46390.1255 418308.8093 1163231.3760 42108.7287 106810.6514 167174.0353 368673.2268 978663.8870 547031.9622 1166290.2230 254599.6529 1152354.7430 2344076.0770 430297.9965 673124.0441 329202.6008 635470.0417 1478328.3760 573650.5279 1235741.9810 655726.8562 286813.5003 317223.1539 529248.0711 44937.0407 132305.0688 466864.4362 26128.5072 229809.0416 116698.3846 576738.2374 315565.5474 910571.9423 1059051.9870 1377680.8190 813730.3735 3071944.8640 199648.5775 265911.3465 147235.8800 802226.5409 887429.6689 592887.6491 297953.5489 2598078.2240 224054.1440 812800.6520 95346.5944 1013071.7710 468985.2002 544266.8403 468030.2272 1944812.7460 886877.2285 3065673.0030 203724.4292 926482.3269 1211224.9350 1114844.6950 396457.9462 937902.9399 591888.4621 707817.0221 1498958.9700 716200.3997 110604.0461 581555.5802 382644.1970 639770.2201 745950.3744 1596920.3720 1946343.9910 1036698.3300 170442.0508 766693.3070 1949580.1770 37163.9308 1441613.9540 514245.2045 285546.9292 212346.6865 78921.6090 737851.3951 64371.1055 302785.4748 549997.7097 240306.7018 156944.3036 304551.5245 344513.6103 955911.6676 461363.6198 864627.3420 1052611.5820 192016.4901 615151.7115 715080.3262 1938472.1420 198194.4290 1281277.1080 511236.3170 532656.5607 735116.9162 849035.0486 223761.1134 703742.6634 2324255.2400 142197.0113 Glycocholic Acid 10809.1626 18561.1092 49947.2842 81112.4422 12409.4015 180915.0730 89833.5132 11619.8217 15003.0660 15573.6728 191836.1958 49437.2448 17967.7379 195717.1703 39932.9465 50119.7678 13771.7674 95160.0067 35144.7783 16922.0813 14865.8783 136040.9210 153037.2954 141119.6429 84998.8751 7325.5464 27181.8339 27783.3143 19885.1777 36121.2116 19628.4416 11026.5864 21647.9507 41192.1831 38457.9402 46790.5194 54696.7677 30007.0225 14481.9241 89712.4878 346117.6183 8757.1954 109538.4657 15392.1118 29429.9176 336129.3835 61675.9321 6978.5248 42325.0821 14088.8292 78120.4230 51542.9040 57321.5908 46585.8742 26411.4429 8889.6129 28490.1598 25618.3104 127492.7259 37722.4814 188070.7374 31660.1528 27076.3177 86360.9983 37308.4129 128916.1695 82923.1421 21414.8621 33262.0278 10918.7523 32771.6489 43082.7079 90669.0132 42566.9081 54447.8752 45934.6735 27482.0245 125176.6066 16287.9545 99052.7476 8362.3402 101558.4404 123515.5262 18918.1405 54314.8148 14953.1370 56698.3694 19403.7885 67999.0734 13699.3911 26517.8480 36932.5888 51519.0427 32177.0014 422687.5961 21318.9405 189308.5902 18174.0169 19626.5155 23089.0327 13816.3883 14392.3492 4152.4096 32592.7635 82123.8918 29142.6221 49230.5058 65567.4430 7802.7314 105713.6381 15781.3637 203332.3502 Guanidinosuccinic Acid 21937.8395 78146.3978 60331.6314 43329.6744 24947.3323 102245.0169 12571.8317 105145.8990 121360.7640 22197.3865 62774.2872 39098.9034 56378.7109 50986.7294 19720.9417 138203.0344 19425.5650 67061.3951 235215.7339 80079.2149 63495.3782 83093.3377 698264.4406 9449.4300 202179.8262 18612.3673 33481.6683 3826.8277 18272.1127 48951.8280 163658.5756 48450.6467 61618.1839 19934.5381 64790.7523 35496.1127 93365.7479 60209.3670 990.6383 140787.0191 78359.9876 231488.9918 11513.4970 153025.3358 160856.5912 20610.1951 31963.9048 140749.8317 15669.3120 45601.9848 109001.6002 7934.9035 331660.7366 60304.7569 160470.8149 80307.7538 39007.0596 60099.2383 498792.7847 24232.6193 17775.4280 16856.0944 109465.5782 13858.8844 31761.2172 32371.0346 61663.0406 1470.1558 23244.8308 75116.8621 15314.5539 85607.4727 17825.1465 28265.5378 18783.4647 15205.4409 13271.3786 155963.3991 118365.7400 11772.3762 5063.9751 44115.4391 36472.2090 8483.6549 62498.2567 16355.8012 111491.9858 12243.9374 99281.2452 47256.4897 7629.2002 6449.1973 23078.2095 14267.5854 199307.7548 100533.2024 56475.6054 121171.6851 118757.2309 4785.7522 39449.7494 13952.9001 137990.3308 11350.0293 17812.7877 68238.8690 44057.3046 2822.8122 27990.8188 48932.6798 30309.0895 25454.8403 Guanosine 6697.8103 2232.2513 28814.4055 17883.3746 8871.8953 9186.7917 8000.2773 20813.7570 33365.8445 23137.5308 3855.4164 11193.7313 6769.6391 22814.4189 13784.2981 18215.6313 35196.5073 18520.0603 63802.3942 15844.5951 10826.7190 2844.8363 21021.2719 12885.7203 17438.7601 7729.0432 13838.1472 8914.0536 3854.9664 3154.0105 21456.8975 12283.5866 5355.9282 4904.4173 12950.2506 24026.9827 1198.8180 12343.0124 2990.9215 19622.7220 21167.6941 14516.9147 7459.4917 6846.9653 13499.7911 11265.4101 17673.5076 24604.2280 6407.2804 13085.3689 20045.0918 3108.4353 9321.4777 14593.4201 15131.4086 14100.1931 9372.9265 16334.3887 40784.5709 10490.5406 4708.9580 16312.1232 14881.5258 12197.9287 3400.0348 6067.3604 12110.2216 1724.5031 6310.0992 8829.1637 9629.2908 6411.5416 3094.4099 27024.5507 25877.9042 13480.4937 2670.9907 28202.2624 23211.7057 6958.9064 8793.5235 13491.7812 9150.2502 9889.2112 17083.6486 8128.8838 40914.3812 15812.8695 686.7212 30906.1999 40353.9765 3480.0337 5182.3543 12233.4304 46795.2740 22721.7240 20073.5432 12314.5826 8014.9811 28809.9748 28300.1262 14339.0172 78.4412 1782.4330 5667.4724 12165.8388 7554.7936 96.8569 6385.5521 13616.0513 36758.2351 4238.5765 Gulonolactone 332490.9900 37696.3659 302556.4946 347425.3224 2958476.9840 147765.1998 150045.4955 152623.5430 1066813.5770 401725.0194 304725.6015 418861.3902 96301.1521 50140.6496 585873.0453 220442.8140 44323.0238 58718.2639 278112.8454 153377.2656 65284.7548 227389.0422 330413.1329 24633.9909 188075.2737 185484.7831 44012.6179 50564.6024 1080916.9880 384425.1681 100909.8699 307221.3373 283515.7736 183000.2412 270452.2006 685171.5279 108223.0475 31421.0515 107066.0919 762360.8573 107220.9263 69839.4299 109941.8400 42364.0193 201768.8010 265659.3915 152593.4936 65095.8446 78241.2806 189655.7169 180721.0730 1620466.6470 195697.0761 191951.0086 138403.2663 73450.7195 278298.8127 157905.8132 131750.5867 68812.1771 776777.3671 243890.7014 461171.3641 104509.9559 172802.1604 284849.9694 789799.6361 95350.7423 278550.2999 78964.1833 260599.8510 411000.1979 528844.1446 51275.8202 1256066.8580 50891.8424 184837.2982 287924.5385 85900.7196 284976.1868 183025.2019 53425.6293 296809.1525 40541.9861 341367.5554 131650.8146 345983.7861 3933665.1390 587848.4031 57364.1802 63898.7335 977960.4877 1022755.1270 23288.3329 111585.4068 257696.3046 623531.4860 99655.9277 37771.9497 38801.3633 302837.6755 47625.5910 20507.5353 461858.5328 36649.9031 233253.5108 314876.9725 90133.9516 207287.2908 122140.7207 85968.8419 219328.3719 Homocystine 15598.4339 21168.7896 3201.3913 36474.2487 18194.9516 15732.7054 4445.6384 6009.8329 39870.1805 41705.5252 8120.9100 12582.2529 17312.7715 49224.2842 16902.5806 3714.3212 13796.6078 6973.5837 27878.0634 17286.4998 11618.2498 11222.9644 5644.2191 1682.2589 7888.1821 89538.5674 5149.2530 2632.6934 5671.2010 22742.3488 16303.8426 10895.7318 22451.6417 13064.8620 15326.8722 29172.4782 10981.3388 7295.6300 11267.3199 10410.0873 7004.1715 9066.8189 4765.7650 4908.3398 9552.1114 9625.9268 14026.9992 17301.8425 5322.9823 31018.5668 15889.1161 20653.4363 11175.0609 13451.7709 11280.6296 10403.2918 9570.5691 19306.4817 3373.2460 32350.9907 14324.7511 43155.3230 7722.5210 17963.2705 869.7910 7522.8621 8132.4182 9324.0698 3161.5139 16310.0305 5839.4647 15542.0972 7265.1214 26113.4669 5717.4614 4095.9920 3818.9321 16370.6912 26096.5075 5773.9318 44864.7513 4084.3611 8751.0746 3580.3892 5721.6016 43577.9748 7828.3527 29794.7308 12373.1385 10212.2897 35240.8899 15844.8970 55994.9261 2820.2087 9457.2604 3008.3605 4088.4346 4142.6311 16356.2444 10205.3465 26479.7707 27168.4557 5807.0048 25672.0551 4165.7879 15203.4168 2769.8468 16161.8632 14332.1417 38204.9117 4169.7250 2882.5178 Homogentisic acid 23135.9084 7203.5203 16467.8381 14422.1402 14884.4729 43699.0687 64205.2700 8061.8096 55571.6174 243883.4655 217920.5776 69007.8721 211725.1997 7272.1885 449478.0559 118073.7201 37385.1606 12385.8174 112473.3023 43650.1222 81694.2537 223774.8625 41721.1039 9003.5073 297626.6422 9304.5197 42798.8028 42874.5772 62746.9111 11941.4410 21329.5141 43659.1253 65449.3895 71369.1341 203675.5957 19069.1214 85951.3128 23488.1836 12644.7460 30231.6592 441268.6126 42075.2531 71440.9933 84277.0035 66483.1882 86388.3997 58598.0236 16124.3902 343148.5133 68689.6778 59512.0059 77688.7795 30823.9747 124082.4128 29684.7218 61941.0875 21125.5203 43770.4079 69999.7036 25936.1607 38213.9377 70200.8748 110528.5720 28860.3848 39390.7252 268426.2280 83934.3656 18613.8526 19258.3499 30357.5940 226114.7986 271408.3205 79702.3781 7999.4297 53218.8375 129198.6730 8365.5452 552439.3093 52854.9725 195668.2905 21600.9003 38243.5317 106567.1781 31010.9598 25776.7076 141368.8016 271660.6314 17815.6109 125660.0658 431456.6873 28289.4261 60154.9829 53735.1470 16105.8378 68228.3056 400531.8650 187652.3801 104013.4898 8267.5730 11089.3563 46282.5372 51139.0323 172167.9247 65018.3184 67798.6685 85468.7056 193560.1928 48677.1551 58049.0265 58833.7413 13513.8999 176116.8363 Hydroxylysine 12207.3202 83504.3540 78.3652 194951.9549 1164.5209 9968.6225 14281.3929 1345.6551 6180.2126 23507.0617 37967.5720 48097.3045 12998.0185 182887.9098 39516.3443 51987.9727 6215.4315 67142.3595 112031.7491 19685.8442 16251.3630 10671.2027 3790.7415 23373.2587 60667.3839 7165.5815 835.8916 27250.6177 10390.8528 6095.5818 36373.4588 25963.8687 4224.2165 4290.4160 13669.8448 28362.3609 13923.2805 2279.5166 17566.9694 7018.0466 3054.5338 8544.6703 5337.2686 23973.3597 33064.9532 14247.0747 10525.4622 42926.1287 13290.9873 7636.7286 1373.6635 14223.9317 7194.8113 4159.6510 18313.6097 74061.0816 1117.7913 47824.3789 21740.7762 51801.0128 10637.6134 28979.9166 183.1174 2259.3113 4415.6246 18878.4785 20681.0212 9685.7781 17960.9115 1869.6672 5417.3958 238351.6155 40776.4286 12837.4935 2034.3189 86406.0052 110702.7332 22419.8934 74607.2043 19463.9428 21481.7119 8117.4876 954.2530 26789.6741 1367.1504 10346.2297 700.6567 8165.2335 50110.6291 18476.1865 145334.9279 26019.9003 4928.2127 6425.2799 5287.5322 5444.2359 3214.3821 65314.7853 63471.4495 132088.6228 7017.2087 180311.6565 6647.8185 4228.4111 345.8922 120977.4523 15988.4167 29001.4218 37996.7018 656.2598 Indoxylsulfuric acid 58364776.7300 73134093.3100 93468501.2600 74791638.9700 83331731.8800 68287805.8600 8973072.4520 26392941.9900 32660677.5200 277202452.6000 122498891.1000 98958241.0100 65476569.4400 42511642.2100 135122800.3000 79944318.8000 35206234.8000 75115563.7800 53026801.8500 43658845.3700 1969786.4250 77391907.4400 17748101.3300 5005252.9380 72615955.4700 75361301.0000 14003588.9100 204252.7008 72948662.6300 31881136.4700 37749249.9300 49613016.2900 51293723.0500 34810047.0100 100822678.8000 84918884.9600 32124772.8500 8412565.6320 58217056.5000 29779786.9500 55106227.2400 8478865.8070 39024631.8200 15013373.2300 37865370.0900 41527774.5000 44819288.0300 32930035.0000 19015583.9800 50187740.1500 50982297.1600 64415989.3800 55431698.2600 15721746.9500 30980839.0200 46393501.8500 15398684.7700 29327284.5500 55986798.2300 66294404.3500 76836389.4900 49649437.9500 62123168.9900 52143400.3500 25947742.0500 103952412.4000 103250719.4000 39237051.2300 131380007.3000 32998825.4200 85666836.4900 113380660.8000 98647008.0300 40386403.9700 13849721.3500 47774041.0200 68766343.6300 54926841.4300 10295672.6300 114102996.4000 22257257.4200 18478790.5900 100273213.8000 15547851.7200 125441880.7000 52907903.5700 171802070.0000 96477934.2100 109624079.6000 84490281.8800 43805041.5000 105723809.7000 131189968.9000 2900392.0960 113663316.2000 114446988.0000 154366520.4000 79244350.8100 42637023.6800 26762193.5400 70894411.9800 1989923.7500 16104666.4100 59105992.8800 56666662.6400 59147609.8400 59431101.2300 53512710.8000 20194057.3000 45161503.5700 3542710.2320 88274806.2400 Inosine 150430.5366 17591.8583 121987.3013 271180.3223 181412.3757 32436.3968 81468.2185 140985.5100 58101.8306 353716.9157 261225.1945 35265.2438 83315.3064 74067.4566 166712.4591 