#METABOLOMICS WORKBENCH oma_20230629_095620 DATATRACK_ID:4129 STUDY_ID:ST002818 ANALYSIS_ID:AN004589 PROJECT_ID:PR001762 VERSION 1 CREATED_ON August 17, 2023, 7:10 pm #PROJECT PR:PROJECT_TITLE Improving kidney function assessment in health and disease PR:PROJECT_SUMMARY Use results from a global metabolomics platform with existing measured GFR PR:PROJECT_SUMMARY assessments to identify a set of markers from which to develop a highly accurate PR:PROJECT_SUMMARY targeted mass spectrometry multiplex assay PR:INSTITUTE Tufts Medical Center PR:DEPARTMENT Nephrology PR:LABORATORY Metabolon; University of Minnesota PR:LAST_NAME Inker PR:FIRST_NAME Lesley PR:ADDRESS 800 Washington Street, Boston, Massachusetts, 02111, USA PR:EMAIL Lesley.Inker@tuftsmedicine.org PR:PHONE 6176368783 PR:FUNDING_SOURCE NIDDK #STUDY ST:STUDY_TITLE Evaluation of Novel Candidate Filtration Markers from a Global Metabolomics ST:STUDY_TITLE Discovery for Glomerular Filtration Rate Estimation (ALTOLD) ST:STUDY_SUMMARY Background: Creatinine and cystatin-C are recommended for estimating glomerular ST:STUDY_SUMMARY filtration rate (eGFR) but accuracy is suboptimal. Using untargeted metabolomics ST:STUDY_SUMMARY data, we sought to identify candidate filtration markers using a novel approach ST:STUDY_SUMMARY based on their maximal joint association with measured GFR (mGFR) with ST:STUDY_SUMMARY flexibility to consider their biological and chemical properties later. Methods: ST:STUDY_SUMMARY We analyzed metabolites measured in seven diverse studies of 2,851 participants ST:STUDY_SUMMARY on the Metabolon H4 platform that had Pearson correlations with log mGFR <-0.5. ST:STUDY_SUMMARY We used a stepwise approach to develop models to estimate mGFR including two to ST:STUDY_SUMMARY 15 metabolites with and without inclusion of creatinine and demographics. We ST:STUDY_SUMMARY then selected candidate filtration markers from those metabolites found >20% in ST:STUDY_SUMMARY models that did not demonstrate substantial overfitting in cross-validation and ST:STUDY_SUMMARY with small (<0.1 in absolute value) coefficients for demographics. Results: In ST:STUDY_SUMMARY total, 456 named metabolites were present in all studies, and 36 had ST:STUDY_SUMMARY correlations <-0.5 with mGFR. We developed 2,225 models including these ST:STUDY_SUMMARY metabolites; all had lower RMSEs and smaller coefficients for demographic ST:STUDY_SUMMARY variables compared to estimates using untargeted creatinine. Cross-validated ST:STUDY_SUMMARY RMSEs (0.187-0.213) were similar to original RMSEs for models with ≤ 10 ST:STUDY_SUMMARY metabolites. Our criteria identified 17 metabolites, including 12 new candidate ST:STUDY_SUMMARY filtration markers. Conclusion: We identified candidate metabolites with maximal ST:STUDY_SUMMARY joint association with mGFR and minimal association with demographic variables ST:STUDY_SUMMARY across varied clinical settings. Future analyses will assess metabolite ST:STUDY_SUMMARY biological and chemical characteristics in the path towards development of a ST:STUDY_SUMMARY panel eGFR that is more accurate and less reliant on demographic variables than ST:STUDY_SUMMARY current eGFR. ACRONYMS AASKG1: African American Study of Kidney (patient data at ST:STUDY_SUMMARY G1 visit). ALTOLD: Assessing Long Term Outcomes in Living Kidney Donors study. ST:STUDY_SUMMARY MDRD: The Modification of Diet in Renal Disease study. ST:INSTITUTE Tufts Medical Center ST:DEPARTMENT Nephrology ST:LAST_NAME Inker ST:FIRST_NAME Lesley ST:ADDRESS 800 Washington Street ST:EMAIL Lesley.Inker@tuftsmedicine.org ST:PHONE 6176368783 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 18 and older SU:GENDER Male and female #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 6568502 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568503 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568504 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568505 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568506 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568507 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568508 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568509 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568510 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568511 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568512 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 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6568778 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568779 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568780 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568781 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568782 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568783 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568784 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568785 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568786 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568787 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568788 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568789 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568790 study:ALTOLD SUBJECT_SAMPLE_FACTORS - 6568791 study:ALTOLD #COLLECTION CO:COLLECTION_SUMMARY samples were obtained from NIDDK repository CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY Samples were prepared using the automated MicroLab STAR® system from Hamilton TR:TREATMENT_SUMMARY Company. Several recovery standards were added prior to the first step in the TR:TREATMENT_SUMMARY extraction process for QC purposes. To remove protein, dissociate small TR:TREATMENT_SUMMARY molecules bound to protein or trapped in the precipitated protein matrix, and to TR:TREATMENT_SUMMARY recover chemically diverse metabolites, proteins were precipitated with methanol TR:TREATMENT_SUMMARY under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by TR:TREATMENT_SUMMARY centrifugation. The resulting extract was divided into five fractions: two for TR:TREATMENT_SUMMARY analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion TR:TREATMENT_SUMMARY mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with TR:TREATMENT_SUMMARY negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion TR:TREATMENT_SUMMARY mode ESI, and one sample was reserved for backup. Samples were placed briefly on TR:TREATMENT_SUMMARY a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were TR:TREATMENT_SUMMARY stored overnight under nitrogen before preparation for analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY All methods utilized a Waters ACQUITY ultra-performance liquid chromatography SP:SAMPLEPREP_SUMMARY (UPLC) and a Thermo Scientific Q-Exactive high resolution/accurate mass SP:SAMPLEPREP_SUMMARY spectrometer interfaced with a heated electrospray ionization (HESI-II) source SP:SAMPLEPREP_SUMMARY and Orbitrap mass analyzer operated at 35,000 mass resolution. The sample SP:SAMPLEPREP_SUMMARY extract was dried then reconstituted in solvents compatible to each of the four SP:SAMPLEPREP_SUMMARY methods. Each reconstitution solvent contained a series of standards at fixed SP:SAMPLEPREP_SUMMARY concentrations to ensure injection and chromatographic consistency. One aliquot SP:SAMPLEPREP_SUMMARY was analyzed using acidic positive ion conditions, chromatographically optimized SP:SAMPLEPREP_SUMMARY for more hydrophilic compounds. In this method, the extract was gradient eluted SP:SAMPLEPREP_SUMMARY from a C18 column (Waters UPLC BEH C18-2.1x100 mm, 1.7 µm) using water and SP:SAMPLEPREP_SUMMARY methanol, containing 0.05% perfluoropentanoic acid (PFPA) and 0.1% formic acid SP:SAMPLEPREP_SUMMARY (FA). Another aliquot was also analyzed using acidic positive ion conditions, SP:SAMPLEPREP_SUMMARY however it was chromatographically optimized for more hydrophobic compounds. In SP:SAMPLEPREP_SUMMARY this method, the extract was gradient eluted from the same afore mentioned C18 SP:SAMPLEPREP_SUMMARY column using methanol, acetonitrile, water, 0.05% PFPA and 0.01% FA and was SP:SAMPLEPREP_SUMMARY operated at an overall higher organic content. Another aliquot was analyzed SP:SAMPLEPREP_SUMMARY using basic negative ion optimized conditions using a separate dedicated C18 SP:SAMPLEPREP_SUMMARY column. The basic extracts were gradient eluted from the column using methanol SP:SAMPLEPREP_SUMMARY and water, however with 6.5mM Ammonium Bicarbonate at pH 8. The fourth aliquot SP:SAMPLEPREP_SUMMARY was analyzed via negative ionization following elution from a HILIC column SP:SAMPLEPREP_SUMMARY (Waters UPLC BEH Amide 2.1x150 mm, 1.7 µm) using a gradient consisting of water SP:SAMPLEPREP_SUMMARY and acetonitrile with 10mM Ammonium Formate, pH 10.8. The MS analysis alternated SP:SAMPLEPREP_SUMMARY between MS and data-dependent MSn scans using dynamic exclusion. The scan range SP:SAMPLEPREP_SUMMARY varied slighted between methods but covered 70-1000 m/z. Raw data files are SP:SAMPLEPREP_SUMMARY archived and extracted as described below #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY HILIC (LC/MS Polar Neg) CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um) CH:SOLVENT_A - CH:SOLVENT_B - CH:FLOW_GRADIENT - CH:FLOW_RATE - CH:COLUMN_TEMPERATURE - #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE NEGATIVE MS:MS_COMMENTS Metabolon (LC/MS Polar) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS raw area counts rescaled to set the median equal to 1 MS_METABOLITE_DATA_START Samples 6568502 6568503 6568504 6568505 6568506 6568507 6568508 6568509 6568510 6568511 6568512 6568513 6568514 6568515 6568516 6568517 6568518 6568519 6568520 6568521 6568522 6568523 6568524 6568525 6568526 6568527 6568528 6568529 6568530 6568531 6568532 6568533 6568534 6568535 6568536 6568537 6568538 6568539 6568540 6568541 6568542 6568543 6568544 6568545 6568546 6568547 6568548 6568549 6568550 6568551 6568552 6568553 6568554 6568555 6568556 6568557 6568558 6568559 6568560 6568561 6568562 6568563 6568564 6568565 6568566 6568567 6568568 6568569 6568570 6568571 6568572 6568573 6568574 6568575 6568576 6568577 6568578 6568579 6568580 6568581 6568582 6568583 6568584 6568585 6568586 6568587 6568588 6568589 6568590 6568591 6568592 6568593 6568594 6568595 6568596 6568597 6568598 6568599 6568600 6568601 6568602 6568603 6568604 6568605 6568606 6568607 6568608 6568609 6568610 6568611 6568612 6568613 6568614 6568615 6568616 6568617 6568618 6568619 6568620 6568621 6568622 6568623 6568624 6568625 6568626 6568627 6568628 6568629 6568630 6568631 6568632 6568633 6568634 6568635 6568636 6568637 6568638 6568639 6568640 6568641 6568642 6568643 6568644 6568645 6568646 6568647 6568648 6568649 6568650 6568651 6568652 6568653 6568654 6568655 6568656 6568657 6568658 6568659 6568660 6568661 6568662 6568663 6568664 6568665 6568666 6568667 6568668 6568669 6568670 6568671 6568672 6568673 6568674 6568675 6568676 6568677 6568678 6568679 6568680 6568681 6568682 6568683 6568684 6568685 6568686 6568687 6568688 6568689 6568690 6568691 6568692 6568693 6568694 6568695 6568696 6568697 6568698 6568699 6568700 6568701 6568702 6568703 6568704 6568705 6568706 6568707 6568708 6568709 6568710 6568711 6568712 6568713 6568714 6568715 6568716 6568718 6568719 6568720 6568721 6568722 6568723 6568724 6568725 6568726 6568727 6568728 6568729 6568730 6568731 6568732 6568733 6568734 6568735 6568736 6568737 6568738 6568739 6568740 6568741 6568742 6568743 6568744 6568745 6568746 6568747 6568748 6568749 6568750 6568751 6568752 6568753 6568754 6568755 6568756 6568757 6568758 6568759 6568760 6568761 6568762 6568763 6568764 6568765 6568766 6568767 6568768 6568769 6568770 6568771 6568772 6568773 6568774 6568775 6568776 6568777 6568778 6568779 6568780 6568781 6568782 6568783 6568784 6568785 6568786 6568787 6568788 6568789 6568790 6568791 Factors study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD study:ALTOLD 2,2'-Methylenebis(6-tert-butyl-p-cresol) 0.0012 1.5354 0.0012 1.3218 0.0012 0.0012 1.1036 0.8178 0.7015 1.4335 0.0012 0.0012 0.716 0.0012 0.0012 0.0012 0.0012 1.0417 0.8022 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 1.1768 1.6693 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.6948 0.0012 0.0012 0.8616 1.044 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.0036 0.0012 0.0012 0.0123 0.0012 0.0012 0.0012 0.0012 0.0012 0.9215 1.1689 0.9336 0.7124 0.0012 0.0012 1.7987 0.7951 1.1141 1.709 1.3392 0.8945 1.4199 1.461 0.6067 1.2817 0.9018 1.2068 1.1646 0.769 0.7766 0.6123 1.6021 1.3863 0.7122 2.0115 1.4124 0.916 0.9227 0.8898 1.0435 1.5146 1.2052 0.8301 0.7393 1.1095 1.3746 1.2199 0.9961 1.083 0.9986 0.7913 0.9037 0.9728 1.1622 0.8282 1.2518 0.9516 0.8859 1.0781 0.5622 1.2416 0.6868 1.2713 0.0012 0.0012 0.0012 0.7445 0.9959 1.2315 0.6418 0.9505 0.0018 0.954 1.1266 0.6816 1.3905 1.3365 0.5984 0.0012 0.0012 0.7589 0.9871 0.9722 0.8244 1.6883 1.0401 1.8292 0.8673 1.7773 0.8968 0.8054 1.017 1.2805 0.8441 1.4592 0.8814 1.2376 1.177 1.4437 1.437 0.9333 1.5069 0.722 1.6234 1.2634 1.5992 1.017 2.5936 1.0404 0.8965 0.7107 0.6933 1 1.2892 1.1127 0.7599 1.2151 0.8081 0.5412 0.763 0.983 1.2441 0.8259 1.2597 1.4355 0.9908 1.1215 0.9318 1.1641 1.1423 1.3679 0.6857 0.0012 0.0012 0.0012 0.0012 0.0012 0.0012 0.4288 1.0014 2,3-dihydroxyisovalerate 0.5717 0.3127 7.6482 7.4303 7.8651 1.449 0.8736 2.4568 17.267 0.4872 21.4764 4.3519 8.8975 1.3498 0.1498 0.6356 0.4634 1.3999 0.6891 0.2549 0.2041 0.298 0.1261 0.2248 0.7499 0.7008 0.2094 1.6432 1.4981 20.6668 0.3206 48.616 17.7367 0.6192 0.4829 2.3382 0.3549 2.8822 0.3916 19.5748 10.3549 0.7594 0.3311 1.6336 0.4406 2.1264 0.2067 0.5306 0.2661 0.1956 0.1027 1.2677 0.0783 6.3097 6.2436 0.7203 0.6067 3.2222 0.9918 0.9884 2.5451 7.655 6.7277 2.0202 0.2219 1.6016 0.6988 9.2739 1.1811 4.5414 0.4053 6.6128 0.2663 1.2359 0.7546 1.3888 10.7089 0.6971 0.1822 0.4695 0.4214 0.4864 0.3218 0.676 0.4025 9.2611 0.1153 6.0333 7.415 3.0219 0.9122 5.4145 0.2353 0.9248 3.3573 0.4767 3.3248 2.1457 1.6259 1.5017 0.7265 3.5561 2.302 0.6901 1.3297 0.247 32.6135 18.1475 0.5041 0.7073 1.5345 0.3932 0.3618 0.1295 4.9762 0.5854 0.689 1.1762 0.4127 0.4713 1.9849 0.7601 4.7776 1.6276 2.1623 0.0783 0.6596 0.1399 0.633 0.2366 1.7895 1.1979 0.5045 0.2069 1.108 0.1402 1.4562 0.2137 0.7835 0.4837 0.358 1.1031 1.8419 0.8207 0.2665 1.632 1.3585 1.6013 0.4722 2.327 2.6681 0.9954 1.3807 1.6235 19.3858 0.0783 1.45 0.4745 10.492 0.8738 2.6623 0.7133 53.7946 4.6173 0.0783 0.0783 5.3753 0.7081 1.0175 0.4139 0.193 2.7259 1.1901 12.5041 1.7512 0.97 31.8506 6.8409 1.2292 1.7665 2.3665 0.179 0.6554 0.2876 0.2945 0.6861 0.921 3.9756 1.2495 0.2093 0.4311 13.043 0.6956 2.6683 0.4512 2.6918 8.2396 13.6926 7.7032 29.2852 0.9114 0.0854 0.6347 0.1236 0.0783 0.0783 0.5269 0.5405 0.5093 0.775 13.4107 0.764 0.3475 0.0783 0.2889 5.7008 1.0046 3.1939 0.1359 1.4218 0.8099 1 0.1748 0.1786 0.3808 1.9405 1.281 1.7502 0.2202 0.3867 0.4298 2.607 0.2194 23.1904 8.8992 0.1556 1.476 0.2813 6.292 1.2991 1.1344 0.5325 46.4399 0.4077 14.4362 2.0246 0.3078 1.0605 0.4633 0.8 0.5625 2.4333 2.574 2.2626 0.4334 0.5311 0.6984 0.4613 0.6143 39.4337 13.4628 2.4763 1.6985 0.5919 5.1053 5.6175 0.4452 4.8234 10.8522 2.0613 0.4063 4.123 0.6072 23.8757 1.3466 0.8456 0.1332 3.5442 1.2888 0.3368 8.9843 0.5541 2.3031 0.0783 1.7337 1.6788 1.6049 0.4983 0.4489 2-hydroxy-4-(methylthio)butanoic acid 1.601 0.8779 0.843 0.5061 1.4922 1.3672 1.7724 2.4347 1.1662 0.9485 0.722 0.5553 0.6197 2.5399 2.8569 0.8484 0.3622 2.7019 1.7345 1.7705 1.0666 1.083 0.5278 0.6702 0.8895 0.8229 0.6487 1.3114 0.5073 1.8862 0.856 0.4408 0.8052 1.0073 0.5305 0.7351 0.4811 0.8991 0.4423 2.267 2.0608 2.1373 1.6783 0.9935 1.0851 1.5233 0.8029 1.1564 0.8787 0.8283 0.8364 1.3172 1.2906 1.141 0.7288 1.3756 0.9376 1.4003 0.956 2.2504 2.491 1.6532 1.3207 1.804 1.1324 1.6346 1.0744 1.3431 1.115 1.0709 0.3511 2.1226 1.4712 0.303 0.4643 0.6981 0.5755 0.9642 0.7779 0.8668 1.1379 1.1953 1.0232 0.8222 1.0996 0.4688 0.8287 1.7505 1.5812 0.6562 0.567 1.33 1.1597 1.5017 2.4012 2.2455 0.7575 1.5981 1.6136 0.8855 0.5348 1.1088 1.0643 0.5396 1.6526 1.1923 1.8837 2.7652 0.6346 0.4405 1.8574 2.1031 1.0039 0.756 0.8406 0.8652 5.0858 4.2712 1.5906 1.7141 0.9812 0.6331 0.933 