104324.3864 64220.2677 201539.9037 117219.8370 321113.5464 40569.3161 29053.9528 46041.8578 135076.0989 47421.4249 14218.0577 62559.3062 98718.0649 25062.4569 77299.3903 141045.9986 57236.4741 37599.9114 96766.7174 16867.2688 55402.2898 101755.2590 29168.0393 38177.3278 9891.1679 14326.8135 22267.8880 12499.2199 73228.2370 73273.2183 11851.1461 134155.8539 15177.1338 35723.0751 16004.5487 13635.2448 51775.2784 107129.5308 17122.7839 60432.0755 83688.8244 55600.6338 60488.1710 72166.2266 231408.2487 89109.3626 31375.2143 33423.7340 88841.7168 95480.6457 111238.5650 40801.7876 78230.4155 66252.3638 76814.5339 56494.9828 33586.0869 50700.8864 83580.6526 77850.2966 172201.5597 231442.4927 107625.9941 21675.6053 102432.4936 94972.9686 69133.9106 134552.4081 24211.2310 189675.6482 330099.9826 100515.1710 90629.5769 8810.3230 229453.9815 50686.8005 110270.3258 18485.2712 30169.7897 56912.4189 96949.2660 102820.9462 40253.4492 17547.1362 19739.5239 22067.9985 41801.6643 223213.6041 71798.3844 52388.1723 142283.2464 65112.6075 Kynurenic acid 202068.8959 155122.7917 121437.9594 67041.7434 643669.4337 83308.3445 78503.1491 988757.8147 506221.9391 293234.6413 111386.8391 55002.9870 91709.0745 63516.6739 89206.4030 269020.4407 75082.1235 75862.9442 165575.8437 81095.6351 172054.0205 118169.4882 113666.7681 32767.2385 141217.4044 94129.2879 49585.9406 28747.8146 149559.0431 115567.0865 78272.3635 280176.8414 336894.9975 191769.1389 139809.5970 132386.9690 99090.7296 30848.6901 88880.0514 215441.0714 44615.9681 44709.8800 72365.7493 59217.9012 90193.2899 58529.8109 90818.0738 110646.9163 33634.9776 197896.6729 99281.6268 103565.4024 74480.1030 39940.3090 79961.4312 120799.3973 48162.7867 46116.6791 133236.2330 69812.7984 103133.7464 107832.4351 71065.6166 74019.3953 87609.9144 96339.4479 80940.5632 66737.1631 81683.7834 57018.0228 64217.3407 107355.3305 87032.7998 55588.2274 88045.0651 19544.5130 78352.0953 66363.8297 61433.3275 93813.7658 160146.1753 26160.7790 34777.5804 50757.4288 174527.2750 197058.9059 163061.4419 203522.9974 128324.3397 196951.7769 90607.6074 193374.4205 86547.2863 20137.2020 157108.7509 180914.3182 105225.1766 56437.2793 177190.0120 45100.5205 68425.2508 66551.2943 67146.3779 65883.0783 47162.2062 68504.9110 51057.5559 66763.8023 209042.7046 42940.7636 49358.3933 198814.1199 L-2-Aminoadipic acid 60997.6414 10819.1522 4443.5207 41954.2133 10711.5439 1473.8908 22042.5738 1460.9174 3810.2519 16414.0137 19040.0436 74924.1238 22571.7315 45150.1782 55113.9094 11834.8599 4821.9284 17981.8431 327856.5846 68912.7858 10610.8645 2309.9985 4597.5208 3297.3385 6879.8452 19536.6509 3815.8336 1974.5427 22004.3112 25542.8088 5897.3492 10230.4707 44837.2367 13948.9991 12046.5301 2274.2236 3295.6484 5494.5025 18824.9741 11165.1794 4571.0624 4246.5178 2500.1204 4388.9909 5944.4658 6580.0683 34870.0922 2925.2495 2725.5031 20701.1569 3050.3508 88881.1337 5231.4786 6598.8194 4704.6399 9061.5531 17312.9100 21207.4474 5889.6514 7060.0602 111381.0353 7426.6233 6049.3121 19236.2338 50124.8131 24473.1826 17890.6614 12425.8849 41063.7938 5735.4594 18109.9159 33172.2630 37763.7847 9441.1255 2772.5528 3407.8185 11159.7124 5480.7127 9633.0363 72036.7307 37956.6001 5151.1103 26201.3821 1927.0636 15042.2514 14603.3448 5446.7208 98423.4685 22099.7288 34629.4276 32975.2462 455969.6102 587310.6761 4498.0420 2814.3260 4432.8303 10150.8413 6383.3972 5146.0606 4804.4624 13049.2365 44580.9960 2258.2498 49361.9300 7596.0398 7420.4188 4979.9158 12856.9253 197465.3846 4810.1870 4496.5054 11112.3195 Lactose 24246.1823 145756.1595 110814.7341 1550343.8520 304260.9562 151071.5258 90612.6689 203770.4508 107260.8996 53453.8125 158457.3116 82358.7208 510400.8956 236448.5272 331307.8701 259019.0585 70313.1047 587254.8483 172225.6712 298732.5481 181188.3875 1400904.7570 269964.0774 86272.8810 201602.5339 309026.3360 116015.9901 59927.3069 68795.7891 129293.5361 119946.8317 50680.3851 4075817.7190 215499.0020 284504.0034 980976.4377 554897.4256 185632.2465 170647.8194 47191.8585 251899.2854 291062.8047 555074.5575 407923.5242 231629.8414 223086.9448 322189.3301 417397.2477 91278.5189 1112082.0090 174730.0461 81042.4262 164986.8479 158714.2076 150629.8606 479454.8480 217500.7725 256161.9775 209018.3847 330625.9090 83660.5076 408081.9615 263754.9476 156584.9666 135206.8118 176183.4602 79169.7202 307659.5215 117157.7900 636940.0700 522884.1838 47745.5456 914524.9580 538729.6975 105660.7138 138397.3971 162046.9341 1519570.9910 974515.8457 128166.3757 63252.8085 596115.6577 203705.5134 249659.1011 17337.3217 271236.9748 741037.2609 655969.0238 630678.0765 67504.2120 289045.6485 92599.0802 590732.9894 137453.2256 1023357.6340 227297.2072 209667.3777 1196203.0710 263191.4158 387380.0229 565696.0307 201709.4278 195233.3099 523644.7948 218801.4877 156469.4665 133144.8575 275205.1185 126008.5072 712435.8458 118776.4268 84236.8049 L-Asparagine 57490.5479 9891.6761 41329.4004 304012.8339 2108.1489 24969.9358 160675.1347 13635.9728 15166.8016 47597.1133 121593.1039 22079.2013 167688.1624 287251.1214 20021.6807 228640.5221 96018.4855 152436.6362 127771.1046 229958.9456 140437.1933 7120.2575 50585.5282 86772.9470 115902.1975 22058.7490 70166.0019 13045.2744 10921.1788 151271.8646 20967.3813 68841.5287 136249.0345 170642.2498 78357.6673 48345.8483 10587.4515 51838.3044 110244.7728 70678.9762 55580.6011 14370.0750 20146.9001 21969.2797 77838.9706 203543.2237 313591.9584 56383.5883 70658.0306 109039.9101 11334.9808 152819.9731 32872.8783 76034.2387 31299.6921 97904.5030 84546.5447 109811.8484 78328.7076 85155.8950 129253.0623 281821.1983 34062.9508 36825.0469 184648.4198 66768.6838 146318.6879 56735.2390 340491.6984 36918.2429 21458.5311 84408.7186 103288.8104 248151.7236 135146.6636 111502.9149 130770.0611 45598.5337 61146.1138 276981.4702 128591.5556 81887.1292 70782.0951 12109.6031 65302.4093 14298.2713 171763.0100 7839.7712 2479.0176 180899.1636 287842.9449 9929.8321 118901.9592 53934.0303 27024.0917 16638.5448 142759.8712 31877.2676 31888.0211 60817.6394 139652.4638 135651.1687 39796.1672 227482.7438 17918.5432 37558.0520 84530.4141 27056.3732 48109.1452 70560.5232 66989.4790 108809.2439 L-Aspartic Acid 20358.6668 70026.1822 10983.8982 146126.7725 5252.2531 15615.3823 74297.7235 35348.8340 29363.2026 42263.6947 47624.7658 24295.9298 13771.7857 96978.2632 199325.8210 44034.9424 290157.1055 47501.0424 33395.8292 100743.9971 143003.9434 54767.9747 11501.7323 36499.0116 24626.3344 18073.0649 42121.4457 12773.8673 39630.0884 81820.9253 10911.9761 60811.2703 41143.2276 52500.8020 16255.9282 15985.2619 332095.5813 147605.5972 36772.0643 16657.2501 72519.2874 7211.6384 10537.0572 23202.4094 21399.4344 143061.2349 100172.2919 19177.5035 28922.3587 26110.7654 16220.2075 68330.1941 6465.2114 21188.5472 20340.3733 32395.6079 19454.2339 89608.9908 60642.9053 25059.9943 40208.0297 66970.4535 7045.6988 14694.7578 30106.6140 15196.5948 41107.9080 49739.4484 223052.0405 10741.0088 24382.9088 16215.7912 100107.4317 191312.4242 181193.8682 83552.4714 49881.5354 36478.9128 37091.4558 415943.5972 89339.8553 107954.6947 58418.7280 9324.1839 17520.6010 3114.0078 88826.4041 9784.9822 22756.3833 71738.4705 517629.3166 23057.7049 23034.4451 46447.2632 36587.3467 85060.0172 7682.6444 20980.4923 22173.6518 18774.8266 209697.7049 79698.0083 8414.4925 280377.0408 3978.9327 14807.3275 38082.7080 775300.8759 16120.4158 25120.4434 84616.3975 27934.4319 L-Cystathionine 71207.0525 185630.7854 1978456.0380 28006.9495 21564.4136 266280.7946 27110.6793 43180.7242 47824.3553 172308.2313 42658.0167 2969204.1900 39707.9361 854173.7787 110092.6223 1416434.1050 12766.9918 7918.9739 11096.8761 316949.4071 51711.3606 10602.6023 6517.8268 199879.9889 18123.8482 590899.2950 49524.6742 20433.9903 13951.8368 152204.2146 13378.7505 17332.2805 32996.0355 21118.5889 20974.6120 340266.2533 170789.1569 6000.5014 1332290.1000 28140.1002 41409.7506 19421.1786 31161.7657 40560.5274 15880.3946 194152.0431 10688.4399 207480.3581 12590.3951 42144.3035 34684.4199 32168.6731 130319.6410 33224.3719 230634.1350 24860.3965 17295.3361 2877440.5890 331354.9642 35449.1949 40654.9784 33187.5752 66746.9613 35051.1120 3349787.3940 14013.0552 15783.1686 36333.2752 11299.2994 77500.5885 2137712.9380 9799.2844 55446.3446 29486.5353 26253.3299 7764.8595 28894.4195 11438.6383 43460.2285 84117.6759 501381.3377 123402.1282 103622.8445 100015.2503 28752.8702 3191.7553 15999.8227 63920.5440 138121.5495 79040.5922 20121.7817 39637.3947 L-Cystine 160949.8223 204811.7460 89078.7380 850719.4670 408429.8231 130043.3326 29269.0837 249347.7302 159651.7906 899852.1332 437939.5041 164544.7224 84297.5799 485956.3183 128030.4645 107156.8032 295211.5628 81428.2258 178700.8674 599343.2899 158992.5532 463076.2225 87397.0336 23377.1603 80353.6354 217180.6322 123574.0625 14522.0504 246423.5091 382874.6511 81117.2464 286025.6572 407280.0930 186288.1610 117575.3773 102152.6040 66423.0222 101957.8849 55667.7164 109368.2794 62923.9274 36296.9322 46050.3623 70731.2816 99486.0096 96627.8124 354165.0898 283719.7665 52989.7789 470146.1215 69341.0406 265476.6442 66829.8579 207370.6764 86566.9938 104906.4259 91843.6290 332176.4749 89641.2537 336541.4103 225308.7517 376077.3881 101401.1683 192778.5346 98959.5983 124929.6646 358963.1217 38076.5682 31620.5283 69398.5913 169077.1252 130417.3948 183548.8485 481382.0965 92808.3922 55916.7113 184055.4643 248907.9755 205275.4929 282813.7879 373287.3892 41481.0474 195101.2402 76255.8994 113919.8301 334380.7689 77827.8519 321382.7898 279632.6932 163268.7669 324021.6038 258465.8129 556850.0919 29473.6640 140196.9728 142557.0151 155063.2030 79035.7251 83755.1587 53476.0581 148913.3700 655291.7438 127445.6368 1044762.7920 22194.9925 59418.9550 176585.5166 232403.5645 127737.4118 140344.3726 10362.4915 266035.5707 L-Glutamate 24848.1198 36326.9476 176023.9289 897075.9579 18158.8966 157550.6886 1090441.1260 734771.7811 34767.5860 46458.5288 739981.6859 281056.4739 244233.0059 1081644.9310 3102877.8190 286572.5090 171838.6441 1803541.3470 20218.1222 145282.0198 1737833.3550 247048.6717 123865.3438 133805.6741 149802.7596 387998.0867 161564.4080 63309.2632 476264.2554 33901.4392 158643.5891 252591.9657 393240.8611 697470.8447 195273.1995 148806.5535 829224.6529 315185.7029 320854.8533 162366.8049 171830.8868 223217.8981 30039.1146 111449.4238 145071.1820 297905.2417 409342.7790 116269.5113 61909.3907 44422.1845 175633.8478 230374.6366 105548.5410 150104.5018 645113.7078 1195743.0010 410837.9685 404498.9136 389395.8955 205567.3927 280843.8001 1363107.1410 229718.8934 112656.0048 823326.5038 157796.7481 631314.7961 404749.5119 978482.6577 101590.2104 2387189.4430 111124.7070 591303.3198 1495116.4850 236801.1980 115322.4431 187019.4309 564333.1323 857518.4136 2667646.1560 2283232.5310 523784.8428 440414.8470 32646.9692 181864.2411 13570.5782 444055.2671 14324.0802 15950.3277 237042.3459 3804327.5630 16431.4565 16658.5288 130246.9410 214474.7975 913412.7260 511580.2888 96171.7430 196886.1778 378743.5428 440946.0737 2760259.2160 64597.8610 3077833.5090 49138.5430 143990.0204 86773.8988 641413.6234 32412.1036 1764599.6620 155844.8621 282427.8863 L-Isoleucine 44499.6848 3452.6448 97038.2029 165187.5810 13392.6696 52790.3516 64705.9180 219951.5157 3764.0907 17395.6213 34198.2362 5574.1255 109436.3328 89732.7951 25308.8827 98526.3029 114521.1258 51561.3184 25408.4084 121768.1314 153590.5052 8106.8993 18270.6819 11660.3198 33548.2447 62184.9895 23710.6170 7402.5268 40010.3611 80488.9481 15979.6079 66180.4416 48029.1338 100045.1043 20666.9561 22452.1631 13302.0488 9935.1969 119846.2279 20163.1085 15212.3618 27217.8596 6107.0880 7532.0311 32515.8365 64127.6735 86759.3492 41819.0135 10782.7502 15167.0346 13343.6831 37760.1941 17929.9774 30040.7031 13915.3304 50595.1530 11202.8968 101470.5803 