0.8447 0.935 0.6691 0.8649 0.8749 0.4274 0.2982 0.8109 0.5642 0.9895 0.4566 1.2506 1.124 1.463 1.346 0.8876 0.739 0.5512 1.1308 1.138 0.5908 0.4983 1.817 1.7205 0.3545 0.2029 0.7439 0.6803 1.204 2.1656 1.2136 1.3318 0.7381 2.1555 0.8766 1.4173 1.5262 0.5879 0.2452 1 0.6956 0.9532 0.9536 1.8292 2.189 1.7798 0.9485 1.3413 1.0503 1 1.0242 0.8601 0.6244 0.9236 0.7819 1.3175 0.8248 2.0305 1.6926 2.7829 0.5 0.2764 0.9497 0.8874 2.2969 1.9486 1.0149 1.0845 1.6817 0.7142 0.8548 0.621 1.1957 1.6504 1.6723 1.3809 1.3113 0.9093 0.508 0.9557 0.7005 1.0681 0.7248 2.9717 1.1663 0.8913 1.6305 0.9257 1.5732 0.3098 0.2029 1.0778 1.9102 1.0894 0.9192 0.947 0.585 0.6518 0.7385 0.4198 1.5972 1.15 1.0582 0.5751 1.0939 1.0023 1.4435 0.6699 1.5306 1.3361 0.8236 0.7751 0.7822 0.8695 1.0453 1.1236 0.7094 0.9913 0.9483 1.3769 1.2381 0.8669 1.1086 0.5852 0.7267 0.4463 1.8118 1.8338 0.6858 0.7255 1.4511 1.2811 0.3913 0.3553 0.8867 1.0392 0.5408 0.4456 1.4643 0.5329 0.3408 0.9961 0.5674 0.7478 1.1814 1.2049 1.3368 0.7818 2.3055 1.8876 0.5991 0.5467 0.5965 0.4929 1.4445 2.2595 1.0736 0.5399 1.2159 0.9199 1.2937 0.7327 1.9771 1.4061 1.7933 3.4501 2-hydroxybutyrate/2-hydroxyisobutyrate 0.6985 1.4224 0.9642 1.2859 1.7149 1.1728 1.2407 0.6307 1.0694 0.9618 0.804 1.0628 1.1085 1.4957 1.6308 0.7873 1.7073 1.0004 1.0492 0.5283 1.596 1.3275 1.4852 0.9524 0.9202 1.1032 1.9162 0.6777 0.6996 2.6168 2.3849 1.4749 1.4948 0.878 1.0535 0.973 0.7213 1.1189 1.8017 1.7295 1.0179 0.9485 0.7025 0.5657 0.622 1.2483 2.0912 1.3909 1.3493 0.9335 0.9216 0.9199 1.3959 1.078 1.6623 1.237 0.7668 1.072 0.9225 0.9369 0.9066 0.8909 0.7928 0.7539 1.0019 0.9586 0.6434 0.721 2.6195 1.098 1.445 1.34 1.6568 0.5313 1.0029 0.7465 0.5846 0.726 1.8446 1.1686 1.1426 0.912 1.1861 0.5372 1 0.6025 1.4709 0.6289 1.1075 0.6246 1.2103 0.9024 0.785 0.7912 2.1575 1.0668 0.6122 2.8308 0.773 1.3725 0.9918 0.4522 0.8325 0.9244 0.9002 2.2256 1.0584 1.0725 1.1004 0.8348 0.931 1.2138 2.6467 1.2959 0.7701 0.8179 0.9102 1.6005 0.662 1.1398 0.6934 1.033 1.1243 0.9863 0.7037 2.0006 1.0313 1.2884 0.8389 0.8213 1.1451 1.3712 1.1496 0.9566 0.8789 1.0497 2.0993 0.7471 0.6892 0.9624 1.1524 1.6485 1.2618 0.9865 1.2356 1.445 0.799 1.875 1.9245 0.6298 0.5252 1.2751 0.918 0.626 1.2293 0.7128 0.7545 0.7655 0.8969 1.1656 1.0095 1.0705 1.1038 1.0731 2.1986 1.4011 1.543 1.5386 0.6657 0.6552 2.0846 0.3016 1.0816 0.9802 0.7531 0.6363 1.0469 1.3376 0.729 0.8176 1.0797 1.3542 0.6232 1.2206 1.3018 1.0415 0.901 1.4145 1 1.0005 1.5026 0.5964 0.261 0.652 0.6517 0.8603 1.8539 1.8665 0.4888 0.5997 0.9419 1.0829 0.8402 0.8187 0.7541 0.8371 0.8826 0.4562 0.6333 0.7673 0.7165 0.8223 2.3135 0.9748 0.8554 0.646 0.5248 1.3039 1.7303 1.2969 0.8459 1.4181 1.5279 1.5613 1.4525 1.1638 0.7733 1.8091 1.7625 0.6374 0.6276 0.8182 0.8572 1.471 1.2539 0.6609 0.6566 2.1091 0.938 1.0736 0.8558 0.935 1.7945 0.9892 0.8187 0.8461 1.2138 1.8602 0.8913 0.8044 0.7429 1.3808 1.2159 0.9174 1.1488 0.7931 0.7691 0.6016 0.5405 0.8777 0.7133 1.2147 0.6705 0.6872 1.3607 1.2569 1.2635 0.8798 1.6641 1.1567 1.4729 0.9002 1.1779 1.107 0.6617 1 1.3558 0.8063 0.8635 1.7438 1.2029 0.7775 0.9202 1.1867 1.4392 1.0248 2.049 0.455 0.9305 2-hydroxyglutarate 0.6858 1.6909 0.7053 2.1904 0.4728 0.5632 1.5061 1.9808 1.8141 1.619 1.4511 0.7309 1.1467 1 0.8916 0.77 1.2637 1.2325 1.413 1.2334 0.5038 1.1675 1.0151 0.6728 0.5328 1.6339 1.7026 0.6379 0.5905 0.7075 0.4514 1.0004 0.923 0.6665 0.685 0.6583 0.8327 0.7309 0.409 1.1449 1 0.5365 0.6755 0.4755 0.5827 0.6798 0.6474 0.4417 0.3718 0.2873 0.4472 0.6991 0.9196 0.4486 0.311 0.6168 0.5691 0.7031 0.616 0.3898 0.7694 0.7197 1.0829 0.5284 0.767 0.8065 0.9943 0.3641 0.2954 0.9201 0.7916 0.7781 0.8198 0.5503 0.3379 0.6983 0.8533 0.469 1.3046 0.6442 0.788 1.1223 1.1622 0.3429 0.3858 0.8379 0.4842 1.1982 0.4426 0.778 0.4384 1.1057 0.6089 0.8485 0.4387 0.5806 0.8259 0.5094 0.3052 0.3977 0.553 0.5086 0.5444 1 0.7945 0.6432 0.9988 1.0952 0.4019 0.6597 1.2291 1.0816 0.3081 0.5884 0.5345 0.5264 0.9376 1.5162 0.8987 1.0197 0.9995 0.9883 0.7162 0.6136 0.4712 0.3836 0.8153 0.8053 0.5251 0.4529 0.4163 0.6287 0.5473 0.3885 0.4042 0.5164 0.3119 0.9335 0.7149 0.6882 0.6097 0.4945 0.8642 0.7582 0.7442 0.7078 0.5214 1.2698 0.758 0.4355 0.5486 0.7448 0.8715 0.7443 1.2844 1.086 0.8826 0.8395 1.4825 1.9183 1.1375 1.6027 0.4361 0.6487 1.685 1.7949 1.7804 1.6034 1.5371 1.4558 2.5745 2.1755 1.9667 1.6309 1.4336 1.1964 2.712 1.5169 1.5548 1.7835 1.437 2.2483 0.8902 1.1995 1.5035 1.2532 1.9896 1.152 4.0715 1.1978 1.3204 1.0859 1.0576 1.5779 1.6125 1.8999 1.3992 1.5365 1.5814 1.3326 1.3214 1.0695 1.465 1.1969 2.4134 1.7108 1.351 1.2366 1.4281 1.9885 1.737 1.0502 0.6117 0.7505 0.3646 1.4528 0.7365 1.0611 0.893 1.8296 0.8181 1.685 1.1484 1.7287 1.0683 1.4045 1.8378 0.902 0.7191 1.2001 1.2987 1.6209 1.8534 2.1605 1.4754 2.3394 1.4966 1.4998 2.5949 1.2235 1.2167 1.5794 2.1336 1.5906 2.4158 1.6279 2.3704 1.6922 2.0184 2.2121 2.5804 1.5625 2.6718 1.8328 2.312 1.6308 3.434 1.4387 1.3388 2.4974 1.6899 1.3405 1.7192 1.7013 1.2987 1.5318 1.2299 1.4888 1.4256 0.6719 0.2715 1.4841 1.4099 2.3061 1.3128 1.3187 1.5318 1.9433 1.6761 1.594 1.2478 0.6776 0.6453 0.8971 0.6673 0.5921 0.4074 0.749 1.4914 2-hydroxyheptanoate* 0.8073 0.8415 1.018 1.08 1.0505 0.8162 1.2073 1.7571 1.5837 1.1324 0.9312 0.7299 1.4337 1.3197 0.9084 0.5146 1.0447 1.0986 0.8283 0.9224 0.7348 0.7891 0.6531 0.7409 0.8015 1.5128 1.2657 0.2974 0.8087 1.1821 0.4293 0.8716 0.5831 0.7344 0.2731 0.7587 0.5899 0.7625 4.6542 0.8983 0.8097 1.2667 1.0148 0.684 1.2714 0.6686 2.2464 0.5846 0.4758 0.6826 0.5244 0.2731 0.2731 0.73 0.5779 0.9625 1.0424 1.1118 1.112 0.701 0.9157 1.0538 1.3995 0.8123 0.4035 0.4579 1.1453 0.8696 1.1148 1.2023 0.2731 0.8757 0.9922 0.7281 0.5906 1 1.3092 1.1088 1.551 0.7839 0.7128 1.2437 0.948 0.8595 0.5101 0.5825 0.2731 0.8616 0.7623 0.5159 1.8276 1.2864 1.0844 0.9538 1.4275 4.1369 0.7268 0.9895 0.3137 0.5244 0.6442 0.7092 0.6728 1.1482 0.9025 0.4612 0.9069 0.6306 1.2717 0.8943 0.8806 0.7055 1.4765 0.6524 0.4346 0.5443 0.9584 0.8897 1.118 1.0372 0.2731 0.2731 0.8208 1.0612 0.8123 0.8707 0.8806 0.8373 0.3983 0.4909 0.7272 0.7125 0.2731 0.2731 0.6839 0.9265 1.1281 0.9617 0.2731 0.6607 1.0137 1.3084 1.0985 0.4835 0.4366 1.523 0.6554 0.7884 0.6411 0.6215 0.3359 0.5913 8.0857 0.5266 1 0.6542 1.0742 0.5111 1.8447 1.6306 0.8311 1.126 1.1673 0.5922 1.006 0.8227 1.2703 1.0961 1.5275 1.5321 1.4843 1.7492 1.1145 1.0331 0.689 1.155 1.0564 1.0753 1.1322 1.2194 1.7932 1.2008 1.0654 1.0954 1.1329 1.0865 1.2986 0.7743 0.9694 1.5625 1.0439 1.2416 1.1117 1.2898 0.9596 1.335 2.1426 1.6552 1.0263 1.0243 0.4357 0.6648 1.8169 1.029 1.0977 0.7522 1.0599 0.9459 0.7448 1.1182 1.1266 0.8064 0.6163 0.4959 0.5513 1.4135 0.7439 1.8371 1.1459 1.2631 1.1108 0.9392 1.1872 1.1052 1.5743 0.7542 0.8861 1.4731 0.4478 1.1179 0.8819 0.8753 1.2043 0.8323 0.9012 1.7502 1.5515 1.2534 0.2731 0.599 0.7456 1.0249 0.8172 1.4981 1.5015 1.5765 1.4204 1.7698 1.1778 1.5111 1.2797 1.3731 0.9526 1.167 1.2475 0.8565 1.5829 1.1371 0.9083 1.205 1.319 1.2009 0.7499 1.0071 1.5728 2.1377 1.5446 1.1006 1.3264 0.7235 1.3262 1.1694 1.1028 0.8923 1.0682 0.9355 1.5374 1.6317 1.5703 1 1.4118 3.0671 0.6468 0.5606 0.4406 0.7285 1.0717 0.825 1.3975 2-hydroxyphenylacetate 0.3462 0.2023 2.3203 0.7989 2.3513 2.0353 0.9555 1.27 1.9333 0.9247 1.2026 0.7586 0.7619 1.261 0.8708 1.0052 0.2023 0.4158 0.6769 0.5686 0.2023 0.6509 0.2023 1.4637 0.8458 1.2513 0.6895 1.2317 0.698 0.6313 1.107 1.247 0.2951 1 0.4349 2.2919 0.4712 0.7485 0.6045 0.8401 0.2023 2.3676 2.2069 1.4987 1.0719 0.9616 0.4531 1.9009 0.827 0.9008 0.4671 1.1535 0.6166 1.7652 0.2517 0.838 1.1957 2.1056 1.9287 1.1959 1.1444 3.8947 1.7027 0.9527 0.6193 1.213 1.5487 1.3056 1.8564 1.2256 0.8422 0.7459 0.796 1.004 0.2023 1.2158 1.9372 3.2392 1.8216 1.1933 1.0618 0.9399 0.8125 1.6661 1.2661 0.8826 1.1605 1.1906 0.3899 0.2023 0.2023 0.2023 0.2023 0.9017 1.7534 1.9753 0.7224 0.5545 0.5374 0.744 1.0282 1.5809 0.8087 0.7034 0.2023 0.2023 0.2023 1.0102 0.9139 0.7733 3.759 2.2398 1.8582 1.1785 1.9562 1.9988 1 1 1.1591 0.7028 1.2562 0.2023 0.2539 0.6379 0.8473 0.691 0.2023 0.7574 0.607 0.6431 1.1915 0.4923 1.0336 0.5602 0.7086 0.5019 