36382.3853 65018.8464 61285.0306 41583.8643 26303.9666 52828.7777 51733.7957 21854.4526 40308.2674 46840.7772 175231.6110 16321.7560 41755.3015 36843.1310 40598.1989 68952.9374 49618.1456 16467.3901 89602.5003 41377.4984 48757.7870 126664.0674 105297.8384 15544.0739 32300.5013 9377.8410 59688.4573 2433.7274 69982.1840 9953.2208 12094.3693 40555.9090 289023.7741 11925.8030 100858.0723 10892.2248 18944.9526 5540.3612 22495.9913 15097.0436 12844.4953 25460.5250 61970.2680 74413.8359 24025.0755 28035.2281 9996.6565 20623.9954 27771.3340 38409.3128 131279.6743 48280.3175 40826.4729 115484.0198 L-Lysine 3176.2185 16657.6675 73.2267 27876.6351 2239.2641 11716.8515 4793.1387 5473.3457 19978.9502 29126.7400 758.1569 7986.9236 5209.7842 29366.8727 9633.8155 165.0324 8194.7121 1636.2326 20876.8139 17410.6868 13883.3301 10468.7457 5630.0149 3046.8152 13029.3213 17337.1382 7247.5583 1422.4480 26272.8519 12893.8881 5650.8483 19069.8721 8982.8257 4892.4194 4314.5437 6272.9349 10635.0123 16780.6381 1266.7116 5896.7586 13763.0630 6136.1675 7444.6544 4133.5233 2255.0914 14919.1436 17569.1172 5229.4595 17412.5625 5700.5076 7242.4237 2050.5253 6252.7449 7415.2144 3579.7260 1733.6719 30007.8577 732.3764 18176.6438 26719.9919 40812.5158 8542.1108 14232.0099 83.5151 279.3314 923.0304 11430.5760 3860.4819 7846.1207 2582.6911 1917.3397 1271.9025 58506.2976 9399.7545 5092.8042 774.4536 15675.0615 19692.4714 10515.0066 15198.4461 13719.3666 5514.5844 9400.5326 485.5717 30484.9450 479.6589 40063.1816 1060.8516 10146.6081 21477.7114 7731.7230 55095.6857 4359.8329 6021.2493 153.5767 318.3380 1796.9470 3585.4973 14257.2013 18606.2863 38909.3886 8021.2363 28864.8266 10916.4778 6831.1551 196.4121 36092.6350 28246.0321 16959.6102 10519.8789 71.0746 L-Methionine sulfoximine 27508.2886 1115055.1320 203668.5909 141732.6559 97256.3633 196200.9168 107253.1941 703422.4937 176241.0951 309956.3229 299992.7025 145074.1598 833707.2643 124244.1377 776802.9863 32226.3001 578358.3502 105538.2800 211369.3152 379439.7574 374176.4711 203628.0396 86768.5837 45910.1741 124723.6377 298034.6813 116506.7298 117810.8830 246238.0577 968445.0913 375194.2695 272972.0492 606353.4072 351805.2193 271580.4583 584564.4712 778524.0853 86163.1252 166565.7624 90522.3020 1160768.5740 71338.0915 141721.2982 321633.3467 665240.9177 919628.6633 279727.3194 1058099.2340 611972.7574 492976.3057 225248.9265 251878.3280 347491.7752 374608.3346 142699.8338 115751.2663 237896.4540 373085.6595 189124.9192 327420.8064 107773.2491 319793.3399 839010.6481 210042.6758 104365.2965 307404.7597 649461.2874 92403.4730 282235.5765 456006.9413 414240.3195 41333.1881 141838.3387 186468.9283 803008.7238 143371.9529 399149.4686 125310.5844 364224.6445 625837.1531 163358.0959 109684.8341 264376.2783 74162.9398 115505.1576 146394.8581 231545.1079 176370.9963 53966.4008 333635.5118 201128.3209 56822.5045 68232.5457 353810.3064 117909.3683 273063.5125 1116703.0980 234525.2550 89616.7088 127552.0563 1057674.5800 234582.9227 465154.5912 858822.9121 38554.4393 134153.0112 150069.3338 608887.3142 294067.8016 260662.5334 150373.4390 24959.9909 L-Phenylalanine 53443.7859 91807.8119 30727.6689 169069.8536 111725.2444 5924.7330 162745.1626 51059.9688 22063.8443 41844.2228 25268.2232 27921.7849 64456.8807 46306.8577 61739.7988 101067.9572 34082.2243 26110.4824 18628.0012 40713.9166 120265.1043 24718.7194 23906.4193 50760.8816 21209.3658 22192.0404 74486.0475 154941.2734 122308.1367 34208.4636 93892.9786 22659.1906 17240.3947 210909.3691 75899.9992 117376.9105 41612.0574 63300.6383 L-Threonine 117045.2587 1399.1125 82011.4180 357875.4116 856.5463 57412.1443 245926.4407 46847.0161 9111.7084 1648.5718 127509.8885 526486.6076 591285.3550 288980.6037 91967.7704 163344.1963 65350.7756 271346.3413 68192.4279 384022.4928 78131.6352 99800.2800 107535.3460 15172.3176 268642.2017 80293.1818 60186.5188 12311.1692 288792.9577 10327.1174 184545.6047 182881.6129 146942.3759 203003.8949 242126.4985 83333.1189 37431.8951 47730.6269 166984.6919 96786.8604 78020.6281 42130.4283 20523.1269 89436.8505 283973.1480 112822.1090 368551.1590 85185.2256 20823.7670 3770.7667 40899.3463 133122.2402 75630.5502 158158.2200 134494.4459 261007.4428 375629.3167 94842.4767 157643.3163 159083.6595 285806.1122 362729.8097 45500.2093 64475.5288 303307.6194 218645.9681 174294.6301 134057.9787 347349.8577 65465.2141 71452.7911 321762.1329 306690.4646 105553.9816 57201.5571 46977.2482 234188.9680 88215.3902 78283.6561 360513.0462 170156.3209 51791.2541 82225.0839 23215.9617 216259.3691 1871.6115 145243.0808 1906.0543 3145.5386 120118.1752 376705.1334 2607.6017 3124.9834 22000.0833 126764.9474 43660.0649 193923.9047 223094.4323 184121.8753 70352.1341 181897.1342 200957.9157 101735.7546 878759.4927 67336.9010 88555.8577 112905.7009 80580.6071 13242.5543 124224.3303 114906.3152 381810.6378 Lumazine 7922.9553 52297.1455 58195.6426 162666.1407 14639.1613 25490.4392 44162.8331 87287.7719 378549.7973 24278.1596 25324.6987 9753.8026 16457.3696 130031.8375 14437.4965 39289.8385 31936.4891 14443.6646 19616.5910 11503.3199 32221.0412 59192.2421 11534.1565 14184.8446 6405.1313 15541.2211 30574.7426 29476.2639 5367.4171 14820.2099 9237.4241 40673.0393 43639.1303 23687.4817 22959.7954 4384.8346 20043.8584 21917.6156 21835.6688 9117.6903 8806.0552 34863.5295 12118.4524 13646.3872 58937.3742 21596.9183 10469.4431 7216.3747 40202.3260 33766.2974 3267.7774 27164.4107 11009.1313 6700.2117 27308.6755 75154.8071 21406.6568 4030.4615 42100.3653 23708.0733 46830.0621 20918.8639 14787.8568 31504.3797 31505.9441 17427.9734 33721.9490 28231.8713 10943.0531 8835.5827 24810.5163 83739.4655 19354.3691 14156.4717 Lumichrome 4220.3308 11505.4032 5253.8022 12279.6556 10188.4796 7433.9481 15105.8981 11147.9973 10403.2739 10427.9120 12256.7326 9487.4375 6140.2076 5830.7637 7124.3274 8119.8343 14609.8358 114538.3283 25358.5887 35981.1306 1828.4767 5294.5022 18800.3207 1605.3947 1867.9385 5693.6939 6809.9211 8924.9047 4965.3135 12143.4894 6166.4083 34285.8661 13895.3800 16454.2610 11188.9453 4097.9811 25399.6739 11894.5975 9031.2135 15932.2703 30829.8134 27650.4808 17927.6026 21076.9492 38577.8769 4443.0935 36262.1148 15772.0977 8178.1098 26243.0956 5583.7670 41298.7114 10626.8308 28676.5281 10847.1603 17301.6146 25639.0385 33033.4852 12097.4037 31067.9570 9864.9048 1391.4613 9595.9575 19973.2172 37040.7753 12673.4202 21735.5419 52986.1746 6488.9522 29701.8782 16151.0073 7403.2999 10470.7123 18581.1259 4384.0881 15556.7706 22847.1265 25992.4425 11301.3693 23575.5033 14813.2630 11070.2871 6595.5636 3147.3465 2870.9508 41597.6446 1632.8742 11598.3097 32559.8253 14174.9706 33513.0034 44265.8215 26096.7175 5171.3493 13321.3643 40516.1592 10853.9504 5033.5257 12435.2648 1879.1187 8476.1845 21670.5078 2981.8285 5385.6333 17454.2098 13865.3787 24581.2306 18976.3381 67592.1762 22454.2732 10482.9951 19314.0126 Maleic acid 2902266.1120 18531971.0400 172747.3683 5039322.9230 178091.2337 2597655.4740 312578.9746 6882731.3100 4757341.6810 53815.1430 441237.7010 207011.8883 2219599.9060 2400426.4430 133170.8601 170361.7154 3754547.0920 7539244.4230 178636.5211 8557434.6770 11367381.7400 8112162.9860 215197.3639 34433.2598 121353.9538 10721656.4400 1815275.9710 66887.0673 386985.7931 9499418.5270 4653410.8360 695435.1614 228132.2366 8181276.8300 154531.1803 107466.9492 95207.7694 37295.1862 8981734.2090 72070.6598 45321.2925 3417833.7250 72444.9391 4435479.2030 252261.7876 112908.0234 12395296.6000 23642106.6300 66400.3311 13742335.1200 115327.1613 201481.8454 108457.6492 741073.4597 120326.4868 7311683.2830 4193908.2520 6716840.1180 926643.5747 7093142.7900 134220.6588 12312150.0300 202828.2564 4404784.8830 8243127.1070 204816.1435 425590.0118 2584524.0910 37153.4066 13159871.2300 66965.6222 117670.0150 220548.1494 2922474.3770 124713.6545 74173.3271 1267429.7970 6836727.6260 17515512.2100 157895.8003 11439620.0500 1733118.5990 116006.4532 33725.8247 47377.1347 20920534.0800 77060.3225 68605.2724 293130.6128 6709602.5580 22980834.8100 398459.5195 91070.6478 6895195.8220 48775.4506 46676.7099 194775.6747 43576.7406 10526453.1400 98012.1046 2949745.0770 28259007.8000 2284584.6600 321903.3347 572295.3617 46421.6917 138799.4005 6060487.8500 19539326.4400 14780115.6600 67568.4822 161753.3013 Melibiose 11939.7866 47932.8119 12946.3595 77650.5050 21301.7680 21022.4400 11878.3010 18986.5745 17618.6689 48659.3027 10936.7854 27286.3335 14011.7369 17465.0858 58476.9819 12419.5335 39839.6217 9687.5610 22890.3726 38187.7084 50341.8829 117253.7961 7431.4739 6528.6107 8052.3857 96635.7737 21174.8746 17570.7321 25188.7229 58055.1439 22283.2848 29540.2099 107406.5577 26192.1459 17348.8514 24196.8781 18569.6059 9528.1352 49024.8269 15411.9130 12930.2367 18610.0920 7829.4414 21320.3535 6452.6931 5694.3293 39096.7931 79244.3258 7645.8835 124693.0497 8379.0151 28341.5572 9761.5667 12011.7818 13219.9322 13774.5598 11510.3398 64831.9611 6149.0894 28941.2570 37115.4462 56000.3476 10910.2253 68340.8871 8967.4342 18886.1716 19948.4045 73517.5250 21902.4129 25492.5252 22527.7936 9647.5034 18133.8854 28029.0091 15232.9027 19362.5403 11944.3080 37039.5306 45180.5704 13919.7040 52087.9989 29019.3319 27854.2087 18047.2317 11656.0768 33187.1673 16109.8415 24079.3169 16607.6912 24329.5579 73869.8050 13091.5824 34700.5766 12180.0840 14720.8985 10631.2430 13192.0749 11976.5537 14335.4998 25993.2831 79305.3119 100451.8943 16025.0798 24432.3774 14036.6409 21035.0831 19660.9555 69558.5125 58892.3230 30312.0295 28215.0770 12776.0787 Methylmalonic acid 100209.1163 2029631.7000 8503.6131 120194.5781 124821.7544 13676.0849 110225.1311 177717.6752 54493.9040 192069.8646 633792.2238 6147.5083 564400.2297 40449.6671 487819.9977 40204.0100 289166.2308 87987.5023 29519.8342 89836.4233 200612.7522 197191.6070 47546.5069 73050.5191 240186.7829 60102.9283 40112.8451 79212.2936 40127.8551 6495.1687 97968.3254 121375.2412 15771.4146 89621.1992 281262.1454 540850.3064 245685.7202 78660.3925 37886.6477 69400.7643 17015.6135 60461.8070 370038.5006 187181.8486 56640.0786 44551.9482 21012.1322 39347.6999 186179.4857 63676.6029 48022.0760 74902.6308 383993.1735 489682.8763 432627.8520 9359.9197 14436.0870 136400.5323 286931.9295 7283.9878 510193.0525 110477.5459 192672.2472 360051.5782 5590.9602 127329.1097 278839.1310 24639.6842 142948.1028 5746.1309 375997.8719 217814.6924 204290.2343 526240.7975 40557.7628 98210.4451 205282.6843 1221.1951 101673.1571 310255.7655 367184.8276 79788.9600 57317.7579 119848.5632 5125.5523 100610.4468 206744.1536 610704.4825 170842.4945 83502.2609 36458.7902 979.1088 93335.2234 284066.1058 30837.0737 197149.2765 5448.1620 101173.9942 68758.0669 125310.8323 39932.5148 69.4518 17460.1426 Methyl N-(a-methylbutyryl)glycine 15966.9130 11142.7931 16929.0226 10546.7855 23953.2192 9153.7252 6168.5927 15530.9275 7465.4162 54013.2161 12229.9481 47361.8092 5297.3113 8212.3356 10936.4991 15121.8296 21419.6338 8845.3705 11542.6774 9312.9718 11181.6274 8469.5652 6336.2054 4666.2462 4910.6207 2768.3051 7436.8872 5337.7323 5747.1901 8471.9561 9592.3974 8032.5421 7272.3340 1738.2990 6301.4797 3836.9228 5781.6250 7969.9698 4778.6785 9140.5147 8178.7261 4855.7062 3933.3126 4596.0020 5636.4982 5216.4298 8499.1371 11861.8939 3452.3454 85553.8042 7033.6311 17295.0577 9722.7242 10191.9816 5888.1102 9588.9381 9382.8979 7688.8146 9002.9451 5902.2228 4470.0133 5978.8122 13355.2392 47100.4665 6951.2741 5962.5418 10712.0469 4068.0875 67785.3919 7184.9284 7444.4672 7847.5261 11833.9233 5735.0470 36212.6965 6437.3499 8239.4457 11983.8782 6778.5262 115420.5924 7439.8796 9309.4318 5863.8670 5426.7775 9313.4865 8462.9851 5937.3121 7734.1969 13169.1614 6485.3301 18431.3434 8544.3872 7213.9033 2537.1889 8915.5316 5367.4847 9069.7707 9930.9414 10095.6736 5746.5080 10456.4831 9842.9116 5052.3109 7829.8768 3799.0302 