1.8878 1.7393 0.6626 0.2023 0.2023 0.2023 1.6846 1.6306 0.2023 3.8908 1.0403 1.0671 0.4869 0.7781 0.4586 0.9402 1.0764 0.9027 1.3755 0.2023 0.6125 0.2023 0.8636 1.4239 0.8932 1.3478 1.2516 0.6872 0.4428 0.3572 1.131 1.3247 1.257 1.2745 0.7439 1.7013 1.6366 0.6359 0.8293 0.8514 1.4788 1.0266 1.3838 1.4661 1.3296 0.9216 1.1695 0.776 0.5695 1.5502 1.3347 0.7365 0.2023 0.2023 0.468 0.2023 0.2023 0.996 1.1051 1.5975 0.7402 0.4903 0.8727 0.6236 1.4319 0.8691 1.0032 0.9358 0.9798 0.2023 0.2023 1.0783 0.2023 0.9396 0.4617 1.2284 0.2023 0.2842 0.8897 1.7486 1.7419 2.0528 0.9882 0.8323 0.4848 0.2023 1.0785 0.2023 0.2023 0.2023 0.6227 1.5047 0.7185 0.8959 0.4657 2.6953 1.6609 0.7717 0.4323 0.9634 1.0111 0.2023 1.1411 0.517 0.2023 0.2023 0.2023 2.0211 2.2172 1.2553 0.8701 0.9461 0.4484 1.5058 0.9895 2.9283 1.1276 1.0208 1.1229 0.2023 1.187 0.2023 0.2023 0.2023 0.8944 1.1027 1.0607 0.9514 0.4454 1.201 1.806 1.6476 0.9231 1.2593 0.2023 0.2023 0.7452 0.31 0.7781 0.9404 0.7777 4.0876 1.0921 0.6707 0.8907 1.499 1.7567 0.4633 0.2945 0.2023 2.7455 1.4602 1.6902 2-keto-3-deoxy-gluconate 1.3622 1.0288 1.4041 0.8803 1.0116 0.8348 1.0193 1.0014 1.7573 1.816 1.4593 1.5436 1.7439 1.6755 1.2188 1.177 1.8427 1.0382 0.5995 1.1017 0.9363 0.9221 0.5511 0.934 1.24 0.775 1.0221 1.986 1.5601 0.7829 0.7451 0.5864 0.6387 3.0601 0.6446 1.7588 1.2215 1.3334 0.9784 1 0.6903 1.3927 1.0695 1.8701 1.0569 1.2565 0.8302 1.1132 1.3017 0.5736 0.7237 0.967 0.7528 1.0853 0.9668 1.6526 0.967 1.2978 1.1489 0.8158 1.1479 1.9056 1.4172 2.0302 1.3189 1.0627 0.7041 1.2397 0.9257 0.7796 0.7535 1.9007 1.3776 1.2421 0.8446 0.9077 0.5818 0.9666 0.6563 0.8932 0.7537 1.6024 1.0988 0.9313 1.0216 1.7999 0.7126 1.011 0.8816 1.1722 0.6093 1.4796 0.7716 1.6631 0.8959 0.6024 0.8433 0.8686 0.5896 0.8734 0.6342 0.5398 0.3863 1.0359 1.6433 0.5717 1.2723 0.9779 0.9144 0.6911 1.2913 1.1863 1.0706 0.6923 0.8806 0.8389 1 0.6915 0.9356 0.4499 1.2534 1.0754 0.9048 0.4861 1.5852 0.5073 1.4479 1.1945 0.5429 0.7078 1.4318 1.6421 0.56 0.6206 1.1777 1.1509 0.7245 0.3814 2.1275 1.3668 0.8295 1.2005 0.9714 0.8582 0.8354 0.8397 0.7512 1.2966 0.7999 1.0423 1.0488 1.5318 1.4705 0.9072 1.1756 0.6009 1.469 0.9407 1.6764 1.1832 1.3123 0.7934 1.4672 0.752 1.2691 0.8261 1.2838 0.8209 1.7649 0.7493 0.4684 0.8706 1 1.9476 1.4803 0.6813 1.1709 1.0036 0.8714 0.8369 2.3036 1.6739 0.6501 0.2555 0.6428 0.5771 0.5181 1.0055 0.9901 0.8107 0.7649 1.4731 0.5475 1.1694 0.6324 2.016 1.2 0.7697 1.135 0.8289 1.4174 0.63 0.605 0.7337 1.2996 0.856 1.0807 1.2231 0.897 1.0095 1.018 0.9803 0.8793 0.7674 1.1878 0.9373 0.9204 0.7842 0.3507 1.7427 1.4085 0.8665 0.6967 0.8933 0.5207 1.9845 0.9982 0.8422 0.5506 1.2674 0.7489 1.3636 1.2855 1.0543 0.6728 0.5705 0.5531 1.0346 0.9636 1.6988 1.0482 0.7359 0.8966 1.155 0.7612 1.4443 0.7636 1.6557 1.3099 1.9046 1.3445 1.8758 1.5662 1.2695 0.7576 0.9826 1.2672 1.3052 1.4829 1.0232 1.0808 1.1382 1.8727 1.2189 1.0894 0.7147 1.0611 0.8241 0.7746 0.931 0.9557 1.0837 0.59 0.8752 0.6029 1.0287 1.6509 1.4521 2.2331 1.3063 2.4384 0.8451 1.292 0.7072 0.7405 1.1499 0.516 0.4099 0.9184 2-O-methylascorbic acid 1.3803 1.1778 1.3242 1.1885 1.0887 0.7825 1.2504 0.7187 1.3268 0.9864 1.7356 1.3328 1.6284 0.8099 0.6165 1.3176 1.0322 0.8449 0.4548 1.6906 1.3858 1.6633 0.8671 0.973 1.2008 0.8348 0.8136 1.3381 1.0369 1.0866 1.1093 0.9056 1 0.9178 0.6514 1.3913 1.0074 1.1198 1.1179 0.746 0.7313 1.0205 0.8271 1.5704 0.8296 1.2815 0.9718 1.6255 1.4801 0.9676 0.9956 1.0668 0.9506 0.8239 1.317 2.9267 1.8082 0.918 0.9511 0.917 0.5897 1.1898 0.8834 1.0419 0.7587 0.8247 0.6134 1.0919 0.9568 0.9969 1.3529 0.9189 0.6342 1.2737 0.8323 0.8827 0.6938 0.9045 0.5945 1.0629 0.6895 1.354 0.8665 0.9826 0.8101 1.0291 0.7184 1.1525 0.8002 0.918 0.8489 0.7778 0.8469 1.0355 0.8567 0.6962 1.0295 1.2604 0.9642 0.7648 0.7275 1.1786 1.1103 1.0601 1.2468 0.9929 1.404 1.1849 0.9478 0.7073 1.4089 0.859 0.8915 0.6311 1.3858 0.8403 1.0351 0.8951 0.9189 0.6469 1 0.7261 1.2914 0.8682 0.774 0.5728 0.8955 0.6944 1.0744 0.7537 1.632 1.7175 0.8293 0.617 1.4599 0.7017 1.4134 0.7392 1.485 1.5372 0.9296 1.8003 1.1203 1.5133 1.1282 1.3125 0.8991 1.8621 1.3508 1.3783 1.1206 0.9073 1.4968 0.8558 1.1412 0.7686 0.8774 0.6456 1.5167 1.0564 1.4064 0.8692 1.6912 0.9358 1.1012 0.7947 0.9029 0.6637 0.8694 1.1913 0.5717 1.2965 0.9323 1.1647 0.9221 0.9567 1.4397 1.1652 1.4163 1.3181 1.3089 1.355 0.8643 0.96 0.765 0.8537 0.2884 0.8827 0.8378 0.8962 1.3659 0.7037 0.5361 1.0601 0.6295 1.7187 1.9495 1.8925 0.8031 0.6269 1.2296 0.8218 0.915 0.7252 1.3624 1.1277 0.9751 1.1259 0.9017 0.9838 1.4344 1 1.0712 0.904 1.4757 1.1379 0.7284 0.9596 0.8906 1.9451 1.2287 1.9387 1.1639 1.0453 0.8155 2.0392 1.5604 0.8586 0.9447 0.805 0.756 1.0449 1.0813 1.8554 0.8929 0.7245 0.6219 0.9533 0.6622 1.666 1.0189 1.0134 0.9403 1.1338 0.6715 1.7988 1.1598 1.252 1.0003 1.1514 0.9387 1.5166 1.0406 2.0007 1.5014 1.049 0.9691 0.8071 0.8462 2.031 1.1417 0.8319 1.2758 0.9635 2.0994 1.1867 1.202 1.2906 1.111 1.1037 0.9551 1.1816 0.7416 1.7842 1.0885 0.8532 0.5829 0.8282 1.2404 0.998 1.4272 1.4034 1.4744 0.8576 1.0688 1.5533 1.3981 0.4873 0.9327 2R,3R-dihydroxybutyrate 0.7395 0.9294 1.1733 1.1942 0.8262 0.6949 0.9 0.7259 1.2227 0.7 1.828 1 0.9634 1.0693 0.5112 1.261 1.5313 3.1675 1.6842 1.0228 0.5969 1.2104 0.9088 0.5325 0.4834 4.3609 0.8777 1.2807 0.8296 0.6001 1.1471 0.9453 0.6451 1.5662 0.6417 1.0561 0.829 1.6481 1.2988 0.3144 0.3998 1.0701 0.9484 1.3149 0.9339 1.6832 0.5806 1.3647 1.1909 0.8099 0.558 0.9523 0.5113 1 0.5805 1.8059 0.9238 1.2108 1.0673 0.8897 0.6888 1.041 0.922 1.1752 0.4625 1.2831 0.8814 0.9542 0.896 1 0.6156 1.3744 1.1076 1.0377 0.6556 0.5044 0.571 2.1313 0.9381 0.8689 0.8122 1.446 1.2616 1.4799 0.8982 0.8758 0.5301 0.4576 0.8721 2.0728 1.2149 1.3926 1.3601 0.8746 1.0632 0.9727 1.2623 1.0523 0.8653 0.6632 0.6897 1.0077 0.4596 0.8744 1.0223 0.7064 1.099 0.9158 0.5992 0.5116 1.6514 1.4487 0.7193 0.9262 1.2503 0.9594 0.8398 0.6774 0.8785 0.593 2.1424 1.288 1.3328 0.6164 1.9724 0.7246 1.0863 0.6891 0.645 0.4307 2.0045 1.097 0.7617 1.2104 1.0222 0.7545 0.7996 1.0729 1.096 1.6027 0.9609 1.6074 1.0109 0.8958 0.5919 1.1049 1.2164 1.3019 0.7701 1.3602 0.7908 1.1588 1.065 1.0193 1.5701 1.2098 0.7028 0.4981 1.4086 0.7956 1.1451 0.4468 1.5478 1.0537 0.8067 0.6592 0.5538 0.9127 1.6459 1.1236 0.6794 1.3427 1.0342 0.6773 0.5685 0.6207 1.1573 0.7064 1.1614 0.7042 1.6707 1.1056 1.2437 2.0064 1.1794 0.5613 0.439 4.2864 1.6344 0.8535 1.3327 1.2869 0.8083 0.9146 0.6919 1.7595 0.7984 1.2406 1.5766 1.0441 1.3992 0.926 0.7942 0.7683 1.3406 0.5902 1.3178 2.5827 2.1272 1.3292 1.3197 1.1531 1.4916 0.7562 0.9892 2.202 1.5082 1.0301 1.3669 1.0477 0.8308 0.9635 0.7368 0.5457 0.4428 1.5851 0.9005 1.0224 0.4434 0.9805 1.2309 1.7049 1.7205 1.6665 0.7124 0.6393 0.9222 1.7835 0.772 1.2718 1.8701 0.7256 1.014 1.0637 1.0468 2.0175 0.9356 0.663 0.9534 1.3893 0.7679 3.4812 1.7625 1.9637 1.1398 0.3575 0.6551 0.8364 1.8935 1.5148 0.661 0.8854 1.1449 0.8951 1.6261 1.1786 1.0565 0.9989 0.6248 0.9593 0.6918 1.5344 0.8556 1.145 0.7119 1.1706 0.8213 1.7635 1.7514 0.5974 1.0469 1.0639 0.9126 0.4931 0.6382 1.324 0.8278 1.1097 1.3358 2S,3R-dihydroxybutyrate 0.3781 0.797 1.2125 1 2.1627 1.4865 1.5898 0.6649 1.8061 0.9014 0.8002 0.897 1.2463 0.9301 0.7193 1.1635 1.2543 1.63 1.1595 0.3838 0.4893 0.7225 0.5027 1.0562 0.7306 1.3353 0.8818 1.1502 0.6626 1.7296 2.3588 2.2982 1.6673 1.7226 1.715 1.3783 0.699 2.3263 1.3379 1.0912 0.5994 2.2322 1.303 0.8751 0.7764 0.9748 1.213 1.3577 1.0543 1.0002 0.6559 0.9268 0.911 1.6021 1.1281 0.8827 0.2844 1.8425 0.9073 1.5394 0.4525 2.7438 1.7305 0.8695 0.5245 1.8072 0.7096 1.5629 1.9011 2.4347 1.3202 2.0078 1.2558 2.1731 2.0847 0.9184 0.6952 0.7916 1.0868 1.4061 1.1081 1.823 1.2008 0.3694 0.6816 0.916 1.3078 0.8979 0.5595 0.5679 0.6852 1.614 0.7829 0.7809 7.1906 2.8519 0.607 1.1468 0.3247 1 0.5052 1.3746 1.5391 0.8472 0.7077 1.0125 2.844 1.9597 0.8731 0.7205 1.8907 1.1092 3.1148 0.689 0.6634 0.5869 1.3428 1.4438 1.3056 2.1534 0.9726 0.6416 0.8866 0.6703 0.6292 0.7687 1.4699 0.6936 1.0661 0.6288 1.7433 1.242 0.7619 0.4485 0.6457 0.5382 2.2004 0.5815 1.8362 0.7801 0.8339 2.5193 1.4447 0.846 0.8329 1.2701 