5210.5204 12273.8506 5873.2788 13942.1835 7623.5318 4817.2530 8087.5880 myo-Inositol 2873.3541 9868.1844 2277.8702 7952.7623 2577.0349 7234.0618 4397.6980 8966.5036 9388.5512 14071.5065 2675.1779 11561.4243 16199.9623 4099.1288 8439.0021 2379.3810 11383.9511 3952.4600 11621.5723 7616.9334 5750.1750 23216.2400 3302.7998 8075.0068 4208.6506 5805.1575 7153.2683 3598.2307 3276.8405 20516.3976 10203.5439 4518.6942 13694.1311 10265.1751 5909.2094 6851.3258 7200.0508 9504.7594 15120.6929 3487.9824 7152.8909 10324.3888 6005.5918 22047.8331 2669.0105 2874.2461 12199.5509 8099.2459 11558.4046 11291.6830 3746.5141 6015.8085 2152.2376 5580.7410 6016.4790 4512.4587 6828.6396 7373.7724 1650.5793 18667.1403 16145.1874 15769.1927 6411.4295 5513.2103 3204.0711 3627.8362 3976.0160 19627.4618 5030.2910 11182.9874 5885.4053 2411.6711 3209.7127 15955.5093 8619.5051 9877.7553 2737.4482 6634.7557 9318.2013 10665.3885 11267.8186 20554.8892 5707.2162 11142.9901 1848.5662 18256.8470 2812.2070 11308.6531 4097.8749 5669.5473 9423.1845 6013.6360 20844.4884 5241.2531 5495.4345 1901.0065 2536.6438 8507.7625 6433.2215 12262.5599 9941.9278 14820.3934 13049.5582 13564.7863 6154.3138 8627.0906 2417.4330 15716.6047 8601.2284 14758.8742 11355.0377 1904.6235 N6-(DELTA2-ISOPENTENYL)-ADENINE 6316.3514 4752.1702 3644.7719 5086.3742 4110.0237 3710.9339 2347.1232 2866.5708 758.7063 6777.6422 3715.1983 5316.6291 2720.6223 5980.5521 6927.7541 4733.0959 10923.2393 8123.2682 2036.4268 5015.7987 2126.3682 4316.9243 1013.2176 3087.7965 4973.7240 728.8004 3786.3354 943.9860 2476.0499 4227.5896 6253.6595 1434.5399 2825.0578 1200.7479 6027.4080 909.7365 1744.4207 4692.0625 2396.5887 2745.7343 1159.7181 1138.3227 769.1149 2204.3008 907.1503 3802.0151 4554.3263 2356.1245 2350.7383 2973.2489 4309.0844 7827.4711 7644.7849 3331.3006 2325.5137 13902.6153 3959.8808 4819.4052 3181.7960 1741.2535 2437.3291 4243.1121 6584.4561 3648.2326 1823.6230 2537.2099 6334.0189 2089.1871 4568.9101 3539.5503 2815.5990 5051.4670 4167.5649 1538.5713 4291.7775 1651.1663 3468.9806 1975.1259 11800.2573 2910.1750 7537.4947 3018.3414 5788.2699 3668.9087 14049.7113 2879.7359 1520.8596 1928.2213 1030.2125 6424.1970 5360.0936 3147.6325 3281.5842 1097.4413 5334.3018 3332.0552 9982.9034 7293.1351 6069.3207 1857.8033 2650.4933 3358.2836 2631.4964 8804.3640 2249.6299 9380.6310 3857.3540 3885.7121 2013.8752 8648.0618 3330.0020 3141.0018 N-acetylaspartate 2576484.1010 110136.3862 2320365.6700 4099629.3190 3867745.0330 611857.0181 3143110.2860 208024.3686 1184739.8170 797642.7692 2284818.7660 5079626.3010 670110.2420 2242201.6000 6281318.8740 3541530.9570 1372726.1000 863042.2007 2446455.3110 1246019.5420 446339.0665 1269323.7310 2686236.1500 310304.0024 3443231.9020 590949.0004 2570223.4830 276126.8169 3514486.9240 441640.0932 360119.3494 617020.5288 1358795.9500 256903.4544 1576048.6810 2319617.6240 1098910.5670 398193.8177 150534.4077 3059763.0580 1141927.8080 1117094.3360 339601.0319 455047.1671 1783667.4790 709456.2407 591419.8474 50238.5535 298591.1865 75687.9811 922257.6432 1389455.9170 2174713.8590 1588957.4100 2569426.3870 319457.5576 3124320.7710 945297.6858 1916661.7230 139524.1626 5609953.5050 834529.6893 3519333.7260 417732.4824 1515581.1430 3680945.0820 4084895.5950 1321623.7020 2330671.0880 214604.5220 4216838.4800 4820421.9250 2824838.2160 695693.3052 1402798.0820 623027.8790 750008.7813 2922209.1530 346199.0180 4944039.2160 3006667.8220 986474.1353 2824779.8990 449623.5236 3845601.6140 119607.4999 2267309.7710 4703096.3230 2893854.1010 309682.0424 229931.8713 4560725.0860 6496942.2670 123165.1657 1082491.3330 2727449.5850 1566240.1300 794946.2709 142810.2901 2052427.8030 2061244.5110 104650.4600 212861.4795 2901222.5310 862041.7584 2936672.4360 2046377.4960 298055.6018 104784.5935 327064.4034 1128305.3610 3323739.6130 N-Acetyl-DL-serine 325306.9914 14770.8124 219963.9115 169561.9598 98302.9686 21232.5850 138439.9017 16824.4975 33298.1270 108274.9058 48571.3173 455812.0625 48694.3236 206453.1871 19078.2850 570929.0334 308880.3942 23914.1474 291145.3430 19692.9773 66606.6091 18517.5396 254869.1080 64215.3040 264903.5735 24685.9056 54396.1887 134279.3303 104414.2071 34920.0721 118631.5112 33826.7437 19694.2961 32182.3207 39499.7878 50156.2050 132292.2757 177119.8451 27204.4369 323161.9311 128220.0224 53646.5050 91770.3418 9961.7526 241441.1163 486328.8617 71123.5733 11696.4415 186284.8587 10598.3904 327231.1986 57109.2095 206071.7915 257821.6167 110573.1019 34023.7730 87904.1563 25912.0132 356803.5120 12446.4937 72439.9644 52615.8237 95838.3753 21228.9735 132966.1761 195132.4915 162539.7128 70634.4745 297904.7966 7563.8323 17028.0934 142151.6629 289857.6020 25347.5961 425929.2767 116660.4091 22494.4171 36587.7003 33074.7104 446876.6867 10804.5691 56943.5026 33742.4932 33865.4152 38619.4089 13193.7268 265067.7071 96799.4831 254666.0434 24356.4534 20436.8262 34234.0951 23460.4254 17636.7308 275162.5405 69379.9718 260080.8766 335881.6983 35093.9558 33401.6558 105458.0670 7539.0621 51468.7583 97553.8090 21535.7353 42778.0330 619490.6057 27834.6130 17713.7171 24694.9113 35576.8224 35040.0966 N-Acetyl-L-alanine 31364.5091 27404.2937 11692.8137 75500.2534 5173.7616 9491.1663 34772.4150 2054.0132 9575.3910 22156.5233 17258.8938 62165.1880 43722.9826 146443.1298 18582.8351 23125.0509 56299.6708 29812.7910 42364.2412 66696.1423 64200.9925 16138.5680 19046.3638 10057.9908 45734.8824 29222.3212 10823.7920 20634.2232 33682.5080 47370.2611 20940.7367 17636.9805 78747.4135 54286.9517 21203.9143 28154.9459 26305.6577 18616.9135 35853.7164 7081.4367 22426.1382 26547.5653 21201.7255 30317.5332 36492.4672 28977.6862 45899.3544 31247.4789 18794.9558 37748.2243 10686.3252 42828.7317 20944.0450 29214.2716 20968.4997 34899.5478 43321.3787 83808.3095 50970.7104 20606.9193 90846.9380 43098.1394 34294.8662 36913.7463 76443.1117 31772.2744 35111.5872 42126.0476 1356.9443 18382.6983 24031.2041 36376.9728 22537.2276 26108.0237 18132.2187 35408.7036 32201.2844 23592.9995 56055.8374 54100.3913 29734.6268 42638.8521 58042.0222 11652.6823 25217.2527 28950.3475 26473.5854 38720.4161 15150.4886 56915.8588 36002.1936 65416.3137 37283.5837 27377.6023 16154.2126 30757.8402 23915.8799 16161.0858 30517.4705 15627.7336 19788.3857 21942.1317 32957.9586 40901.4560 21739.1603 57048.4456 34365.4812 43250.3600 68797.4742 44630.8718 2625.1728 29583.0474 N-Acetyl-L-glutamic acid 4414985.2930 86345.1416 1256025.6380 1100836.3190 1115067.9990 171836.5419 909759.0191 128711.4873 156872.2284 1263438.4030 1714704.9310 306998.3921 719785.7901 363891.0139 918329.7800 361825.3384 247615.4975 854476.4135 301630.4921 202934.0215 275069.7486 891178.3692 212373.9706 1043106.6810 193745.0714 610069.3606 70139.3765 334920.3660 165283.2808 430026.4997 145942.5068 366516.9714 144104.8057 439062.8656 860950.9628 423469.0756 311118.4493 198889.2378 1860585.9610 210746.6428 259004.9149 177164.1201 206391.5163 644596.7027 1222540.3970 253545.6182 68956.1992 435387.4150 51368.5569 822186.2868 413589.3749 947238.9009 728582.0096 485925.1431 202092.7179 819098.1182 419457.2992 1010054.6520 162605.7717 525154.2923 309432.5123 696354.5723 182220.3289 506995.7194 352145.7757 812103.4074 743072.4362 67541.5406 72398.8200 257060.0560 877185.4031 363780.5534 243112.1338 422496.7197 248800.4523 545460.9420 559858.0517 166828.5578 845409.3161 362796.9555 365408.4772 231909.1952 413805.4582 354378.8058 95317.7354 265112.1325 694386.5000 682286.0358 122071.0385 170924.7570 461802.1154 485599.7157 37469.8463 552350.9444 492914.5971 334737.8450 150435.3217 142023.5178 663606.1839 768545.1984 74684.1316 143591.2497 539243.5184 263046.1626 525857.1014 661642.1489 1130550.6060 167760.4834 227203.0022 92137.4923 716820.8565 N-Acetyl-L-phenylalanine 23251.7886 93254.4314 17859.8144 43778.3022 52237.5419 116194.5603 17977.2115 19820.0809 68631.3168 37579.5534 25023.3571 92895.3053 30707.3656 13242.0863 41348.1168 121129.6333 78115.2506 424207.6061 67473.1177 104483.5660 1551.5542 66819.2663 35125.0496 7967.1605 18463.5736 3641.5243 27571.5956 14169.7314 11238.6503 18692.2164 47293.4679 57179.6762 11425.3415 3291.6658 144058.8394 23480.7626 51347.1062 17451.3949 52104.3234 2648.9588 54773.4524 24004.5776 62168.6793 80753.5616 62387.4812 36286.6259 65820.4627 80543.0282 48842.4518 12994.3618 31856.0784 122411.6140 155939.7054 36582.9650 36720.1774 133133.4219 81104.4365 118458.2421 54033.1841 87675.8294 83728.8295 29237.9872 97951.1938 38309.9643 140515.6413 88624.2517 65270.3309 17188.0020 60550.1335 180142.7291 61364.8008 129759.6963 192127.4373 22080.5700 6571.0707 147872.5690 89559.4657 113212.4586 322807.4544 37565.5795 141152.3525 95796.6054 107841.4895 51963.3635 26544.2146 180102.3055 17443.3419 198962.6119 88006.9022 66161.8820 42102.8375 70490.3307 99655.6159 10813.9777 190231.4487 58982.0554 136930.5744 36768.6906 90888.3566 8078.0688 54389.7944 8918.5894 1893.6868 24750.8873 60385.9725 56772.7425 50307.5848 100666.3345 38632.9292 230886.6165 6354.0851 230151.9333 N-Acetyl-ß-D-mannosamine 101629.7467 23759.3118 111512.4139 9103.8811 112461.0836 27321.7388 81174.9913 26013.9247 66659.2758 54202.2431 20474.5982 9927.1858 32163.3255 6062.0997 8259.6429 6740.5629 38563.8492 75083.8782 95789.9088 123683.5727 9819.4584 44441.7464 59589.2452 7098.2418 86578.2886 124567.2683 49516.3385 14678.3500 62334.2278 45443.8538 72526.1844 75661.5201 56908.0527 80878.9475 128393.9488 7981.0312 25154.8739 14152.3548 87944.8865 13423.9181 63217.3604 40011.2835 24883.1336 39192.5271 18899.1142 58186.2208 8270.7593 129459.5147 14525.5670 15788.4212 48592.7094 31824.8988 68010.1958 72586.7606 49145.8611 64464.2120 50808.3782 4849.9918 53946.0996 83833.3615 30245.9284 34674.1310 50658.1144 34154.1135 95209.0157 4654.7445 29483.3026 119281.6789 89062.6851 9975.5806 52696.2567 41946.9591 116218.5456 84056.0871 4238.2340 13478.0846 76774.4819 116285.0035 11903.6323 91451.1431 195694.6907 33947.0080 106466.9807 17813.9627 69200.7789 35978.7113 113730.8396 61881.6246 104354.2224 12591.2414 15642.6027 84454.2761 9282.7876 8298.2168 55091.4183 26887.8043 36448.1170 79326.2284 32096.0157 35477.0675 141690.7635 207403.0457 18156.8777 31956.0366 34805.8458 35641.1001 67213.0688 53097.3655 5767.3058 107440.5291 45399.2224 82539.8181 N-ALPHA-ACETYL-L-ASPARAGINE 6471066.7410 106436.8300 546893.6092 1048380.2460 250561.0829 54904.4929 512068.4578 52469.9287 65146.3169 772089.7705 880663.1523 2430221.5210 140497.1132 385151.7583 212181.3646 2353091.1220 359270.1302 65035.0439 1189764.5850 599700.8119 226710.6452 78046.7341 457603.4307 118087.7734 1174363.9710 124278.4193 99775.5103 127203.4528 509051.4666 214984.8589 50006.9034 84950.0390 223960.3410 185740.4775 246609.5798 124513.5299 167751.9857 646803.5571 364192.2955 1378083.4310 201114.0587 74551.7990 286343.7743 27642.3452 308875.2099 1570571.5720 129477.2399 61384.0991 525947.8723 120900.3932 171269.0126 919233.8995 244045.7645 681963.2171 208703.3470 261765.0864 326167.6615 139119.5699 473331.9446 114327.8353 921197.0896 576254.2992 519541.0739 140430.6908 396364.2448 419863.6984 684388.9987 279178.4970 4181800.9270 27939.2222 224539.4905 725332.0800 696292.1461 264418.1308 188561.5919 180895.5133 147621.6253 373992.6760 181643.2496 1340947.9630 190617.4896 83352.4197 531438.7335 58957.2692 563089.9020 132605.8267 612881.1288 1329029.1430 825906.6684 163499.4896 301058.1979 606725.2530 2939958.3420 148689.5279 563248.2602 1033649.7460 766977.6585 116730.4880 49105.5891 534780.5173 815295.7450 143098.2950 18683.0320 113338.4880 83790.0654 681367.2246 1559926.1180 220590.8277 139350.7147 86929.3941 494252.6626 262658.2674 Nitrotyrosine 25520.7275 21636.4131 20255.6028 42856.6378 39869.2855 22995.2150 14829.6679 34636.7836 129649.5418 44128.1872 35976.0157 27415.6414 113921.3450 15706.6294 