0.5913 0.8605 0.6518 0.542 0.2543 0.9806 1.0476 0.6003 1.7794 1.104 0.8316 0.2538 1.6806 1.7788 1.0314 0.4964 2.411 1.103 1.0938 0.498 1.6526 1.0389 0.6152 0.6849 1.8062 0.5403 0.5705 1.7217 0.9191 0.5244 3.0098 1.7592 0.8446 0.5874 2.1451 1.5691 0.573 0.6535 0.5961 2.1299 1.9523 2.0532 0.8959 0.5453 1.3444 0.8362 0.3096 1.4979 0.9893 0.9284 1.6201 2.0538 0.7789 0.9936 1.8917 1.5183 0.6196 0.6681 1.688 1.2934 1.3799 0.6333 0.4302 1.0049 0.8352 0.4979 1.5779 0.4073 1.0741 0.9767 0.536 1.3765 0.7708 2.0117 0.8466 1.5149 1.293 0.9057 0.7046 1.4397 0.6849 2.817 1.0238 0.9949 0.5659 1.0451 0.6582 1.6901 0.6771 0.8894 0.5763 2.2847 1.0153 1.504 0.4152 0.974 1.7742 1.3812 2.5165 1.4468 1.4216 1.7358 0.5284 1.1894 0.7472 2.6426 1.8736 0.8895 0.7384 1 0.7094 0.2755 0.4955 1.404 0.7281 0.7827 0.7642 0.3458 1.498 0.869 1.6899 2.0242 2.555 0.9947 0.9221 1.0275 0.866 0.8661 0.34 1.0925 0.6231 1.5754 0.976 1.3986 1.1182 0.8769 1.4663 0.8587 1.0417 1.6897 2.0013 0.4568 1.5247 3,4-dihydroxybutyrate 1.2277 1.0304 1.2137 0.8179 0.9782 0.717 0.7278 0.7555 1.406 0.7649 1.1017 1.046 1.1071 1.5341 0.9646 1.2316 0.9991 1.4131 1.0019 0.9192 0.8403 1.2207 0.7321 0.9286 0.7158 1.1259 0.7023 1.107 0.9473 1.675 1.0151 1.3224 0.9344 1.3023 0.8974 1.1514 0.6777 1.222 0.9652 1.5823 1.3866 1.0546 0.8409 1.4856 1.0177 1.371 0.7363 1.1477 1.0947 1.0588 0.8631 1.0208 1.0079 1.2264 0.9266 1.6323 0.9909 0.999 0.8522 0.8548 0.7913 1.4872 0.8696 1.1165 0.7645 0.9257 0.7526 1.0623 0.907 1.2044 1.0574 1.1399 0.9502 0.9852 0.7268 1.1925 0.8441 0.9962 0.6957 0.8978 0.6905 1.0697 0.7811 0.7837 0.5356 0.7998 0.7219 1.6085 0.8361 1.0837 1.7881 1.4112 0.7543 0.9269 1.0821 1.2066 1.643 1.0583 0.6809 1 1.0662 1.2275 1.1094 0.9974 1.5073 0.9456 1.8037 1.476 1.0048 0.7996 1 0.8391 0.8044 0.5644 1.2177 1.1253 1.166 1.4906 1.2742 0.7593 1 0.9512 1.0659 0.8006 0.9267 0.8876 1.0031 0.7723 0.895 0.6731 1.0393 1.0249 1.1105 0.6812 1.1111 0.9132 0.8868 0.5325 0.7842 1.4465 1.3605 0.8846 0.6736 1.2399 0.9109 1.2254 0.7471 1.2069 0.7455 1.0573 0.8129 0.9709 1.4562 0.7803 1.0942 0.81 1.1116 0.7207 1.3417 0.9176 0.906 0.6929 1.1321 0.8367 1.2065 0.7695 1.1123 0.7058 0.8646 1.0175 1.0009 1.0196 0.9635 1.3322 0.9249 1.0952 1.2044 1.0336 1.6886 0.9266 0.9345 0.9659 0.6361 1.0982 0.9152 0.8709 0.713 1.1568 0.7869 0.9488 0.9015 1.2995 0.8563 1.079 0.8534 1.2168 1.2762 1.1238 1.0279 0.863 1.2033 0.6875 0.9502 0.7748 0.9554 0.9488 1.3133 1.1603 0.9979 1.2561 1.0641 0.7573 1.0643 0.638 1.1235 1.1005 0.7778 1.0307 0.7098 1.1674 0.8958 1.1002 0.8308 0.9658 0.7874 1.1797 1.0575 1.8914 1.0021 1.1663 0.6336 0.9864 0.7524 1.2928 0.9989 0.7604 0.9205 1.1081 0.7987 1.2774 1.0003 1.0738 1.0906 0.8754 0.776 1.4124 0.7673 1.3056 1.0734 1.0811 0.8085 1.3183 0.8273 1.0762 0.9019 1.0819 1.1117 1.2078 1.2338 1.117 0.8259 1.1472 1.0461 0.8679 0.9348 0.7644 1.2539 0.9247 0.7934 1.0076 0.9812 1.1901 0.8942 1.0299 0.9707 1.0062 0.666 1.1705 1.1896 0.8023 1.0499 1.2183 0.9094 0.9674 1.1648 1.0838 0.8302 0.4749 1.1063 3-hydroxy-3-methylglutarate 1.0302 1.0291 1.3606 0.6102 0.8536 0.751 1.0929 1.0153 1.3773 0.9063 1.4266 0.9445 1.633 1.1506 0.9224 0.9639 1.014 1.2057 0.8182 1.2629 0.9844 1.0388 0.9488 1.0902 0.7685 2.0176 0.8278 0.9783 0.8844 1.1742 0.7371 1.2447 1.0423 1.0519 0.7041 1.087 0.883 1.3151 1.0304 1.3281 1.1344 0.9372 0.7791 0.9989 0.7312 1.1121 0.8873 0.9948 0.6121 0.9514 0.7965 0.9201 0.9723 1.2621 0.8041 1.6052 0.8758 1.1287 0.8734 0.9039 0.9325 1.2275 1.4332 1.6002 1.0123 1.056 0.7043 0.7054 0.8267 1.049 1 1.9131 1.0702 0.8821 0.7167 1.0684 1.1283 1.2139 1.1253 0.9926 0.7888 1.1448 0.8671 1.324 0.8519 0.9762 0.8444 1.2912 1.5422 1.1124 0.9426 1.0592 0.7819 0.9523 0.9771 0.8864 1.2946 1.6102 0.8017 1.126 0.7204 0.7449 0.5733 0.9829 1.3476 0.9285 0.997 0.7629 0.9867 0.7417 1.0653 0.7316 1.0665 0.6613 1.5495 1.2366 1.0875 0.9749 0.939 0.7239 1.1877 0.8409 0.9233 1.4412 0.9474 0.8921 0.9268 0.6612 0.9742 0.8409 1.1689 1.1376 1.0423 0.7723 1.0221 0.7973 0.7979 0.5565 1.4259 1.3407 0.9689 1.6513 0.8204 1.0119 0.6937 1.2813 1.1928 1.4956 1.0549 1.788 1.0676 1.4982 1.4126 0.9952 0.9975 0.7321 0.9779 0.8353 1.3829 1.538 1.4978 0.9439 1.2333 1.0452 1.2477 0.7885 0.9644 1.0067 0.8576 0.9423 0.6789 0.962 0.5718 1.2469 1.0125 1.0953 0.9022 0.7177 1.2329 0.9688 1.1975 1.1304 1.1214 0.9939 0.7904 0.7386 1.3046 1.2419 0.8859 0.8199 1.0253 0.9417 0.6573 1.1238 0.7642 1.5058 1.607 1.3381 1.3126 0.933 1.2319 0.8499 0.9929 0.7198 1.9078 0.8252 1.3059 1.249 0.6867 1.1259 1.2641 1.0865 1.4303 0.6703 1.388 1.2334 0.9931 1.1826 0.6261 1.7946 1.1245 1.1913 1 0.9617 0.7871 1.4803 1.0065 1.2628 0.8942 1.3802 1 1.1834 1.063 1.9342 0.7599 0.8309 0.731 1.2863 1.1244 1.4346 1.0912 1.026 0.9783 0.9278 0.7035 1.3659 1.007 1.3303 0.8199 1.4731 0.9645 1.2376 0.8594 1.0598 0.9266 1.1433 0.9369 1.212 1.2255 0.8824 0.816 0.8811 1.0824 0.8213 2.1976 1.3562 1.1132 0.8584 0.5775 1.0522 0.7997 1.1338 0.8211 1.1645 0.9597 0.8863 0.719 0.8055 1.0001 0.842 2.0114 1.3664 0.9325 0.7563 1.2391 1.0763 0.8743 0.9066 1.1632 3-hydroxyadipate* 0.7103 0.7729 1.5086 1.4519 1.0852 0.8416 1.5736 0.579 1.1774 0.2717 1.2775 0.841 0.925 1.2286 0.6039 0.4783 0.456 0.971 1.1479 0.6755 1.807 0.8847 0.6533 1.0941 1.3544 0.9172 1.0255 0.8949 0.6844 0.6448 1.2218 1.5495 1.0997 0.3251 0.5349 0.9933 0.6656 1.2378 0.6067 0.427 0.4905 1.3005 0.5843 0.2717 0.6614 0.7282 0.8927 0.9812 0.8371 2.445 2.707 1.9334 2.7451 2.4162 1.2525 1.6971 1.12 1.3182 0.9486 1.4408 0.3894 1.8055 0.2717 1.0603 0.7203 1.1161 0.2717 0.6562 1.6714 0.8893 0.5807 0.8661 0.7165 1.032 0.8384 1.3135 0.3704 0.9493 1.799 0.5627 0.8573 1.1786 0.6607 0.2717 0.3765 0.758 1.4885 4.6927 0.5903 0.9077 2.1365 1.4702 0.7362 0.8997 3.5456 0.988 0.536 2.5779 0.2717 1.0516 0.8654 0.3788 0.7459 0.8408 0.9878 1.9022 1.1397 2.0964 1.5497 0.959 1.1934 0.5451 1.8262 0.5716 0.6694 0.9357 1.4345 1.0399 1.3121 1.1038 0.7274 0.5417 0.7885 0.6875 0.5848 1.1254 1.4223 0.9929 0.5387 0.3972 1.04 1.0028 1.1635 0.5432 0.9918 0.4857 1.7165 0.4275 2.668 1.6823 1 1.1834 0.9443 1.0296 0.7931 2.2724 1.4407 0.5866 0.2717 0.989 0.6351 1.4836 0.787 0.794 1.7143 2.6593 0.604 0.2717 0.8822 2.027 0.7605 1.6844 1.5693 1.0283 1.6049 0.7784 1.389 1.0963 0.549 1.4533 2.836 0.9761 1.8912 0.8436 0.9086 1.2227 1.189 1.7858 1.2398 1.5554 0.777 1.4278 0.6317 1.1005 1.1774 0.9972 0.7913 0.6345 1.2302 0.7733 0.4071 0.9106 1.3259 1.3008 0.9968 1.4989 1.783 3.7343 3.5637 0.4951 2.6162 0.873 1.1336 0.6332 1.1716 0.747 1.0121 0.5833 0.7603 1.3937 1.7657 0.7797 1.4125 0.4885 1.5185 1.2234 0.419 1.7328 0.5049 1 0.6828 0.9777 0.7159 1.7335 1.1494 1.0289 0.9992 1.9923 0.3325 4.0916 0.5109 1.1489 0.4535 1.3198 1.1371 1.6439 0.7496 4.1422 1.168 0.9475 0.4181 2.6668 1.0052 0.7391 0.7998 1.3102 1.5449 5.0453 1.7793 0.627 1.2698 1.5627 2.1025 1.46 1.5512 1.4732 3.0754 0.9101 0.8823 1.299 0.9503 1.346 0.9181 0.2717 0.918 0.2717 0.6052 1.0445 0.7335 2.2423 1.4178 0.8986 0.3869 1.0603 0.4161 1.0295 0.6473 2.89 1.2293 0.8261 0.7671 0.8058 1.3296 0.8278 1.3048 1.2295 1.7835 0.3969 0.9104 3-hydroxybutyrate (BHBA) 0.2252 1.4361 0.6327 0.9131 3.0824 1.3987 3.9213 0.2632 1.0217 0.3851 1.6594 2.478 0.8224 1.5728 3.6241 0.439 1.262 0.5299 0.5371 0.6499 4.5717 0.9657 2.8449 2.5301 1.0689 1.1317 1.2325 0.5411 0.5931 2.2267 2.8909 4.8868 4.7145 0.2466 0.9044 0.8581 0.3801 0.9779 2.1805 0.6041 1.3243 1.4587 0.7134 0.4173 0.9718 5.4109 5.9103 0.6406 0.8436 7.2826 9.4924 3.879 4.6717 1.0853 7.9225 4.5241 4.7826 1.1643 0.9531 0.9841 0.2546 1.0445 0.2468 0.7235 0.7232 0.7455 0.6992 0.4583 11.0755 1.3435 3.8758 0.554 1.0651 0.2168 4.1668 1.3177 0.651 0.2798 4.4805 0.6377 0.7612 0.7517 0.7807 0.5149 1.1145 0.4733 6.7055 1.6244 0.4405 0.4133 0.9875 0.985 0.5445 1.2587 7.9435 0.6533 0.2543 13.7076 0.4515 6.9798 0.9108 1.0438 5.0819 0.2781 0.5809 4.6895 1.7081 1.0509 3.0182 0.7849 0.5189 0.5126 9.7261 0.4907 1.137 1.988 1.9661 4.9552 2.6548 4.995 0.5438 0.6261 0.5196 1 0.6463 8.072 1.1046 2.7207 1.2087 1.1097 0.8764 1.7244 1.0973 0.6247 0.5169 0.3723 5.4009 0.5747 0.8646 3.8781 4.3168 1.3656 0.6088 1.3762 1.1203 3.9563 0.4531 0.9287 2.1037 1.3832 0.2892 4.079 0.4245 0.8812 3.723 1.6235 0.5627 