27509.8720 25331.4770 13445.8004 14409.2586 91872.2803 20403.0437 61126.0109 24809.4083 22238.7211 6071.4438 89567.2984 43951.4173 11487.6602 5957.9489 30049.6264 37975.1433 21291.4875 35276.4759 36094.3450 27031.3857 19686.8743 16478.1722 14155.4369 5133.6443 16288.6453 25281.1816 12497.6819 12061.3788 5975.1879 7412.7549 8704.0839 8221.7193 24240.9159 31400.4029 3873.5561 53557.2978 10838.5260 22796.1926 16079.5015 9611.3508 14128.4150 11988.6634 18684.9040 20435.6187 11796.7934 18177.5484 19318.3684 51874.7650 20057.9116 27536.3151 25241.8561 23856.9024 28987.3221 15991.0133 23634.2539 16206.2657 21365.6099 17776.4152 28492.9618 22778.3620 13418.4160 4806.0569 12075.6091 28284.3415 24824.7700 21735.5907 31135.8797 6289.5219 26435.6575 7149.7094 20632.7278 24350.6222 20359.4241 47980.0375 37282.7563 199490.1133 55212.5433 16895.6034 108509.5489 3628.7371 20142.8597 12268.7169 21134.2505 18056.7979 14002.2651 206547.0487 27424.8867 42228.5629 33840.4924 16927.3636 10723.1389 12061.1339 20072.5880 23599.8757 237703.8669 15511.4852 8761.2349 23018.9500 N-Methyl-L-glutamate 19551.9818 12417.3252 35382.4860 32075.9227 17456.1930 11965.6845 154246.8254 16814.9217 20854.3768 4149.0651 120154.3657 59060.1107 73927.7231 484777.2879 49585.1821 207678.6067 149023.5709 224396.9681 64448.9231 101462.9905 43052.9732 12757.3244 51118.1060 84651.3556 135374.5716 7400.8676 70218.1734 10077.0904 6276.0662 3914.9840 40057.7660 13671.4363 46494.6624 10393.6201 34953.6973 54433.0488 58319.3009 181297.3997 454.0554 46167.1181 129545.8132 86537.2570 39739.2723 32499.4856 83763.8719 334905.8481 31385.9133 26910.2698 74861.3899 6288.5305 148238.3691 5918.0477 186580.1070 130181.9299 70149.6175 106494.7147 81441.2358 129870.1846 317816.7288 31926.1074 12352.2932 107443.5781 35270.9835 22832.5340 157979.0612 50483.2414 84703.8658 1911.9941 8280.5353 115325.5976 204612.1438 126080.4264 13810.0009 70065.3692 69646.4036 53107.4607 29730.3308 114118.1126 200106.3904 37038.4947 1012.8751 71528.9008 118323.3132 21782.9770 95840.7716 1947.3413 79829.2261 16726.3458 22230.3169 105519.3083 989.2121 3636.1439 4800.7782 121234.4222 45679.5500 167739.7675 154500.7290 83615.5780 52455.9326 32541.3169 402341.4402 313.3799 2595.7202 18637.5704 152151.5371 170388.0665 29722.8247 6730.3941 6645.7459 72189.5835 169875.9375 16818.8940 Oxoadipic acid 85026.7824 45813.5679 24408.1798 84514.4725 160375.4834 10657.5197 42164.9194 78266.6335 165682.3719 21883.0435 74632.1705 33521.3525 35320.2636 51229.0639 223869.5838 31780.7343 9734.9002 3368.1603 24963.8541 24881.3730 165139.4512 1285.0197 62249.8183 30617.9121 20061.2294 141710.8112 86588.4087 40499.3659 41983.6356 127795.6707 23297.3001 17943.5287 114766.5898 84126.1626 23909.3968 131410.0409 89467.8413 27705.9146 24522.7289 69292.8478 15094.8002 77972.7166 12034.0538 24479.9955 33902.0575 37701.2285 72014.3713 77656.9804 2783.0418 23605.8129 43120.0784 18466.2501 45633.0159 19409.9029 10274.5251 6262.8102 46445.6167 33048.5673 33920.1874 5465.6578 16330.7188 9477.9614 67385.8051 43837.1550 107952.3148 21812.5734 22112.5560 14747.4276 1078.1472 10576.1472 90781.1770 60540.6015 23419.8363 40888.9024 20076.5235 1870.5974 2848.2847 8644.9102 8403.5116 9807.9884 36895.5441 2615.8758 76533.7311 23182.0237 5423.5981 18099.9454 32207.8301 78772.7043 21134.3198 14666.3289 107759.9722 31193.3622 43185.7096 10228.0291 9471.7921 22809.7723 6581.0444 6440.8454 8510.9972 22828.4984 23664.5755 46315.9628 24912.5606 21897.7142 35149.4644 47782.9878 8937.1049 27177.0568 208639.0974 14198.5006 13826.6536 24465.1866 Palatinose 9243.0801 68065.8588 191581.2215 648868.5289 125119.7184 97642.9825 41418.4584 155962.7239 22590.7265 31323.2928 55822.5610 47662.5859 203977.0462 141238.5144 231560.7423 108063.2541 46796.9541 251267.9364 50381.4263 177823.8348 90738.9823 766177.6016 108825.3374 45514.5855 131894.2142 265214.2542 61820.0388 31446.1219 26354.1303 68832.6258 87438.9431 50877.3694 1949151.4640 61018.1699 121803.5824 402129.8451 337494.8560 91976.2391 81636.7986 21530.2908 160760.9878 145257.3690 263550.2025 222038.9254 95369.6544 117985.6740 179517.1219 248865.7709 40608.0345 747516.8569 93731.8757 36173.6980 78608.9393 72155.3062 79596.5041 191603.4374 100721.8155 95403.3018 100507.8915 236112.1988 45708.9385 205889.8030 119175.8260 93136.6202 64469.6325 106425.5235 91006.6523 171774.3400 48784.8812 346913.1731 221444.5827 20004.4317 356151.0027 279843.0693 52597.8013 110856.0992 96643.3990 723339.8635 510918.3941 75078.7620 39044.8289 349230.4569 116193.3973 131643.4282 8935.5251 198769.3358 322467.9871 242711.1797 180606.5299 21528.4294 278532.1208 35456.1368 209614.4493 65119.6614 451691.1505 123362.5181 123914.0593 468183.0377 126711.8869 174933.5279 273298.6355 112518.1280 90179.4259 265362.3413 114288.6388 80392.4435 65529.3589 183449.3314 67285.0743 342191.8051 58285.1950 33678.6760 Pantothenic Acid 166528.6795 34606.0101 99670.1056 47456.4252 82089.9671 70448.1308 73985.8583 43268.3960 38719.4193 35543.7292 68163.8457 33538.7612 20656.5306 150421.2725 13108.3180 126205.7095 97931.5748 20206.8172 46534.0875 73003.2465 48194.9319 129215.6657 140807.0731 70582.1365 95593.2435 62632.4638 70647.0675 53009.3322 10193.1694 55075.5403 87375.9788 19344.4911 40923.6813 24249.2791 62547.9143 31309.7873 73209.2488 103132.4386 102142.5083 152730.0633 67345.8204 38711.5070 49835.2680 21303.2013 49266.4981 202120.5220 108609.8410 78722.4478 78018.3862 30990.8250 156682.3165 9466.2087 160401.5560 31293.3674 45844.0390 299655.7768 109803.8348 58182.7645 242023.5897 23038.7882 36218.6152 62276.3117 149083.0429 49223.6475 50836.8670 57384.8525 27601.2519 121267.1965 29478.0228 18046.2503 71505.0881 82250.3092 45753.8163 61147.0082 132717.7235 26545.1242 29503.0114 30277.9551 29963.9105 51101.8635 6272.3472 63385.7413 9339.3243 39708.5811 19501.3245 7325.9353 64462.6843 6761.0817 46282.3928 75295.6538 33077.7623 18431.7959 31633.3434 39386.9399 66622.2426 48320.8824 150078.3996 97441.5329 36811.7881 44243.5349 51338.7965 116897.8769 42039.6471 292489.1511 15861.8401 34594.6440 64505.3019 41943.8794 25816.4388 35844.3819 81797.6730 39375.8054 p-Coumaric acid 20324.5682 61660.0332 8828.9172 14935.0593 100081.9224 10187.6293 112173.6108 38914.0816 17988.9653 9931.9563 13965.0001 15446.7998 98463.4171 12180.5178 20208.4347 17489.7077 11878.5588 222204.7736 14144.5059 23906.7480 5599.4218 11302.8170 84569.6953 6633.0724 16906.2650 3848.2568 15670.5199 197561.1432 138237.4051 39889.2485 9289.6549 198755.2193 162738.8165 125537.1660 38114.4789 997.7548 220273.2060 49557.0618 44674.8593 9382.4687 30705.7204 111509.4450 65554.2863 63765.6805 116461.3415 7840.5220 312110.1926 28561.9073 12905.0560 36430.9394 11898.4795 192866.4691 19400.4425 368754.5129 81792.6378 54883.5114 296851.0777 180736.5576 84484.5487 51467.0484 28307.4225 12439.9860 116644.8341 252093.0280 139351.5193 40472.7430 506588.5408 65586.3558 35271.8788 72662.5144 96932.3163 32798.5306 41591.1655 3080.2792 24213.1781 268287.3017 28307.8614 18903.8341 130822.5368 156249.7997 11145.7286 89257.2012 19524.3695 8410.3187 10232.3863 164742.5789 4221.7871 24767.9522 86081.4449 78893.3114 268071.7451 449328.6701 23280.0568 5855.1702 74542.1010 16130.2198 28117.5482 12948.4556 18886.7279 4695.7177 37691.1156 75645.1262 8317.7499 29805.9431 55779.7755 61346.9391 24009.3880 580479.1535 260405.4906 67836.1924 11424.2576 18622.1294 Phenylpyruvic acid 11922.6856 26118.1089 6398.6966 11176.7983 44377.3217 4650.6995 1153.5114 97079.4692 47808.1095 782.5348 6572.5099 20395.6159 21945.1531 530.8852 5278.7715 6117.2955 75143.1013 1713.5750 2890.7143 3109.3064 4749.7223 440.4426 2331.3192 478.2797 1674.8326 7342.3419 2093.8578 1487.2909 7175.7412 10617.9878 3629.5329 3579.8307 25274.8167 8685.6408 2290.1234 9514.7582 9767.3614 1875.8500 513.7949 9091.6557 940.2344 4700.0234 2251.1466 1521.2863 5639.7881 4404.6029 6983.7517 4883.4669 792.2604 6855.6074 776.0685 6768.2957 2293.3611 3729.4003 3221.0098 3641.2648 2816.5284 3370.3106 2352.3711 1268.3180 3632.3980 1805.4748 5092.0630 9939.7890 3723.1277 6331.8683 5733.7869 205.7270 4888.5677 21763.1105 2969.2724 6416.5302 4210.1008 1699.7973 42539.4016 3073.0462 2981.0702 520.3564 3099.5311 3311.3553 3562.6241 1479.6642 7599.9516 1736.4116 2069.8313 5175.6574 1110.3103 3729.7346 4446.2196 3094.4172 38013.4291 6430.6103 5006.1373 5406.4306 3167.4957 13545.5858 4064.2949 2119.1596 5373.1854 148643.5747 9580.5819 11739.1086 6897.3882 7876.4112 9290.4946 4448.6991 1603.6276 9432.9004 12694.6542 5733.4219 2474.4970 2071.6991 Pimelic acid 24744.2646 133018.7304 13165.7002 28555.0276 4714.4719 18932.9600 43747.7422 5376.7935 16655.7921 10016.1727 85939.2555 10138.7058 16661.1556 13895.6175 10542.5955 31821.4749 17616.4418 10388.4567 9835.6615 8969.0173 15574.6041 12638.7148 7115.9360 2777.2890 14927.9549 4638.5905 7605.4306 4982.0061 22203.0094 31455.7047 15933.4435 9169.3131 18751.9868 18026.3043 8704.5175 6058.4253 14115.0617 18101.0880 22122.6810 34538.9455 16414.1647 14878.4954 32822.8135 16799.5289 20590.6906 4423.1448 6284.8299 12125.2833 52478.4013 27804.9259 4040.3585 4588.6679 33271.3568 15186.6415 15594.5692 16127.4173 3962.7925 5380.7801 7830.2687 19872.2494 17765.8855 14099.5857 7923.9406 3250.0170 4193.8345 10568.2025 12185.8695 13797.5566 7460.7481 13105.8812 14334.6163 10889.2916 17836.3266 5696.4761 15746.0496 20561.9443 Pyridoxal (Vitamin B6) 910635.7622 22995810.8400 205444.3907 1306986.3690 57351.3876 2619926.0530 242913.8248 19553115.8600 504290.2998 81729.4227 1260731.5660 425993.9819 23192375.0900 26433434.5900 83098.6661 149657.8193 16779138.5200 19299927.1600 42856.0613 26492336.0200 16778877.1600 6876256.2030 115037.9415 14465.4909 29944.5492 15589350.4700 20012152.0500 146571.4373 92313.5128 33785208.7800 29907399.0600 10890948.7600 10206482.3300 9970232.0220 9498662.2890 80352.2452 90277.7010 71238.9518 10154351.2600 67490.9362 2671158.6060 15586333.5700 143107.0311 25333925.2100 175322.4498 653638.9653 9490793.1990 31170195.7500 47035.3477 6057608.4720 46151.5186 47412.2285 59382.9787 256965.6750 4771328.5070 42072507.7000 12940618.7800 32337669.5800 50905.1085 19247315.9900 177893.3252 19382109.5000 3478890.7120 24887414.3900 12093982.3800 614781.0445 3676636.0130 22488299.3800 988289.2865 36728539.8700 1313453.4400 80033.5430 712179.7268 17931407.0500 366353.5013 5242219.3620 10156946.1200 21745678.5400 27783384.1600 537810.1149 25633161.8400 13432557.8200 22004.7594 32483810.6700 251566.7765 26676326.1500 530060.9094 31665.4265 592701.3722 21208422.8900 11128330.5800 50553.0368 366550.2272 136495.0416 77219.7876 275503.9515 42933.8956 98287.5498 37851885.6800 5279566.3300 2448200.1360 8553380.8830 22494902.4300 8424967.6810 27857452.2700 58510.7818 1357578.9480 12801377.8700 32048256.5700 20243974.3600 32259.6502 18663272.9300 Pyrocatechol 2337.3932 5499.9205 5762.2339 10423.2697 33353.6854 13560.8176 16238.0247 23426.2167 1715963.5320 2867393.7450 30556.2636 7989.9807 2051495.8740 28258.7966 11899.5023 13088.7519 8190.5332 19744.1730 4096.6052 9134.0823 5168.8166 5537.1828 12461.9340 8231.7330 10331.8817 8282.1834 9301.0627 12803.3784 14004.4091 10234.3576 2299038.5900 12091.3346 25446.7621 63826.1708 46775.6352 12511.0709 11488.9986 10727.7276 31167.7853 3770.8200 20416.8808 31253.6207 5415.9643 23707.3939 10519.8885 9288.2625 85508.9100 37993.2376 13470.3591 19679.6388 61873.2472 34425.6673 5355.3413 37685.4919 2521.5494 8914.0678 2105.9283 58817.8679 18680.2101 114957.3689 3928.2015 24113.7146 18462.1004 7112.6116 15319.1512 5237.8490 9070.9783 3685.2608 25493.5669 28493.9395 18576.2681 20426.2116 13069.3698 6785.1371 31754.7303 6730.8899 13835.3606 22989.3689 39793.3120 7454.7534 41909.0811 30520.9393 9650.5065 14195.4903 81789.8699 46641.4382 970904.8041 16427.7335 12860.5880 87944.2676 22593.2126 9413.3143 8748529.1730 5980.3109 2896.3541 5244.2151 12704.7124 43226.4787 40277.6229 37781.9203 35449.9170 30368.7954 12233.8865 4755.4052 Pyroglutamic acid 13449431.4300 2026065.0900 12749166.7000 19029181.4300 1406371.9460 4869177.8570 9434668.0590 2588943.8380 2187554.4540 2476618.1960 11898924.4200 1007563.3080 2522736.0220 7642177.9520 1490003.4750 7825924.6890 24370534.7500 2625857.2590 3020393.4100 2619787.6200 5093974.7600 4559321.8710 21319620.4400 8814365.3440 10637311.5100 25282403.9500 5917109.5420 11544587.4800 429293.5943 2811042.5530 5451469.6190 1417069.4310 3465687.3060 3766067.1430 4938001.5220 3502786.1690 9996419.0030 12469443.4500 5771415.7890 15615273.0400 3617380.7340 5361559.7960 7629854.9900 4114971.3630 6252235.0460 11610010.4100 1985798.0410 7674920.6180 4997989.0210 2128427.1050 17456746.9400 492375.7413 11666814.7200 2368118.6250 4861098.8490 3315626.1920 7576850.3660 7454649.0040 21717723.1900 1210034.1760 2770634.1290 4455691.8670 6792828.6200 5672103.8690 4873647.1710 4583489.2660 6883130.5870 13033268.3000 2372310.0980 1214867.7220 4196769.8090 4748252.4300 3054249.1190 5320327.7230 17479670.2600 7523708.8430 2270509.6890 2921794.2660 2349952.6320 4276775.2170 1091302.0120 6689043.9830 1005036.7020 5082939.6220 2052085.4570 1114244.3200 9442601.7820 718927.4429 3955248.4100 465691.1936 2785068.4030 2159424.0140 1683090.1210 1689130.5250 4503296.0510 2355319.5500 2113885.4240 9414604.9820 2590533.0230 3835317.7290 6084137.0340 10309475.6700 5258181.6110 4543009.7140 1347784.3280 819400.1847 2799015.9280 4762526.9640 3067461.2350 3142148.0600 6631751.4010 4170461.0670 Quinic acid 2891.4049 7301.4321 2424.9920 13251.4595 5509.1297 74645.3058 150290.7999 56579.9438 59652.2009 8373.6708 476315.1772 4020.6336 189699.6151 1492.7793 61338.6934 45834.0521 26804.4695 331575.2358 27158.0681 60840.6564 325976.8041 14077.3475 268455.1433 15167.3487 28806.6871 152135.4638 122670.8207 118178.4176 778229.4220 80253.1545 35897.6702 190161.7970 480084.9157 1209728.9410 59501.6718 765622.4798 2100558.3660 98844.7281 18201.1155 45080.2374 36684.3926 492642.3622 55954.8479 363898.4348 246340.9642 8150.0392 2001245.0340 175830.3713 20806.3235 21460.3077 40251.1097 842755.1124 34948.5151 126345.4464 73399.7411 495366.2437 485544.7695 679920.7535 230935.7484 30056.5875 8766.3237 393627.6232 170645.1376 12765.7850 498363.4205 478005.4497 1142814.5120 113229.0775 2068.8467 289375.2092 208444.1049 100984.2272 10771.2643 42917.6570 14087.3567 200173.8202 34997.7966 357263.0548 38138.5887 246399.0629 12860.0238 146362.3307 21667.5892 16504.8590 156762.1201 215044.4992 63189.7163 50728.1607 446752.1914 277609.4967 20652.6266 573423.5843 12293.7044 22683.2117 87300.4158 21770.9535 59464.3850 13706.8905 33747.8581 53107.9792 142664.0782 1148561.6270 20508.6960 30199.9890 31267.2900 239035.2194 23923.1001 23335.0565 1136165.2910 244676.9607 13929.9663 29844.7214 Raffinose 884.0957 16391.3917 7652.0790 49750.3069 10695.4423 32663.8259 6152.0712 9913.4898 75654.7367 8811.1343 7748.7054 3443.7942 45155.7123 11520.7349 20864.3174 8061.8263 8710.0935 305127.4053 24286.3910 18248.0036 11373.1972 154607.0126 20298.8933 6411.0691 10881.9986 19791.8025 16487.2859 8729.7684 8112.7684 40813.0460 11709.6024 7457.1650 418227.2572 8849.1874 39852.4880 154625.6184 26471.5120 10735.1065 171709.0170 4570.1515 23764.0950 19051.0201 15408.9404 63507.0818 11247.8593 4783.5464 62364.4602 40587.9776 13910.5007 62189.1410 10197.9071 19916.9759 10959.2583 12093.6605 17926.2061 111451.7543 65834.6618 26947.7763 7683.3552 61246.1205 22223.8742 69912.5385 8075.7277 14919.7209 32015.7536 29029.6194 9809.5199 70605.5634 105269.8427 44177.3259 11243.8806 15192.5713 37260.3892 54145.4554 3972.6574 21621.5064 109065.4416 60231.1503 138666.3189 24926.1094 10370.6530 110101.6014 8011.3666 44930.3464 4313.3653 19467.6233 18141.7005 34847.9367 14634.4797 27058.2265 26430.4635 14159.9446 34114.9358 11595.9368 14166.9987 25500.2859 15138.1799 23518.8844 68303.2390 18936.4427 17813.9143 19173.6152 19183.1835 88142.4695 10414.0892 13795.7500 29789.7186 65880.9480 32828.6851 61633.8796 22129.3377 24522.2018 Resorcinol monoacetate 1758.0394 3477.7686 8126.5996 104714.6812 30252.5261 30677.9090 6174.9661 5800.8225 108870.3866 48804.1314 351913.2326 6632.6476 1743.6426 2249.6904 44081.7061 15352.4508 5317.5629 3917.8773 2226.0081 26784.7849 1622.2893 95918.2781 32320.0802 5640.2872 1839.1271 8895.1481 5001.9941 9905.4071 15122.8704 1868.1455 2110.3831 5492.6976 20253.1955 10861.8399 4916.5600 40950.4549 12923.2952 9426.3167 5449.8797 7111.5084 6098.5563 32237.3180 2998.1563 6994.2292 6695.2264 7664.2859 25557.5450 3264.0357 8441.2245 10020.7524 1452.7348 15892.2791 1149.0273 6992.1201 5891.2538 5667.7218 6764.2679 6926.0265 5179.6781 1388.0738 3704.1803 1824.9759 2892.1324 10986.1073 11488.4589 2383.6918 11980.8112 10872.1244 4690.2023 11261.3807 232116.4549 1278.0811 2611.6293 14505.9464 4885.4122 30692.7010 2497.7220 96608.7187 10463.0683 36836.9567 14980.1673 37830.8150 25763.8046 1355.2684 1576.1451 51314.0486 3434.1685 20203.9187 55303.9860 29511.6364 9866.7913 11914.6869 71488.0153 3301.3872 117496.4934 231939.4547 8024.9094 19264.8148 5432.2435 5388.3196 3783.6537 25468.1862 1019.9248 4068.2006 1522.6802 15452.0633 5692.1908 111382.3520 12594.2146 11307.3702 1438.9396 8310.8774 Riboflavin (Vitamin B2) 4536.0748 10081.3608 8435.9375 13210.3599 12033.6793 9794.8238 17507.5803 8271.7248 21135.4701 9215.7657 11296.3029 10036.5283 9530.3334 3653.7218 112063.1331 42317.4142 11291.5777 23058.3655 3408.6482 3235.8726 18978.4377 8945.6925 13286.5579 6418.2312 13470.1722 4551.9004 13774.5095 14215.0694 150858.9915 12548.2368 41025.4145 12580.9499 100808.3044 92300.1323 9879.8826 28625.8057 6862.2400 4520.8181 10182.8885 26631.4993 56746.6460 16508.2397 4036.9625 5268.0696 5947.0306 8870.9590 12491.7865 10378.9131 10444.9768 5509.6190 3285.0895 1031389.8030 6348.5878 7412.9562 8611.3026 49928.7202 7905.6742 13179.5612 13078.6096 7329.3478 11383.9886 12232.1451 652277.3858 4902.0654 7870.8094 6478.5663 20184.7587 3751.9778 2531.2589 9450.0011 59912.7202 12448.8696 6827.7658 5210.7401 8932.2248 2508.6638 12056.6026 8838.2216 62983.1451 5985.6941 5833.8180 12263.9530 101136.6462 19419.1209 19095.5400 11488.4262 7389.9025 35158.3392 101779.1563 84098.5458 7606.2507 13888.1608 56363.6354 14152.5242 24869.4873 710925.4608 4759.5014 19720.8052 10092.8245 3408.1777 165617.0505 4351.8163 3413.9191 17302.5189 4672.5963 25873.4179 16132.8441 11045.0232 72535.3073 12594.0085 10427.3088 6490.8222 Rosmarinic Acid 226592.8261 40520.8762 64349.6458 48794.5416 89746.5293 104691.2885 208820.0629 82798.5034 10426.0249 47031.7357 148771.6063 57325.3622 192696.8841 74663.8851 604279.2536 147952.2020 25529.6336 1588522.7780 61980.1671 127315.7230 40257.1503 49779.2835 221760.1802 42100.2240 125392.5433 62699.0010 185762.0170 381985.4230 1443147.3780 180988.7687 128776.2501 710376.6382 595105.8409 255828.2886 374880.4007 24132.1235 1427969.5590 339499.1691 209075.2448 132448.3100 102569.3551 480028.1527 408219.6385 182524.5169 564274.0380 75010.1256 775146.1861 544599.1300 77264.5069 34976.3284 600721.2922 861035.2099 985322.7670 914578.8263 247012.6314 115962.5359 2719127.8590 165312.8869 1743828.8380 95093.0517 699274.7848 145077.2054 462648.6880 98487.6181 763951.9189 201877.5134 869406.7272 383539.5845 66584.6822 90005.1004 143470.6046 235781.5637 140746.4661 66071.9237 112296.2995 125740.2256 252496.1760 142216.7718 107675.3783 450041.0858 8558.0110 549460.2915 186367.8630 55361.1588 281492.7933 215088.3742 627429.8747 279646.3972 684094.0599 612389.1138 56711.2935 945025.7766 316396.8925 8479.8915 538749.4536 54059.3034 423610.7169 96638.8995 109252.2053 54291.5161 79143.4673 75273.0828 71710.0023 103175.4850 122997.9529 192029.4103 292527.6200 29799.1414 376710.1956 346811.9455 335331.5427 420239.5101 S-Adenosylhomocysteine 72337.0845 61846.0697 13437.5959 55415.7668 10891.9423 20024.0860 16006.0428 76799.2958 49423.9187 169142.4980 227772.0528 16387.2651 24986.2461 13284.6420 212325.7719 55796.9334 58270.3508 23734.5892 56539.7606 21804.4891 20335.0589 43397.8021 78014.9385 40844.6200 3064.5314 Salicylic acid 25392.9532 150643.7925 34022.5428 34706.7282 125445.4972 47524.9824 50945.3696 38650.8661 42138.4681 136617.0629 96366.8256 1172023.5060 51555.4616 81534.9689 90635.2683 330340.7730 29108.0484 60546.3674 55125.4981 259567.3609 18175.2287 5820995.5610 965398.1438 36070.9272 49066.0050 9393.5147 36601.2353 53296.5711 32920.9211 59088.8414 18811.8861 5687217.5420 41163.8371 32880.6389 172733.7650 296549.7103 9867772.5390 151115.2014 97444.0283 73655.0095 115989.6728 103193.8274 440549.9090 155971.8266 2356089.9960 93820.7593 61135.2905 122608.3664 88960.0949 34513.8844 65706.5329 107607.1557 74792.8696 86604.1459 219231.7852 116208.8595 50421.6683 57430.1193 51396.6988 58527.1402 144521.9927 51556.0518 67924.0220 48451.5447 208777.5766 53656.1341 118216.6847 56744.6435 52910.7768 111076.2938 158119.2896 49835.8057 274559.9389 92130.8971 45718.7320 82406.2345 149255.0633 142641.8384 343452.2446 2941944.8300 47298.8514 40337.1175 61930.9647 29866.1300 31946.8500 53888.4167 121291.4956 56773.0509 69241.1079 31181.9799 52527.0929 110143.1132 39967.5697 78827.3554 157170.2207 66372.1264 175144.2182 314022.7627 96303.9644 9860.3710 83672.5232 40427.7869 32953.7724 9826122.9840 49555.8192 149637.3868 365561.9184 57855.7820 97395.9407 70065.4511 66272.1501 57451.2064 salsolinol 10090.8730 260.6047 15321.1253 32864.6918 16191.3370 1737.8268 28117.3782 7366.8028 90943.4252 302682.8692 133329.2378 4469.8426 12413.6900 1209.0495 19403.5740 118540.8806 4620.0769 9575.4526 9018.6403 384.1452 45.6736 1779.9438 3040.0452 1025.4990 3002.9669 4624.3123 295.5683 46576.9111 14096.3557 4441.7448 1021.9406 1562.1461 61144.1292 3263.0433 30919.5439 148.8823 8057.0900 2061.7990 22066.6991 5596.1582 2627.4426 852.5415 2108.6836 468.0130 4667.9802 4381.6545 2616.4115 670.3030 5789.1076 293.9416 6568.6707 14411.0895 6411.8115 8254.2722 3691.8129 252.2111 9409.0517 1727.3679 68448.7874 2527.4393 3141.8852 375.6240 1945.0441 13525.2657 2244.9068 2980.0740 23366.3223 28959.0043 3289.1899 7518.0537 15975.9319 5466.8361 18282.6751 5122.2462 2697.9403 1988.1909 2205.3054 5849.8529 367.4239 4946.5205 5895.8696 68.3269 5803.2149 5919.6321 16789.0696 1404.6900 7690.6124 2225.4252 42179.4157 496.4532 4318.1370 4550.2349 53928.4953 1378.6446 69622.5518 11956.6097 5618.7486 10928.0689 5583.9743 42011.4706 1981.4189 26964.1448 3257.7162 1771.8263 7176.1647 23439.1668 30169.7862 1491.8622 321.8183 3282.5995 28973.0259 20355.3151 Sarcosine 386666.6752 1620411.7450 133023.9399 1007750.0720 1816659.2290 17869.2333 179067.3244 66074.9335 145798.6127 611325.3867 85651.3673 1251680.5280 7996.0946 13592.8834 51048.8349 1007042.2900 188655.9889 16498.7324 1307389.0490 58964.8998 814594.6178 20472.9376 62984.5318 2307.7148 26849.9196 49235.4801 5775.7095 713.9784 29407.8150 35151.1036 33789.3561 44825.6146 37096.9368 14874.4679 22491.7395 38914.0641 9721.8265 12169.6126 2019.7169 75391.8219 11782.8333 26422.4971 896.3991 14238.2469 17429.5123 5571.3597 649427.4486 50484.7351 3712.6831 39928.5308 9659.5248 29422.8865 32629.3188 8500.2430 17654.0385 34353.9726 29610.1993 13798.9059 39290.4604 16066.9732 41080.4076 5026.3281 26335.8908 37476.8341 37000.2295 28244.5361 170282.0068 5106.4101 46212.3249 25304.0717 55103.0080 37384.9343 27446.2162 312150.7891 3414.2864 2224.6396 20085.3432 60479.4198 452961.8902 155194.7031 315256.6461 5920.1422 190131.1214 916.9638 308346.8507 622157.3902 54788.4009 53987.8163 929997.4652 48067.1462 7276.0404 38610.8596 318134.2594 4735.4073 29999.0719 598559.7445 29458.5542 101601.7401 20330.9629 1682.4966 