0.4767 0.7369 0.2065 0.6777 3.5224 1.775 3.0313 2.3829 0.3554 2.3006 1.4279 0.252 1.7272 14.3429 0.1547 1.4467 0.6631 0.223 1.253 1.8299 2.3841 0.5256 0.6437 0.9522 1 0.4669 4.9211 1.4539 2.9584 1.0677 0.8999 0.8655 2.1675 0.4479 0.2836 0.7267 0.5767 0.4958 1.3647 6.546 6.9503 0.3469 0.2427 0.7736 0.7332 2.6795 0.8214 0.382 0.5119 0.3825 1.0227 0.5677 0.2634 0.4064 0.5749 7.8466 0.7471 3.512 0.5531 0.49 2.4962 1.0508 1.5818 0.258 3.4655 5.3555 5.1004 3.2279 1.097 1.1197 1.9051 1.8399 0.8048 0.2427 0.9117 0.4296 1.4309 1.8507 3.3304 1.239 3.18 0.9394 1.2124 0.3846 1.9113 2.1433 1.0704 0.3679 0.46 2.8287 2.9364 0.7305 0.5321 0.376 1.0911 0.5211 1.3272 1.1758 2.664 1.7698 0.531 1.1375 0.3701 0.4874 0.6858 0.6136 0.4653 1.3244 0.7501 0.9758 0.6237 1.6567 1 2.5663 0.3934 0.3853 2.7311 0.4369 1.2736 1.6348 0.6766 0.6607 3.2451 0.8592 0.5689 0.9302 4.4557 6.7656 0.5688 4.7783 0.2594 0.4402 3-hydroxyisobutyrate 0.471 0.6896 0.8558 0.9522 0.8963 1.5399 1.9828 1.053 1.4749 0.6672 1.1369 0.5666 0.8029 1.8019 1.9141 0.8757 1.7295 1.1681 1.1064 0.8862 2.1535 1.2074 0.5425 1.7793 0.7561 1.1544 1.8076 1.1043 0.7646 2.4929 2.199 1.0343 2.3037 1.5724 0.6545 1.0986 0.5866 1.0781 1.1328 1.1012 1.2206 0.6088 1.0122 1.2112 0.6061 2.0992 2.4961 1.1201 1.3597 2.124 0.2814 2.5024 1.5404 1.7093 3.2877 1.8876 1.5763 1.1511 0.7837 1.1467 0.9173 1.2785 0.7543 1.3423 0.9448 1.1425 0.8316 1.0183 2.947 0.8717 1.4731 1.7906 1.4687 0.6903 0.8637 1.2061 0.5962 0.7009 2.8901 1.2073 1.4284 1.3678 1.4019 0.9662 0.8918 0.5098 0.8646 0.8439 0.9426 1.7047 1.2882 0.8701 0.7609 1.0948 3.0457 0.911 0.6069 3.7032 0.8747 1.7136 1.0013 0.7909 1.754 1.2501 0.8019 1.5692 1.1921 0.9623 1.4349 0.6776 0.7916 1.2711 1.1289 1.2553 0.7083 0.6128 0.8872 2.0868 0.7242 1.7539 1 1.2133 0.9907 0.8245 0.9673 2.3951 1.1249 1.8765 0.4036 0.9874 1 1.1655 1.2208 1.4813 0.9045 0.7698 2.5999 0.8093 0.8494 1.3789 1.8703 2.0361 1.5895 0.6395 0.8393 2.852 0.7766 2.1378 0.9925 0.6143 0.5035 0.7523 0.755 0.4995 1.3231 0.4982 1.0276 0.9849 0.6484 1.6013 0.6018 1.4281 0.7286 1.5829 1.4319 0.8102 1.1952 2.0672 0.5676 1.2041 0.2814 0.5289 0.5094 0.8568 0.6521 0.9295 1.5851 1.8752 0.8926 0.7572 1.015 1.0425 0.9799 0.6894 0.6331 1.3873 0.7945 2.2271 1.0538 1.326 1 0.5638 0.2814 0.7335 0.7717 1.2301 0.8817 1.1898 0.6719 0.7266 1.1963 1.1533 1.2124 0.6813 1.2401 0.774 0.9535 0.7113 0.512 0.9095 0.5025 0.7856 2.3554 0.7182 1.5837 0.9751 0.6767 0.9686 1.6105 0.7196 0.933 2.0716 2.4231 2.4258 1.572 0.6566 1.2206 1.4501 0.9292 0.8156 0.6897 0.7746 0.8862 0.8128 0.7645 1.0894 0.5834 3.4468 0.856 0.8115 1.0579 1.1806 1.6389 1.7092 1.3557 0.7367 1.3069 0.9737 0.7976 0.8314 0.8892 1.4996 0.9503 1.2818 0.5801 0.8921 0.3603 0.5386 0.519 0.577 0.5633 1.3712 0.7489 0.7311 1.2726 1.0212 1.1415 1.2296 0.8782 1.1677 2.3619 0.8012 0.8168 0.4755 0.4482 0.9948 1.6283 1.2848 1.1765 0.9565 0.851 0.9639 1.0502 2.405 1.8669 0.928 3.1526 0.5791 0.9715 3-methyladipate 0.2644 0.2644 1.0729 0.7637 1.3022 0.2644 1.9564 1.2865 1.4623 0.7518 1.2943 0.9309 1.3856 0.2644 0.5256 1.0957 0.2644 0.8441 0.2644 0.5576 0.9766 0.2644 0.2644 0.2644 0.7012 0.8083 0.2644 0.2644 0.2644 0.2644 0.2644 1.2865 0.2644 0.2644 0.2644 1.2131 0.2644 0.6983 0.6755 0.2644 0.2644 0.841 0.2644 0.9759 1.0748 0.2644 0.7991 1.3803 0.5562 0.7217 0.7866 0.2644 0.2644 1.0819 0.9587 1.4473 1.0066 1.6219 0.8588 0.8834 0.9745 0.7969 0.2644 1.2192 0.2644 0.807 0.2644 1.2252 0.6755 0.2644 0.2644 1.016 0.2644 1.4747 3.2943 1.1463 0.2644 0.9665 1.2437 0.2644 0.2644 0.5651 0.2644 0.4557 0.2644 0.2644 0.7863 0.2644 0.2644 1.583 1.7031 1.3734 0.8082 0.9613 1.3382 0.5981 1.1491 1.9811 0.2644 1.1812 0.6396 0.2644 0.2644 0.2644 0.7363 1.0385 1.1725 1.0361 1.9316 1.1403 1.2041 0.2644 2.6484 0.2644 0.2644 0.9029 0.6441 0.2644 0.9375 0.8767 0.2644 0.2644 0.2644 0.4471 0.2644 0.6718 0.9335 0.7018 0.8321 0.5771 1.1875 0.2644 1.1309 0.2644 1.0158 0.2644 0.2644 0.2644 2.4021 1.0466 1.0116 1.2825 0.8151 0.2644 0.2644 1.2712 0.7144 1.0257 0.711 1.0078 0.2644 1.6322 0.7431 0.8618 0.2644 0.2644 0.2644 0.2644 0.702 0.2644 0.7845 0.732 1.6638 0.8591 2.9537 0.2644 1.2183 1.0866 0.2644 1.081 0.9182 0.2644 0.503 1.0471 0.9018 1.2307 1.5974 1.0241 1.0643 0.7649 0.6102 0.5904 0.2644 1.0603 0.2644 0.6638 0.2644 0.5074 0.2644 1.6981 0.2644 0.2644 0.4309 1.4789 0.9184 0.8374 2.5121 1.9123 2.0302 1.1814 0.8367 0.6208 0.4566 0.2644 0.2644 0.2644 0.2644 0.5835 0.5475 1.198 1.0396 1.0943 0.8406 0.2644 1.1787 1.0619 0.3934 1.1965 0.2644 1.2349 1.2301 1.08 0.2644 0.9569 0.8031 0.7094 0.7018 1.3954 0.2644 0.7331 0.2644 0.6474 0.2644 1.1867 1.5442 0.2644 0.2644 0.2644 0.2644 0.7819 0.2644 1.0627 1.4513 0.756 0.7145 1.2957 0.7206 1.8399 0.9803 1.2647 0.6044 1.1378 0.2644 1.1891 0.8098 0.7702 1 1.7738 0.2644 1.4967 0.6286 0.7119 1.0756 0.9922 0.7018 0.2644 0.2644 0.2644 0.2644 0.5733 0.2644 1.1779 0.9585 0.9934 0.2644 0.9733 0.8338 1.9735 1.6543 0.4129 1.0708 1.0208 1.2869 0.2644 1.3552 1.039 0.2644 0.2644 0.2644 3-methylglutaconate 1.5108 1.8803 1.6686 0.6474 1.592 1.1077 0.7592 0.4623 1.9556 0.8649 1.7518 0.7838 4.206 1.3216 0.7209 1.249 0.8327 1.1433 1.0958 0.8796 0.5798 0.9064 0.56 1.2367 0.9052 0.762 0.683 1.308 0.9904 0.7537 0.5382 1.3609 1.4844 1.0363 0.6351 0.9219 0.4684 1.5356 0.9775 1.8466 1.4505 0.8785 0.6222 1.5491 0.689 0.5898 0.4915 0.7528 0.5196 1.44 0.9474 0.9182 0.5883 0.8862 0.6016 1.1763 0.608 1.0102 0.6252 1.0403 0.7364 1.8205 1.9143 1.4663 1.1847 0.98 0.561 0.9053 0.8761 1.0588 0.7547 1.2367 0.8215 1.3666 1.0858 1.1863 0.8759 4.6429 1.3184 1.0894 0.696 0.8357 0.6741 1.0905 0.6429 0.6771 0.7318 1.2599 1.6724 2.1843 1.0797 0.7231 0.4586 1.2171 0.7617 0.677 1.8373 2.3581 1.1326 1.0612 0.806 0.8545 0.6741 0.8967 1.2297 0.8984 0.9268 0.5589 0.7186 0.5001 1.2548 1.0428 0.9604 0.6418 1.0727 0.7712 1.0549 0.8015 1.2611 0.7803 1 0.5101 0.77 0.4524 1.7226 1.347 0.7186 0.5388 0.7594 0.5593 1.3013 0.8031 1.0726 1.0842 1.1687 0.9002 1.4843 0.8268 1.7178 1.2662 0.7334 2.5808 1.6231 1.078 0.7407 1.0738 0.461 1.5879 1.0112 1.173 0.6851 2.2912 1.3702 0.6753 1.3187 0.7202 0.7598 0.5742 1.6017 1.2819 1.7578 0.6585 2.0057 1.2736 0.9145 0.6076 1.195 1.6371 0.7952 1.5426 1.1065 0.9589 0.7364 1.4404 0.9103 0.7879 1.0101 0.707 2.1165 1.3786 1.6323 1.0591 1.8053 0.5976 0.4849 0.6423 0.4178 2.3728 1.8181 0.4487 0.7852 0.5702 0.2624 0.947 0.764 1.7167 1.5906 1 1.5353 1.5891 0.9908 0.5677 1.2361 1.0387 1.2587 0.5283 1 1.9852 1.036 0.6603 2.1306 1.3963 1.1427 0.4833 1.4799 1.0088 0.6984 1.4737 1.6944 2.4564 1.6443 0.7878 0.5724 1.564 1.0101 1.1004 0.6802 0.65 0.4719 1.4352 1.1827 0.8959 0.7109 3.6787 0.9306 1.5296 0.828 1.3982 0.8797 1.5091 1.2133 0.982 1.3206 1.2151 0.7609 1.1817 0.766 2.2773 1.5559 1.068 0.5505 1.1608 0.8428 0.8963 0.5445 1.2287 0.8144 1.5192 5.0317 0.7019 0.5392 0.5591 0.8488 0.4259 1.4528 0.7561 0.8295 1.2373 0.8736 1.1423 0.7167 1.5428 1.5213 1.5766 1.5298 1.2975 0.7968 0.9238 1.333 1.1291 4.1668 1.5331 0.9511 0.5238 0.9674 1.3982 1.2297 1.1738 0.9807 5-acetylamino-6-amino-3-methyluracil 1.3986 0.8261 1.9783 0.7939 0.5417 1.3537 0.7395 0.5141 0.442 0.6517 1.954 0.6822 2.1727 4.2061 2.3792 1.8672 1.0654 1.877 1.6457 1.234 0.3884 1.1604 0.0543 3.9014 0.2157 2.1711 0.0348 1.3585 1.9114 0.7084 1.3597 1.4735 1.6632 0.3405 0.4093 1.366 0.8514 0.3678 0.0634 0.0348 0.3336 1.8544 1.3789 1.4545 0.7497 0.4565 0.2017 0.0842 0.0348 0.722 0.5356 1.3842 0.6096 1.3197 0.7418 2.2169 0.5642 2.4688 1.0946 0.5666 0.9773 2.1946 1.2775 1.6867 1.0049 0.0348 0.0348 0.1491 0.1631 1.3297 0.6763 0.6223 0.5086 2.6588 1.4936 1.7714 1.4458 1.1295 1.0055 0.3463 0.1183 0.6094 0.3423 0.7623 0.56 0.865 0.0348 1.5355 0.2964 8.5619 4.4995 0.6395 0.864 0.0348 0.0348 0.0348 3.5148 1.3087 0.0348 0.7587 0.6032 0.6537 0.7616 2.4733 0.4849 0.0348 2.3612 1.4335 0.8408 0.0348 0.7136 1.4508 2.0538 1.127 0.1032 1.3744 2.7121 2.6825 1.6964 1.2824 3.3644 1.0161 1.2928 1.6099 1.5912 0.0348 0.4634 0.4259 1 1.5324 0.0847 0.0348 1.538 1.0537 1.3034 1.2374 0.0348 0.1102 0.1061 3.9854 0.393 0.1022 0.0348 2.1424 0.772 1.7801 0.336 2.6017 0.4125 2.8611 0.8524 0.259 3.2265 1.7204 2.223 1.9945 0.1079 0.0348 2.9083 0.2565 1.7008 0.3402 2.6354 1.1917 1.1212 0.4861 0.9898 1.27 0.0984 0.7059 1.6343 3.9015 1.9442 2.1076 0.7839 4.76 6.1568 0.0948 0.8353 0.4025 0.6735 0.7922 0.7651 0.5434 0.3428 0.365 0.316 0.9839 0.21 7.5168 0.8061 5.8599 2.9268 1.6064 0.5863 3.9574 3.0763 0.7009 2.7736 0.9163 1 0.6095 1.9255 1.3378 1.7565 0.0874 6.6122 2.3682 0.62 2.4309 0.6657 0.7145 0.0348 0.0348 0.5912 1.4687 0.3815 1.634 0.5813 0.0348 0.0348 0.7912 0.124 0.5624 0.7764 5.0905 0.5956 2.8194 2.3963 0.0348 0.0348 1.3118 2.1278 1.9513 0.6156 0.5896 0.0397 0.5003 0.2212 0.0959 0.3724 0.8071 0.7797 1.5996 0.4875 8.3126 0.0582 1.2023 0.6253 2.5828 1.7077 0.3978 0.0775 0.1711 0.3997 3.4027 0.747 1.9015 2.7318 0.6549 0.3631 0.6708 2.3848 0.92 2.6721 1.3422 3.3265 0.9576 1.1029 2.0175 0.8013 0.5488 0.5279 2.3773 2.3306 1.374 0.4643 3.0951 1.8905 1.0342 2.2001 1.2277 0.8606 0.5644 1.2255 0.7243 0.0348 0.845 4.5662 5-acetylamino-6-formylamino-3-methyluracil 1.4117 1.4598 1.2407 0.8676 0.4766 0.928 0.9276 0.5699 0.3183 0.3183 1.5755 1.0101 1.2408 1.2553 1.0367 0.7138 0.6116 3.0116 2.555 2.6872 0.8782 0.6414 0.3183 1.6929 0.3183 2.3105 1.2389 0.3183 1.3782 1.6097 1.5045 0.8881 1.3584 0.5417 0.3791 1.9431 0.3183 0.3183 0.3183 0.3183 1.4688 0.4656 0.3414 0.9233 1.2584 0.6182 1.2017 0.6474 1.1502 0.8033 0.9031 0.3183 0.3183 1.7878 1.3848 0.971 1.3065 0.8434 0.5709 0.3811 0.569 1.2234 1.5371 0.9767 0.7054 0.3183 0.3183 0.4824 0.7409 0.6995 0.3183 1.3298 0.3183 0.9792 0.9379 1.8983 0.7435 0.4415 0.5024 1.0027 0.5166 1.0931 0.3183 0.971 0.8011 0.8426 0.3756 0.5773 0.3183 6.7992 3.5446 0.3183 0.5892 0.3183 0.4034 0.3183 1.4468 0.5698 0.3183 0.3183 0.654 0.9199 0.3993 1.815 0.3183 0.3183 1 2.1634 0.3183 0.517 0.5107 0.9458 1.3033 0.8325 0.5862 0.8805 1.323 1.1799 0.5298 1.0233 2.3329 0.3183 2.0733 0.9873 2.4587 0.3183 0.7754 0.3183 0.3183 0.4549 0.5042 0.3183 0.6404 1 0.7189 1.2765 0.3183 0.3183 0.3183 2.1345 0.9467 0.3183 0.3183 0.3183 0.4765 0.6059 0.3183 1.4496 0.3183 1.7201 0.9434 0.3183 0.8799 0.5249 4.9271 2.7636 2.0972 0.3183 2.4152 0.6385 1.1569 0.3183 0.8661 0.4487 0.537 0.7406 0.9821 1.153 0.9045 0.8237 1.0857 3.5843 1.0191 2.9707 1.2772 3.9243 3.9114 0.3183 0.3183 0.3183 1.1088 1.1568 0.3183 0.9095 0.7595 0.7694 1.1832 2.7005 0.6147 6.4216 2.0395 4.7948 2.2452 0.3183 0.565 0.8766 2.3812 1.5014 1.4253 1.0033 0.707 0.5445 1.5213 1.1843 1 0.3183 4.9995 1.5717 0.9329 1.3879 0.3183 0.607 0.3183 0.6646 1.1242 0.6972 0.3183 1.1364 0.9237 0.3183 0.3183 2.1791 0.3183 1.1445 0.3183 2.5959 0.9738 0.9602 1.2438 0.3183 0.3183 0.8383 0.948 0.8286 0.4587 0.8903 0.5044 1.9634 0.3183 0.3183 0.8821 0.3183 1.8203 0.9148 0.3183 1.8098 0.3183 0.8678 1.1625 1.1616 1.2387 1.1165 0.3183 0.3183 0.632 2.267 0.6917 3.444 2.2507 0.3183 0.3183 0.3183 1.2001 1.2134 2.1119 1.2589 1.1032 0.7219 0.6511 1.5044 0.7719 1.2771 0.3183 1.8304 1.922 0.9602 0.4234 0.7095 1.8435 1.1406 1.562 0.3183 0.3183 0.3289 1.0962 1.3762 0.3999 0.3317 2.4319 allantoin 0.8815 0.9559 1.1245 0.5955 0.9389 0.8554 0.7366 1.0234 1.6502 1.2965 1.0133 0.5494 2.2477 1.5978 1.5659 1.161 2.1546 1.0647 0.8395 0.9596 1.052 1.128 0.6994 0.8572 0.9927 1.352 0.7889 0.9454 0.8923 1.2121 1.0354 0.5933 0.4837 4.0371 0.7707 2.2784 1.2975 1.1421 0.7455 1.4517 1.3241 1.1713 0.8983 1.2331 0.9645 1.4601 0.9016 1 0.7362 0.8782 1.026 1.0019 0.7867 1.3814 0.835 1.3064 0.7973 1.5503 1.5948 1.2933 2.9296 1.935 1.1947 1.1935 0.6989 1.419 0.712 0.6173 0.9333 1.2342 0.8818 1.2839 0.9597 1.0348 0.5386 0.7312 0.7769 0.6972 0.6533 1.1556 1.0019 0.9271 0.7129 1.0018 0.8767 2.2519 0.5448 1.7773 1.2187 0.9087 1.0076 1.2487 0.7074 1.6778 1.1958 1.2556 1.2888 1.4419 0.6037 0.7012 0.6344 1.5536 0.9641 1.2934 2.4497 0.6755 1.0862 1.1268 1.0281 0.9795 1.3397 1.1984 0.9343 0.7379 0.7959 0.6981 1.0284 0.7475 1.0539 0.9453 1.1091 0.8536 0.8518 0.6597 1.9545 0.912 1.063 1.7381 0.7874 0.9379 1.0475 1.1923 0.8686 0.8314 1.0487 0.5721 0.487 0.4981 0.98 0.7616 0.7113 1.0685 0.6391 1.0961 0.8232 1.1574 0.7401 1.1293 0.6256 1.0661 0.6755 1.3991 1.5813 0.9043 2.1289 0.6909 2.5028 1.0224 1.203 0.9645 0.982 0.7555 1.9803 0.9739 1.3695 0.9802 1.1766 0.8119 1.8994 0.9923 1.0402 1.3064 1.1968 1.2943 0.9474 1.3916 1.3769 0.9694 1.0557 1.0024 1.6347 1.3659 1.1355 0.9341 0.7565 1.0184 1.1478 1.4173 0.8439 0.8377 1.1808 2.0999 1.2195 1.4289 1.0045 1.9323 1.7315 1.3887 1.0855 0.6609 0.8015 0.66 0.5471 0.5529 0.9712 0.8133 0.9681 0.8318 0.4435 0.7363 1 0.874 0.7536 0.7013 1.1485 1.0224 1.3681 0.803 0.5919 1.043 0.6885 0.7939 0.9903 1.0645 0.6318 1.2207 0.9729 1.6453 0.7764 1.3369 0.58 1.3154 1.1603 1.0618 0.4239 0.6859 0.547 1.0971 0.7988 0.9449 0.7574 0.5449 0.6047 1.1071 1.1036 2.2361 1.0882 1.1549 0.8151 1.5835 1.0386 1.415 1.2303 1.3446 0.8859 0.9963 1 0.8435 1.7707 0.8302 1.8036 0.9827 1.0082 0.9356 0.6856 0.6634 1.1385 0.8471 0.6261 0.8905 0.7181 1.1457 0.5729 0.4509 0.478 1.0265 2.3335 1.4628 1.7174 0.6609 2.4371 0.9845 1.7791 0.6105 0.6681 1.0545 0.8545 0.7244 1.1524 alpha-ketobutyrate 0.6495 1.5625 1.5604 2.7239 1.8623 0.9306 0.998 0.5631 1.0755 0.6395 0.4976 0.6072 1.074 1 1.2747 0.8207 1.6469 1.2816 1.0996 1.2062 0.9321 2.2436 2.4066 0.8591 0.4515 1.2427 1.8727 0.454 0.6943 1.8293 2.4027 1.8641 1.9211 0.8317 0.922 0.556 0.7082 1.1833 2.7885 1.8432 1.2365 1.0806 1.0146 0.7073 0.5183 1.4449 2.3958 1.6057 1.6987 1.0028 0.7258 0.9317 1.244 1.6011 1.1218 1 0.9439 0.8209 1.1499 1.1264 1.0404 0.629 0.5465 0.874 1.3638 1.2342 1.0589 0.79 1.8206 1.0693 0.4364 1.5504 1.4169 0.2166 1.6869 1.2195 0.7242 1.6317 3.3399 1.0796 0.9621 1.3204 1.8475 1.0889 1.2392 0.5312 1.6047 0.1129 0.1129 1.1758 0.9118 1.4916 0.7491 1.2464 2.5842 1.3722 0.3539 4.5845 0.8112 1.1281 1.1528 0.222 0.8645 0.9009 0.7773 1.4486 1.351 0.4359 0.9012 0.6667 1.101 1.8944 2.0734 1.7616 0.8417 0.9616 0.9669 1.9174 0.9838 1.0567 1.2182 1.371 1.223 1.304 1.0081 3.198 1.2783 1.1813 0.8488 0.9331 1.0966 1.1124 1.0367 0.9461 1.184 0.9912 2.3009 0.7099 0.8127 0.9622 0.9319 2.4242 1.4534 0.961 1.6935 2.1489 0.5992 2.5035 2.0557 0.2875 0.3692 0.7803 0.7302 0.5113 1.5262 0.7967 0.7575 0.775 1.2627 1.1223 0.9449 1.0961 1.1334 0.8113 1.8342 1.3723 0.7922 0.9325 0.5745 0.5659 1.418 0.1129 1.0388 0.7021 0.3344 0.4656 0.5584 0.6494 0.1129 0.4107 1.2264 1.5781 0.8018 1.0711 1.1522 1.0491 1.0929 1.084 0.8817 0.8455 1.8918 0.639 0.1129 0.2995 0.6653 0.6808 1.7547 1.9718 0.3049 0.5 1.0871 0.9929 0.7949 0.5081 0.72 0.7326 0.8808 0.1129 0.2556 1.0245 0.3394 0.398 1.7657 0.7192 0.158 1.2837 0.3185 1.4613 1.0656 1.6052 1.0785 1.306 0.8744 1.0589 0.747 0.3546 0.6402 3.0683 1.1784 0.6061 0.3335 1.1328 0.6933 0.6753 0.5371 0.4804 0.4616 1.1622 0.6224 0.5294 0.6377 0.6509 0.9249 0.6428 0.8145 0.7932 1.0078 2.1066 0.732 0.667 0.8475 1.0295 0.6769 0.9446 0.7454 0.4387 0.1129 0.4909 0.6322 1.0676 0.726 0.549 0.755 0.7572 1.6995 1.2409 0.6617 1.3655 1.1596 1.2566 1.7634 0.6698 1.4295 1.1826 0.3229 0.8346 1.1086 1.1828 0.8159 1.0775 1.1301 0.972 0.681 1 1.0943 1.3639 2.5896 0.4313 0.8187 alpha-ketoglutaramate* 0.8756 0.5742 1.2339 0.8269 1.0748 0.8954 1.2516 1.1885 1.4953 0.9685 1.7057 1.203 1.0885 1.2222 0.8781 1.2846 1 1.2563 1.0671 0.8394 0.779 0.6763 0.4787 0.7829 1.0568 1.1219 0.6615 1.0005 1.0832 1.4395 1.2538 0.8575 0.877 1.4691 0.9165 1.2668 0.9774 1.2772 1.0121 0.6513 0.4844 1.2018 0.8833 1.145 0.9758 1.0321 0.7956 1.2228 0.9899 1.1261 0.7735 0.8655 0.6948 1.0245 0.7927 1.0881 0.8251 1.3417 1.1847 1.068 1.0582 1.3783 1.0908 1.6553 0.997 1.1712 0.917 1.2749 1.2555 1.191 1.0085 1.3657 0.8141 1.1771 1.0488 0.8945 0.764 1.36 0.8546 1.5387 0.9975 0.9845 1 1.001 0.8441 0.9877 0.6831 1.3694 0.6925 1.2842 1.1174 0.9413 0.5492 1.0367 1.3038 1.204 1.4242 1.5385 0.9511 0.8695 0.9185 0.9644 0.6724 0.9479 0.8038 0.5426 0.9537 0.9129 1.0496 0.8062 1.2398 1.1255 1.2087 0.9114 1.2296 0.8838 1.1853 0.8364 1.1413 0.7448 0.9575 0.8453 0.9199 0.6922 1.118 0.8514 0.9919 0.8491 0.814 0.7818 1.518 1.2884 1.0188 0.7639 0.8825 0.821 1.0512 0.6095 1.2911 1.0718 0.6021 1.7472 1.4378 0.9969 0.8537 1.2667 0.9884 1.3596 0.8471 1.3045 0.8734 1.3652 3.1436 0.8009 1.3879 1.2009 0.8763 0.7512 1.6647 1.0419 1.2265 0.6028 1.3333 0.7603 0.9226 0.6753 0.892 0.8564 1.6261 1.0789 0.8228 1.0753 0.846 1.2627 0.9964 0.8934 1.5323 1.0501 