35576.3103 2832.2712 12264.5661 43161.2503 2482.8726 12332.7444 19893.4193 766.6098 15576.3577 8622.6362 51548.9027 23493.8122 Shikimic acid 13604.7471 11558.7726 9030.6900 16707.3052 63509.1564 25029.5274 83949.2445 29026.3124 56361.0474 6796.2969 41832.9795 13804.0020 15563.7678 270531.0846 6326.7790 932861.1337 14593.0313 13905.0965 27571.4575 62159.0285 6804.2702 51344.5614 58633.8293 44012.7554 58613.5300 20430.8164 23043.0439 10401.7220 15275.4907 21162.7887 29886.4090 33223.0084 11014.9532 10872.9543 18165.4935 16254.5713 41051.4623 15969.4603 12926.3276 9756.1775 5971.2811 10744.5726 16155.0048 9445.2147 14868.1950 16049.6418 30350.3259 38719.2875 43393.5787 19405.1686 155845.1346 12227.2873 1357974.6700 7901.6775 5314.4626 16232.3939 10632.1441 14932.9654 11306.4387 80772.5146 17269.6090 9696.8523 2413993.4720 37517.1382 13480.1481 10855.9924 18469.8209 7237.6009 1953048.9570 10164.4802 12009.2397 23399.6147 25658.5424 19912.4054 23182.0658 85080.0495 Stachyose 325646.7886 402810.0881 269968.0006 2194189.8890 1016051.4400 859832.5615 184590.2248 759794.1403 1192276.0550 982845.1717 68985.9409 694632.6872 550502.9442 713468.8582 1144889.3340 1300984.7360 274608.5939 1182455.9280 1705785.3650 689217.6207 870784.9064 786640.7225 914137.2354 64436.1441 198683.8760 1604426.7870 129443.3663 177720.6964 412945.7355 445746.8763 291859.9102 583147.2518 3376784.5240 881980.2038 425687.8181 1348226.5800 831058.1980 95331.6277 712129.2028 240511.4077 247013.4077 173840.9757 180840.1950 239309.2811 231291.3105 196562.7547 1693997.3180 339135.4713 55655.1549 783243.9100 89045.3301 406650.3814 236788.0071 179134.9674 273938.7152 1706751.1390 567993.9396 954689.4828 828426.4209 710575.0205 520749.6024 572320.5233 256834.4675 330766.1706 296176.6686 967746.3783 694484.8762 639082.5700 764613.1425 731222.9811 826856.6809 639350.4027 1740157.1450 765007.5405 264815.5883 290618.6257 524829.7480 1027179.0720 1788947.1780 425081.7504 789729.0313 674639.4147 514868.0454 341245.4907 398666.6851 735566.0193 400913.7180 1916629.2610 1491647.9120 1410787.9560 1143169.1970 282655.9744 726459.6823 151097.0864 231161.5757 632584.5631 929475.1042 233813.0488 1108207.8880 367611.1327 604784.8870 2096469.0970 367391.9630 839739.3062 153995.3679 234476.8314 518554.9374 768886.5095 1051375.9210 1207710.7150 397434.9290 1247285.9270 Suberic acid 31970.3784 108760.3867 163806.6624 60108.4586 82276.6917 17218.7726 22829.8305 16949.0122 17718.0868 62928.6264 36071.1247 36005.3541 4015.5393 12835.5193 55653.8319 61518.1396 52100.2570 12795.4700 19908.3232 83369.8653 6434.0117 9792.4810 18252.9897 7688.4226 8756.9246 3590.2944 7805.2270 12797.1072 7301.5513 23085.5516 83411.7474 13123.8304 13845.7326 3129.3065 19502.2188 7076.2527 8529.8439 17668.5981 18628.6708 2374.4751 13950.3203 17626.4814 10935.4774 25440.5909 8148.5446 16352.0762 42226.7691 15813.7253 10137.4853 23979.2559 24080.4921 26252.0810 24769.5479 32588.3866 14859.3288 44578.5354 45230.4863 32770.5134 18645.1332 28698.8848 27852.0563 5836.4485 14909.5950 44116.4885 38511.4765 21076.3002 25741.1481 12700.4568 2084255.3260 25659.5308 74204.3439 13562.0528 112748.3871 5189.9879 19555.5206 1033789.5720 42991.7578 63210.4712 26910.1284 646723.0462 41831.8925 19334.2765 22287.4742 6033.7866 9209.8399 14933.7125 7965.1103 17028.4122 226478.2101 5610.1489 10651.6269 35257.2523 8342.5851 8152.1548 29795.6555 31737.0527 39122.9005 20839.0599 45952.0085 6269.9808 7007.0628 2873.9893 26429.6174 11702.5207 7893.3079 10290.7445 29791.8617 19385.8436 26242.4186 20764.7813 13411.8441 17081.8672 Succinic acid 141710.7190 1943035.9120 37965.2969 383873.5250 220961.7349 6995.6723 597620.0484 221503.7799 63855.1007 138323.2453 887707.8949 185471.8972 908955.8760 91021.9415 88534.4345 312979.0460 31745.0527 452598.9166 598520.5512 716337.6177 81853.9008 396397.9416 443666.6724 91638.2115 53791.5541 207564.5779 192872.6178 85289.6525 75571.8262 104011.1896 141548.2035 116371.8036 217407.1512 517350.0677 88494.9201 258191.4119 464621.5917 160056.2451 123007.0936 155922.5624 123307.8321 23822.2452 154220.4951 238761.8789 172974.8870 119029.0044 57901.8392 217705.1012 116533.0894 126782.1585 110988.6261 118052.0603 472162.4552 322975.3793 729106.9549 5886.7353 316262.8723 234485.6109 182349.0398 145475.3959 596789.6333 206130.7747 261248.1215 317330.6676 211.5674 112199.6341 172758.9229 16320.6319 171140.0200 282657.6784 14172.8142 348791.2571 145380.1159 605884.9988 343480.8347 323765.2340 504492.1867 43392.2207 580689.8507 313196.2547 157452.0921 144154.1956 306324.5363 635328.1919 66944.1810 68285.0114 186698.9241 389717.4349 200204.7927 130264.4215 473308.5849 1669625.2680 264987.2498 147855.0515 61399.2151 174676.6409 87921.5672 359152.3154 87479.9999 314321.9682 96283.1636 111067.5566 169360.3417 85321.1429 117494.7489 60106.1463 242133.8738 Sucrose 186961.8259 2049861.9910 49394.6340 11123865.3400 1146158.3050 2946584.2080 447797.7586 712146.8837 8795592.4880 24276.8465 9190800.0690 50754.5713 4251895.8210 357510.5678 3610104.0120 9383113.3330 1440676.2250 24950272.3700 1846283.7300 7857776.3930 390618.9496 6297396.5380 2540644.1240 2260290.9650 2286533.9260 329031.9313 2498838.9970 317515.8328 215171.6161 1096077.3280 592244.6829 513402.7033 28732739.5600 976605.2411 2430770.6700 10502509.6700 491339.5125 364335.1384 2129390.4660 3813432.9410 1254730.7860 2467695.8000 1136666.4070 1062708.1290 915149.6401 727238.8101 13621801.0400 660524.4688 281846.1526 4536211.1590 204434.5947 8470433.6510 566165.0960 934946.3664 3152056.2990 628425.7505 6302271.8980 392914.2196 1331349.6350 8360237.8220 2538194.3270 4378565.1890 2602865.0350 494749.2828 10340783.5700 14857651.0900 1264839.5390 2342677.8460 31885.8200 5132752.0280 5823888.0760 1363290.8070 15535074.9000 8449224.6620 3685053.8410 923743.8670 6670205.3490 15942455.2100 21001602.2900 4271875.9230 5239040.7320 12476327.5900 9491925.6750 2295880.3970 3509251.3750 7403793.6110 2006845.7780 1055647.1850 4793777.8660 5595650.6150 3405582.7660 32838.6258 3683468.4860 2992965.4820 1290081.1880 56098.9319 3297766.6080 2294307.2060 2569144.6550 9005845.1490 2865000.6250 6024605.2310 1283637.5000 3617641.0840 2243870.0210 5301993.7070 4875951.6880 17202107.8200 1113682.4170 7670143.5390 1162865.1990 3651166.6820 Taurine 898194.9833 25243713.0000 637652.8690 1152877.6200 20471292.2900 11223228.8600 13931312.6400 4808167.8470 4951338.5480 3210170.5110 17201749.1100 1341137.2080 1224516.7520 14231375.5800 13364031.1300 699552.4721 15273615.3300 1485413.9840 31834457.1300 1316780.5910 11411388.3300 317929.0800 584255.7925 4644668.5200 429744.0599 5867207.6160 704521.3191 300610.5400 12845974.2700 3987417.5720 640210.5151 15569554.6000 3819260.2490 16138596.7600 715175.7536 809050.7212 1289018.7290 14009059.5300 1946908.3870 26115617.9900 13268765.0500 1191545.8590 1155060.6480 345314.1843 1528032.2310 18395836.4900 8755031.9220 847006.0690 5821839.0290 9094598.1690 4417118.8220 14943193.4000 7681782.2490 15636723.3300 1005331.1050 1295585.9500 593696.6392 17062439.3000 14158878.8000 3361527.7930 22039042.0600 1180962.9940 2890998.8630 20485136.1300 6330904.9930 3815235.2810 24027294.0500 5416669.0730 10962467.3400 12934238.9200 12270331.1700 1726960.2640 18524602.4300 17175938.8600 15423698.4900 331346.2733 4519080.4850 15543326.5000 21465235.9900 7600627.3450 12488361.7000 3098028.6410 11585919.0400 227338.9621 5149365.3100 20995801.5700 6514172.1380 853885.1026 2195112.1440 201760.8789 5930299.9790 2183103.6700 17011636.4600 2033940.1540 1932005.3440 31254175.1800 7470843.5860 3330523.0530 9911169.9210 5176026.1060 1455135.7090 16011492.7200 10324196.5100 13666693.6700 365316.4970 2881896.7480 436374.4520 11350732.0300 562698.5985 887733.7047 2829955.3040 4745667.9040 trans-Aconitate 150432.7267 4779.0858 129411.9063 170262.9663 266694.4879 76092.4929 82005.9600 16871.7562 256962.3807 227316.0524 210706.8380 169563.7368 49934.5219 48736.8922 136441.2455 260686.3080 35003.4748 21689.0381 303448.3377 38396.0648 27907.2790 10788.9778 172914.5959 25391.8607 141297.1300 61884.5195 33186.4467 14582.1375 90863.1860 30086.5933 73913.1653 47293.6248 37020.9645 20915.7846 56881.4903 71821.1838 66470.9953 13855.6434 11143.8977 171660.1350 59035.1646 26413.8099 24628.0434 16053.8873 67809.2818 32239.3145 18531.2385 2283.0261 18043.4020 14321.0239 94172.9112 291951.4289 273142.0514 85915.7361 99138.3718 1760.6381 91499.8257 22105.0969 61458.7937 9034.2614 291989.2748 43681.6289 191129.1537 20631.7606 54927.5200 227442.5832 151787.4492 54994.4466 89134.4703 1130.1843 93712.0832 150525.5721 111745.4142 23907.4659 68782.5448 18872.9900 27535.0757 58872.8572 19802.7590 193713.3274 45059.7527 38371.3312 195232.1092 28877.8005 103460.4384 4640.7359 146837.5566 188818.0252 193860.9321 12738.6552 8499.0390 319605.6571 203045.3198 69354.4257 83129.0934 96383.8552 143041.3368 56904.8516 7493.0578 69838.8053 125539.5593 5913.3636 26893.5799 58689.3285 50085.8982 122866.1878 91642.9510 8261.1777 4367.5369 26389.0012 52168.1628 92276.6352 Uric acid 14731946.1500 70974511.0700 21122771.0600 79997671.4800 23847349.2300 26373304.7600 33883211.1000 41140544.1300 22642668.3700 8556131.3740 31582989.7400 23001712.3300 32867348.9400 48129120.5500 57986475.7800 59165880.2100 49017016.9200 42049356.6500 19819438.0000 41208079.4500 68809105.4200 40848356.7500 20705751.2000 17574041.2700 73597329.6200 16363322.3900 31212971.0400 14333423.0900 10261422.8100 21658935.0300 19915677.7100 34643696.7800 18871798.3200 30105830.8700 40535831.0100 31751431.9200 27541718.2400 31832018.4900 3319628.5920 33514986.8100 38433150.5300 27092246.1700 11914143.3400 25769373.4000 32499843.1300 37040795.3400 79482333.0700 58440266.3200 23750560.9400 31788577.0100 35853730.3800 13114813.2700 42415242.6000 40224444.3800 46424225.5600 41512896.2300 44588006.7900 41158884.3400 42769565.0400 40530032.4100 26298835.3000 52397685.5700 403185.9597 59597547.9900 31085043.7300 34200258.5400 39011970.4000 10185560.3300 44952803.0100 32752572.2400 46166489.4800 41260156.1100 31311952.8600 56200102.5900 34313945.8900 21363553.7100 30239002.6900 47606934.8500 46309863.3900 91661130.6900 25890413.3700 21522195.4600 56341463.2300 18450577.3900 40332811.9400 5099185.6770 50736923.9800 24200333.8000 32811584.3100 76702566.6500 28651811.5100 25231659.0500 4367283.2090 26007786.0100 36926287.4300 32470431.7100 44568063.1500 45300617.3400 37875275.0400 39983161.7300 41104485.6100 8254377.8140 19457650.6000 36309552.0200 17649151.9900 37795143.1100 43529502.6400 5331486.9600 20558629.8400 43645234.8800 34725305.1100 31770355.6700 Uridine monophosphate (UMP) 6496.7334 30326.2533 3504.9928 10019.8640 18734.2927 3749.1808 1831.6649 12322.3285 14906.2482 24875.8110 21099.1080 14959.8445 713.3713 1871.8892 7751.9913 5366.2910 3222.7178 4396.7135 4995.1574 6064.1569 4912.7005 5984.1955 1467.5069 717.5153 1500.7086 11659.4342 552.0686 573.8087 3577.1526 10148.6449 3664.6485 4985.5055 6117.5221 7657.6421 2268.2352 2779.9009 2268.2599 1173.1415 4261.7899 701.9675 1803.6675 1839.5609 630.2034 1080.4322 301.6438 3344.1531 1964.8272 9758.6938 147.7964 17822.9849 627.6184 1168.5342 544.8885 845.7323 2380.0785 1193.2331 3434.1062 6573.8724 5967.1339 3989.9726 2464.6698 4824.7744 2959.2430 5284.5911 1337.2828 2834.2608 9044.3735 2658.8877 2352.0884 1625.3616 4130.6037 803.6290 1628.3035 3254.1411 1048.1160 535.5405 2918.4090 6511.1599 2391.0792 3473.4717 16314.5712 908.1598 2899.9971 465.7089 1464.9902 8278.1883 1173.9036 3103.9959 9621.0687 2280.6206 8791.0175 2741.9964 5827.1826 1038.7344 5807.2025 3660.5568 2275.6422 2173.2170 2139.5244 1287.7126 4954.8055 8513.4857 1656.5629 5608.8569 500.8741 789.5987 3170.0733 6242.7099 4228.3425 2435.3286 1087.4585 3361.4333 Urocanic acid 7650.1946 23493.1141 9581.4177 1696.7129 3048.8801 5178.5754 17476.3278 5621.5927 631.3961 7528.4580 3170.5363 6374.5587 13099.7665 9704.2852 4880.3824 7547.4643 20929.4671 17293.7860 6449.6485 15007.9360 3581.6610 7892.2387 10154.5954 7159.9261 10766.8198 3224.9195 10406.5421 17029.2069 24718.7395 2162.2768 13043.4339 3527.9568 9529.9677 15240.1177 17461.1401 13971.6885 18875.0026 12865.2863 11046.9053 4927.4068 11655.9190 12955.9983 10217.6832 10349.0130 17718.6730 11097.0402 10790.5818 7552.0915 10859.2458 10294.2039 21506.7746 23756.3358 17379.7296 15111.2974 10605.4360 8996.1708 14875.8483 15565.1550 12652.0515 10475.8971 15496.6797 25779.8437 28518.7654 10487.0285 26816.0921 4527.2961 7527.8700 15515.6784 3422.0135 3037.4117 2246.8876 4525.5166 10468.1017 13348.1488 6634.9037 10553.5107 11112.9440 13576.5491 4288.3113 22480.5635 7808.9608 10760.3587 1556.9939 7008.3057 7680.9090 36187.4751 7155.2438 9033.3629 8372.9108 5595.1297 5412.7836 18020.6593 10075.1527 7685.8423 18713.6802 17846.3328 7683.3373 15912.8004 6735.0126 30458.5467 3515.4782 1644.6333 3582.4656 12673.1003 8091.3009 13652.5315 19232.2962 8599.2002 23937.5550 10849.1302 6447.7804 8824.7604 Vanillylmandelic acid 45949.5476 33527.1130 37146.5630 91764.2853 86404.5288 15250.8680 99020.9890 35199.2164 322254.5650 27245.4637 44392.0955 30873.0770 52676.4801 135399.6641 41933.0040 67333.7207 76242.7779 35854.2601 42229.0734 99477.6497 105636.5146 37361.1247 130624.6801 52401.5914 50984.5672 64135.4615 59482.3273 100455.3264 120364.4624 110972.5580 24683.6500 64848.5538 128529.7026 132749.7941 41951.8773 54869.6689 94972.9940 52270.5084 142106.3042 53155.7711 24718.4558 61531.6999 20382.8806 30785.4847 48535.6531 25321.7704 85940.3584 124446.6441 8863.4413 63356.8062 28137.8046 53553.6851 46937.9203 45647.8182 54324.0538 30598.5453 185378.6881 62355.9024 103015.6072 27298.6351 52277.9953 46862.9560 58354.5450 69709.8587 159998.5751 46846.4714 142672.9586 22042.8237 3409.4291 127191.2098 73111.0090 34433.3315 43260.2035 150026.9827 27349.0502 26596.0943 100919.5731 49958.8809 67960.2506 22616.8519 38815.3106 16211.4970 42702.3263 57495.3029 21165.2561 53457.9670 69208.2318 25522.9002 37903.9492 107814.6516 117694.4343 121514.5220 40958.9140 50029.8449 19158.2604 24655.6691 41003.3355 40320.7477 23092.8669 75817.6065 43421.4176 4558714.7110 79225.6555 36021.1707 27190.6903 63239.9303 52413.2868 38562.3424 74107.8554 17878.9741 7788.1720 43080.7579 Xanthine 1275069.6980 3893826.3500 578484.3157 3423955.2450 114629.9982 252590.6178 1407708.2810 1008817.3780 283094.0337 375476.5152 929009.4820 253865.6825 658231.3833 1105541.3680 1393070.0840 1094219.0720 758795.8186 1002994.7180 1004483.4540 975475.9818 3473282.6950 830233.1412 547010.7003 427700.8972 2328154.8530 117722.1442 695287.1180 304217.1109 137071.9346 363947.8404 159325.5894 910781.6978 194200.9923 457322.0396 744793.5598 392422.0502 505776.2134 302404.4798 181319.2675 187187.1375 433825.7312 476115.1837 206870.1145 258983.0892 513418.8703 1372052.3600 2599395.9190 605439.2637 266446.0172 241478.6827 523640.6736 172784.8717 453482.0485 421615.0307 742517.8913 1788949.3100 233156.4242 299041.0407 828076.5333 435715.2089 792703.2983 651936.0157 8466792.9190 1240916.0830 392628.6509 376951.9117 568196.6767 742388.9361 1559216.2780 212237.1353 850854.0546 641801.7174 1187660.2980 1073788.2530 814525.0496 241437.9342 754675.9171 1191938.7310 877634.7797 3464706.7190 2067924.4520 264287.2598 1241382.9670 270130.7203 1608430.9500 331874.9916 861594.3475 857356.2150 1585153.2100 3091856.1340 4631017.7730 879668.0387 663580.8051 179461.2425 3401379.2270 662628.7121 7202306.0970 499121.5913 324474.2797 378001.3141 1259785.9140 232248.9785 396214.1879 253353.9463 176967.0863 458214.0551 612242.0149 534662.5922 139153.7594 341338.9710 830283.8612 1953552.0770 Xanthosine 190500.5623 4870.1132 62402.3625 365556.5628 129535.6374 47486.4706 26008.1165 102642.9704 146842.6381 358709.4708 4651.8021 58952.3031 34582.1098 55820.0464 44085.8602 299827.6339 46490.6056 31831.3667 39071.5017 56640.7609 213498.9355 60478.7368 85799.3506 18823.4597 57936.3817 133178.4357 60252.4431 10706.4563 86715.5229 71177.1856 27711.8427 265368.3062 126210.0672 59306.6779 28409.8086 67481.7486 20556.0994 9808.4940 46096.5935 85642.1404 20990.2493 62220.0903 20972.3701 14036.6087 44655.4861 69415.9325 179551.0523 87552.2547 11790.5279 83016.7963 25631.7260 21597.2328 31644.7691 24591.0252 42634.5943 71980.3447 11033.5958 42235.5874 70041.4330 32022.6581 30267.9667 119768.9482 235838.3434 115651.7909 18886.3586 97790.8087 113680.9719 31624.1683 71063.1729 46569.6767 35173.6683 70915.8821 45168.9916 50716.9493 41237.1753 22127.9742 7462.2390 57824.3995 69563.2722 110559.3477 104587.7385 15268.9767 46398.5979 16548.4294 87499.5808 68080.6808 58243.6784 62804.9886 12356.4494 195079.4424 372927.4079 100622.0801 50063.0766 9367.5714 62293.8266 82535.2621 98016.9868 20589.9150 27950.2965 25070.5046 69991.7808 83159.8911 31055.7926 20824.1891 20758.1459 34537.9034 26745.9379 70974.4652 62572.9206 27591.8116 9262.1445 48451.4049 Xanthurenic acid 279212.4919 75600.3756 127316.0062 37856.7799 44869.4199 17596.7832 41686.7894 64284.4378 105987.7591 42401.7954 92146.3269 19314.1098 59188.6548 16876.8402 89052.4487 143153.2854 99679.8727 27436.3169 37203.5670 74672.9653 51490.3503 35734.5062 52410.2517 7028.5430 32134.1958 16626.5434 12565.9527 6486.6245 46335.2631 31736.3315 90330.1843 61949.2728 88126.8591 28602.5092 20099.7363 34679.8499 34716.5710 10148.6393 9874.7300 86507.9084 12729.6489 20333.4120 23187.5318 25928.6579 22790.7148 20989.1488 60645.0682 18685.4001 13680.5468 13706.0461 28979.6826 23082.5466 27248.5710 15273.4624 16073.5378 75756.2725 41971.1712 16104.4365 26837.7654 14817.5182 37692.0908 52938.0339 18458.4758 16429.1403 44173.5577 41339.0854 143358.6580 27327.8872 15305.2133 35763.9570 36189.4878 50164.2256 39672.6908 64609.1659 71086.5642 3553.3626 22984.6275 18630.7737 22266.8402 25542.8530 41531.1496 5286.8966 9742.2294 14900.9251 146650.0901 53329.5045 45267.3452 192503.2339 123449.3745 47577.4356 106164.5941 94907.4085 37383.9564 3789.1231 38411.0329 34382.7628 46151.0515 48018.1373 59045.4298 19114.5673 31240.3452 17122.5701 38046.8461 79074.3920 19623.0862 23959.4164 9304.1335 17954.7534 44889.9449 23662.0044 14194.0727 33292.1358 Xylitol 1713498.6970 1613628.6030 1471473.9200 4246115.9790 1957030.8480 1076242.0140 1096779.1190 1198525.3090 1594215.2740 3447743.1110 1308217.5980 2046839.5540 702866.6045 1020369.1060 1989116.3910 1168359.3660 1620797.5990 793833.1438 1468701.8580 1512242.0320 2102699.3690 1134964.0160 1054632.8160 612914.1284 490388.0303 1791422.3720 1161229.2770 261787.8920 1236221.8930 1843179.8940 1158910.5090 1103527.6530 1587950.7330 1101649.4660 1066916.2920 886841.6595 469100.7172 338134.5440 2313942.8500 1649265.1680 647101.5039 1299841.1770 368081.5932 330651.7983 759334.6214 1118071.3630 964101.1908 1409311.8210 264460.4363 2180447.6820 429557.6462 1379029.5410 592493.3808 754047.5920 552252.4419 1073456.4640 810744.0427 1298786.6110 859276.4395 1310620.9430 2143469.4810 1147143.0330 812985.4902 1683828.0050 921036.6845 1048930.5930 1926965.5400 2156295.3480 1522166.9620 752851.4881 1733770.4500 808293.9906 1166138.9300 1336669.9150 908989.7842 577529.6048 1326419.2110 1269288.4970 1334726.0830 1564068.3810 1860179.3770 434244.1232 2111393.0640 647284.1597 864141.2384 2584954.7850 1215368.9190 1922595.7640 1446879.4120 1139394.0310 2573363.9840 806654.8795 1644348.2840 231747.8006 1167509.5910 824216.4865 1163094.0850 466791.8418 560720.5927 878423.3574 1448513.8980 2520112.1500 1156515.7780 1713395.4890 578864.8151 749116.4686 1213569.2020 2216011.7200 2184547.7220 1212476.8800 1590055.6240 984713.0032 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 10-hydroxy capric acid C02774 1.68 1,2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHOETHANOLAMINE 4.3 12-Hydroxydodecanoic acid C08317 1.68 1-Hydroxy-2-naphthoic acid C03203 1.75 1-Methyladenosine C02494 6.1 2',3'-Cyclic CMP C02354 8.06 2,3-Dihydroxybenzoic acid C00196 1.8 2-Aminophenol C01987 1.78 2-hydroxy-4- (methylthio) butyric acid 1.76 2-hydroxy-butanoic acid C05984 2.44 2-Hydroxyphenylacetic acid C05852 1.69 2-hydroxypyridine 5.57 2-METHYLMALEATE 3.95 3-Amino-4-hydroxybenzoic acid C12115 1.78 3-Dehydroshikimic acid C02637 4.07 3-hydroxy-3-methyl-Glutaric acid C03761 3.77 3-Hydroxyanthranilic acid C00632 1.6 3-Hydroxybenzaldehyde C03067 1.57 3-Methyl-2-oxovaleric acid C00671 1.66 3-Methylglutaric acid 1.86 3-Methyloxindole C02366 1.75 4-acetamidobutanoate C02946 3.67 4-Hydroxy-L-proline C01015 6.87 4-Hydroxyphenyllactic acid 1.67 4-Methylcatechol C06730 1.76 5,6-Dimethylbenzimidazole C03114 1.76 5'-CMP C00055 8.76 5-Hydroxyindoleacetic acid C05635 1.64 5-Hydroxytryptophan C00643 6.44 6-Hydroxynicotinic acid C01020 4.35 6-Methylmercaptopurine C16614 1.83 Aceturic acid 3.82 Acetyl-L-Leucine 1.87 Acetyllysine C12989 6.12 Adenosine5'-monophosphate C00020 8.57 a-D-Galactose 1-phosphate C00446 9.71 a-D-Glucose C00267 6.65 Allantoin C01551 5.4 ?-Aminobutryic acid C00334 5.36 a-N-Acetylglucosamine C02711 6.18 Caffeic Acid C01481 1.77 cAMP C00575 7.81 cGMP C00942 8.35 Chenodeoxycholic Acid C02528 1.82 Citramalic acid C00815 4.15 Cortisone C00762 1.75 Creatinine C00791 5.12 Cysteic acid C00506 8.29 Deoxyadenosine C00559 5 Deoxyguanosine C00330 5.94 D-Glucosamine 6-phosphate C00352 9.34 D-Glucuronic acid C00191 6.67 DL-3,4-Dihydroxymandelic acid C05580 4.18 DL-3,4-Dihydroxyphenyl glycol C05576 4.13 D-(+)-Malic acid C00497 4.4 D-Mannitol C00392 6.35 D-(+)-Mannose C00159 6.48 D-Mannose 6-phosphate C00275 9.4 Dopamine C03758 5.11 (-)-Epinephrine C00788 5.4 Folic acid C00504 6.03 Gluconic acid C00257 6.62 Glutamine C00064 7.12 Glutathione C00051 6.97 Glyceric acid C00258 4.1 Glycocholic Acid C01921 4.42 Guanidinosuccinic Acid C03139 6.43 Guanosine C00387 6.46 Gulonolactone C01040 4.74 Homocystine C01817 8.16 Homogentisic acid C00544 1.74 Hydroxylysine C01211 8.16 Indoxylsulfuric acid 4.14 Inosine C00294 5.6 Kynurenic acid C01717 4.9 L-2-Aminoadipic acid C00956 6.63 Lactose C00243 7.87 L-Asparagine C00152 7.34 L-Aspartic Acid C00049 7.14 L-Cystathionine C02291 8.69 L-Cystine C00491 8.87 L-Glutamate C00025 6.83 L-Isoleucine C00407 5.65 L-Lysine C00047 8.25 L-Methionine sulfoximine C03510 7.73 L-Phenylalanine C00079 5.81 L-Threonine C00188 6.8 Lumazine 4.1 Lumichrome C01727 1.75 Maleic acid C01384 4.33 Melibiose C05402 8.45 Methylmalonic acid C02170 3.68 Methyl N-(a-methylbutyryl)glycine C08261 1.74 myo-Inositol C00137 8.27 N6-(DELTA2-ISOPENTENYL)-ADENINE 1.75 N-acetylaspartate C01042 4.48 N-Acetyl-DL-serine 4.18 N-Acetyl-L-alanine C00624 3.31 N-Acetyl-L-glutamic acid C00624 4.32 N-Acetyl-L-phenylalanine 1.83 N-Acetyl-ß-D-mannosamine 6.1 N-ALPHA-ACETYL-L-ASPARAGINE 4.74 Nitrotyrosine 6 N-Methyl-L-glutamate C01046 6.53 Oxoadipic acid C00322 3.66 Palatinose C01742 7.8 Pantothenic Acid C00864 4.05 p-Coumaric acid C00811 1.85 Phenylpyruvic acid C00166 1.68 Pimelic acid C02656 1.81 Pyridoxal (Vitamin B6) C00250 4.07 Pyrocatechol C00090 1.67 Pyroglutamic acid C01879 4.03 Quinic acid C00296 5.88 Raffinose C00492 8.77 Resorcinol monoacetate C12064 1.49 Riboflavin (Vitamin B2) C00255 5.66 Rosmarinic Acid C01850 4.06 S-Adenosylhomocysteine C00021 7.7 Salicylic acid C00805 1.74 salsolinol C09642 4.51 Sarcosine C00213 6.4 Shikimic acid C00493 5.01 Stachyose C01613 9.29 Suberic acid C08278 1.85 Succinic acid C00042 3.52 Sucrose C00089 7.45 Taurine C00245 6.72 trans-Aconitate C02341 4.46 Uric acid C00366 6.58 Uridine monophosphate (UMP) C00105 9.08 Urocanic acid C00785 4.8 Vanillylmandelic acid C05584 3.47 Xanthine C00385 5.36 Xanthosine C01762 5.88 Xanthurenic acid C02470 5.11 Xylitol C00379 5.61 METABOLITES_END #END