1.6085 1.196 1.0999 0.905 0.9192 0.7844 0.6493 0.7881 0.7098 1.1963 1.0588 0.6547 1.0492 1.3925 0.8844 1.0725 0.7511 1.0239 1.2872 0.9563 1.2003 1.1243 1.169 0.8031 0.8144 0.7402 1.1253 0.6991 1.1296 1.6275 1.1123 1.0318 0.8709 0.8792 1.164 0.8916 1.0777 1.0124 0.8301 1.0128 0.8151 1.9685 1.3197 1.0105 0.7304 0.7796 0.6575 1.6314 1.0268 1.3608 1.0099 1.2459 0.886 0.9971 0.7941 0.9558 0.7009 0.819 0.9284 0.966 0.8962 1.3715 1.098 0.9047 1.0425 1.3622 1.027 1.5516 0.7779 1.3503 1.1082 1.8599 1.4966 2.6804 1.0281 1.3157 0.9235 0.863 0.9507 0.9053 1 0.907 0.6591 0.7015 1.1909 0.83 0.975 0.7172 1.3006 1.1066 0.9982 1.1509 0.8084 1.1526 0.7808 0.9934 0.7209 0.7806 0.8812 1.4757 1.7362 0.9412 1.1034 1.1088 1.2803 0.6804 0.9342 1.5288 0.9944 0.7825 1.1186 alpha-ketoglutarate 0.7987 1.0882 1.2014 1.6609 0.7763 0.8324 0.8709 0.8785 3.7552 2.6117 0.884 0.7581 1.1901 1.2908 1.6825 1.3545 1.5061 1.354 1.236 1.556 1.4922 2.5128 1.5296 0.7678 1.4331 0.9909 1.2061 0.6989 1.2134 2.4712 2.9589 0.96 1.2015 1.0128 0.8197 1.6131 1.4979 1.1955 1.3307 1.2739 1.3708 0.6407 0.8345 1.1339 0.7165 1.3851 1.2326 1.3625 1.441 0.8236 0.9301 0.7659 0.8487 1.4313 1.371 1.9403 1.115 1.1099 1.1336 0.6551 1.0751 0.857 0.9316 1.0996 1.2351 1.3083 1.1179 0.7574 0.7458 1 1.0907 2.5258 2.5768 0.7039 0.8696 0.8573 1.0217 0.9695 0.7857 0.976 1.063 1.6816 2.3015 0.9188 0.8644 0.9006 0.8409 0.9368 1.041 1.0576 1 1.3839 0.782 0.8395 1.0507 0.8425 1.1824 1.4975 0.9468 0.9003 0.8616 0.6319 0.6716 1.2152 1.06 1.0565 1.011 0.6777 0.8163 0.6789 1.1807 1.3412 1.1894 1.2646 0.829 0.888 0.8841 0.9102 0.9202 0.7876 0.7118 0.9186 0.9498 0.8775 1.1087 1.1799 0.7796 0.798 0.7126 0.931 0.8839 1.2121 0.8595 1.0841 0.8334 1.0282 0.9874 0.6747 1.1335 1.2709 1.2584 1.0897 1.078 0.9935 1.1525 0.8165 0.9656 1.4962 1.4342 0.9509 0.7161 0.9029 0.5645 0.7262 1.016 0.8755 1.2457 1.1049 1.4164 1.1621 0.8278 0.8825 1.1724 0.8348 1.3815 1.1744 0.9094 0.9633 1.2714 0.8435 0.7965 0.7813 1.3803 0.7687 0.737 0.9344 0.6716 0.6247 0.7225 0.5338 1.9573 2.3911 0.9925 0.9415 0.9868 0.787 1.2064 1.0931 1.2778 1.3985 1.758 1.0517 0.6574 0.6154 0.7509 0.942 1.5717 1.4137 0.9155 1.0187 0.9738 1.0049 0.7643 0.8113 1.1897 0.739 1.3229 0.4253 0.4607 0.999 0.6003 0.8885 1.1676 0.9312 0.745 1.3253 0.7346 1.0186 0.6589 1.1517 0.962 1.1331 1.0895 0.8365 0.8241 1.0752 1.1576 1.4331 1.0078 1.0176 0.9734 1.9551 2.0954 0.6717 0.7415 0.7137 0.7226 0.7771 0.7934 0.9165 0.9197 1.0671 1.1495 0.5317 0.6329 1.4016 0.928 1.6093 1.1556 1.7918 1.3746 1.0403 0.7648 2.1994 1.1533 0.7901 0.8368 0.7137 1.0498 0.9425 0.8783 0.9139 1 1.0592 1.4949 1.1335 0.835 1.3735 0.9096 1.2801 1.0083 0.9967 1.1639 0.8728 0.6159 0.8718 1.0545 1.1979 1.5487 0.848 1.197 1.129 1.4759 0.8192 1.1269 1.3456 0.9673 0.6653 1.139 arabitol/xylitol 1.2686 0.8653 1.6456 0.8317 1.014 0.9711 0.8929 0.8753 1.2674 0.8335 1.8234 0.8954 1.3117 1.2656 0.7784 1.1697 1.0138 1.2497 0.673 1.0513 0.6858 0.8986 0.5512 0.8956 0.6432 1.3784 0.7154 1.2967 0.9865 3.5695 0.8205 2.2429 1.0271 1.5386 0.781 1.5574 0.8755 0.8934 0.7206 1.7543 1.2013 1.4293 0.942 1.4731 0.8949 0.8714 0.6201 1.3344 0.8068 0.9533 0.6454 1.1199 0.6259 1.1259 0.7905 1.828 1.1347 1.2543 0.787 0.8509 0.8641 1.6357 1.4018 1.0691 0.6752 1.0614 0.905 0.8906 0.8365 1 0.6789 1.5299 1.0226 1.4017 0.8953 1.0707 1.1491 0.9445 0.6205 1.1694 0.7182 0.9893 0.8549 0.9984 0.643 0.9313 0.6504 1.1144 4.0321 1.3529 0.781 1.1378 0.7931 0.8674 0.9773 0.7407 1.3829 1.3519 0.7794 0.8817 0.6861 1.3422 0.7992 1.0003 1.2711 0.6364 1.7435 1.1346 0.7487 0.5989 1.2707 1.0015 1.1796 0.8574 1.1936 1.0854 1.1192 0.781 1.11 0.7399 1.1752 0.8262 1.0795 0.6473 1.1187 0.6217 0.8569 0.6873 0.839 0.5804 1.3799 1.0375 1.077 0.5732 0.9847 0.7991 0.7013 0.5131 1.3253 1.116 0.7174 1.4303 0.8382 1.0611 0.6376 1.249 0.7665 1.6593 1.2149 1.8749 1.3432 1.3787 1.3101 0.8105 1.2497 0.5897 1.1671 0.7586 1.6948 0.8522 1.067 0.7111 1.4861 1.0294 1.3685 1.0008 1.0393 0.9597 1.1362 0.9916 0.5913 1.0155 0.7051 1.6088 1.1015 1.0795 1.8728 1.0702 1.3688 0.9388 1.3376 0.9461 0.8865 1.0142 0.6498 0.7246 0.5846 0.9281 0.6643 0.7195 1 2.0189 0.9116 1.1459 0.6315 1.4485 1.1528 1.1263 1.1632 1.256 0.8706 0.6338 1.0272 0.5889 1.096 0.7727 1.4735 1.026 0.7339 0.9093 1.2471 1.0756 1 0.7094 1.0618 1.1809 0.9379 0.9863 0.8764 1.4364 1.132 1.0093 0.7561 0.7847 0.7545 1.8818 1.136 0.9798 2.7656 0.8943 0.7706 1.1639 0.9405 2.1593 1.1488 0.6042 0.7742 0.7243 0.8599 1.1976 0.9842 1.0089 1.2341 0.9736 0.835 1.5551 0.9383 1.0832 0.9471 1.3541 0.852 1.2071 0.7824 1.3079 0.7657 1.0909 0.8109 0.9001 1.253 1.6746 1.0947 0.8333 1.1594 0.8187 1.1858 0.8793 1.1492 1.2006 1.0215 0.881 0.5904 1.4012 0.9774 1.3805 1.4479 0.8662 0.5299 1.0425 1.6662 0.9255 1.4608 1.2358 1.4755 0.6255 0.9712 1.3345 0.633 0.645 1.2448 arabonate/xylonate 2.3312 1.4265 1.6785 0.8938 0.9094 0.6862 0.9396 1.0662 2.1902 1.0101 1.8728 1.0887 2.5223 1.2294 0.5759 0.8696 1.2494 1 0.4669 0.9673 0.5927 1.0006 0.6116 0.7789 0.5558 1 0.4753 1.1903 0.4417 1.0394 0.6546 4.366 0.9132 1.7321 0.8165 2.192 1.0288 0.8415 0.8712 1.9339 1.5534 1.0725 0.5694 1.2599 0.9373 1.1033 0.4814 1.1502 0.9489 0.6921 0.5197 0.794 0.7328 1.0344 0.5556 1.5326 0.9032 1.1204 0.9249 0.766 0.7507 2.0971 1.8627 1.3075 0.4548 0.7786 0.7616 1.159 0.5527 1.1769 0.7814 1.2912 0.659 1.2554 0.8382 1.4235 0.8693 0.8985 0.6373 0.9233 0.7327 2.6491 0.8013 1.253 0.6741 1.4097 0.993 1.2387 1.0425 1.4069 0.6949 1.2119 0.6868 0.9103 0.817 0.6919 1.3925 1.3472 0.9065 0.7983 0.77 1.2454 0.6526 1.1497 1.6122 0.6272 2.216 1.2594 0.9644 0.5791 1.2877 0.5894 0.9143 0.5454 1.7217 1.0393 0.8686 0.638 1.1455 0.9414 1.3321 0.9892 1.1189 0.7851 1.1229 0.5058 0.7685 0.6087 0.8099 0.9101 1.3246 0.8942 0.8398 0.8279 1.6747 0.8616 1.4442 0.5294 1.8247 1.2394 0.6549 1.4357 0.8937 0.7367 0.5024 1.2127 0.5813 1.172 1.1845 2.4344 1.2959 1.2478 2.1003 0.8265 1.1499 0.6259 0.9227 0.5667 1.889 1.5545 1.1377 0.6009 2.0447 1.0538 1.4046 1.1952 0.8073 0.4125 1.2513 1.1304 0.4642 1.101 1 2.5208 1.9542 0.6876 2.2468 0.9725 1.8359 1.1039 1.4144 0.7046 0.7612 0.7676 0.9843 0.5495 0.2699 0.905 0.7761 0.8057 1.118 2.172 0.8605 1.3697 0.588 1.0722 1.4599 1.3047 1.7016 1.8717 0.8374 0.5692 0.9307 0.6802 0.9982 0.9751 1.0402 1.1013 0.8323 0.974 1.6188 0.9188 0.7256 0.6405 0.9636 1.5222 1.218 1.4535 0.6624 1.5729 1.156 1.0004 0.6738 1.0697 0.7246 1.6462 1.2611 0.981 0.6895 0.736 0.4546 0.9677 1.0161 3.1507 1.3017 0.4186 0.7793 0.6989 1.0444 1.9693 1.1365 2.3303 1.2593 1.0092 0.6693 1.9143 0.9078 1.3582 0.9466 2.4965 1.3291 1.7294 1.2147 1.4018 0.9989 0.9811 1.1061 1.5587 1.6346 3.1256 2.0044 0.9444 1.0725 0.3348 1.4997 1.1399 1.2251 1.3091 0.5607 1.0679 0.591 1.7347 1.1173 1.7905 0.9716 1.1263 0.7374 0.7981 1.2048 0.6661 2.1656 0.8388 1.8418 0.5988 1.217 1.0909 1.3428 0.5798 0.8134 ascorbic acid 2-sulfate 1.2908 0.9239 0.9947 0.7573 0.7913 0.5112 1.1656 0.6214 1.1593 1.2323 3.7035 2.277 1.4816 0.9132 0.7215 1.0351 0.8139 0.793 0.6174 1.0265 1.0467 0.4611 0.2428 0.822 0.9072 0.7268 0.8501 1.0692 0.8114 0.712 0.74 1.2708 1.0003 1.2366 0.8389 1.2722 1 0.858 0.6526 0.7659 0.8581 0.5546 0.5561 1.3108 0.7884 1.0424 0.5913 1.1738 0.887 1.232 0.8946 0.9348 0.7677 0.6826 0.822 1.4377 0.915 1.1228 1.0281 0.686 0.4796 1.1048 1.1202 1.4105 0.914 0.692 0.5086 1.1832 1.1148 0.6924 1.3035 0.9584 0.6679 1.6853 1.0007 2.0223 0.9269 0.6851 0.5306 0.5125 0.2953 1.037 0.9001 0.8948 0.7051 1.2134 1.0649 1.0438 0.7668 1.5485 1.5433 1.3015 1.0181 0.8962 0.5776 0.4296 0.5957 1.4213 1.5608 1.196 0.9351 1.0143 0.6888 0.9643 1.2202 1.2964 1.5202 1.7023 1.3634 1.0083 0.6747 0.3756 0.8354 0.4846 1.2857 0.9052 0.9572 1.1105 1.4851 1.1058 1.3007 0.8958 1.3274 0.7968 0.8438 0.6983 0.94 0.6681 1.1412 0.7248 1.1526 0.9498 0.8991 0.6349 1.1788 0.5619 0.7228 0.552 1.1531 2.3987 1.464 1.9509 1.171 1.2735 0.7979 0.7697 0.4742 1.5803 1.1703 1.7641 1.0263 1.6916 1.6229 1.2382 1.1539 1.0343 0.9967 0.8852 1.916 1.1172 1.0395 0.6117 1.3408 0.7857 0.7247 0.5445 1.3654 1.0394 0.6876 1.2856 0.6238 1.2818 1.0555 1.6404 1.5798 1.0754 1.1838 0.8019 0.8913 0.5564 0.704 0.9015 0.8005 1.1491 0.7774 0.7957 0.2461 0.6788 0.649 1.0618 1.1889 0.8488 0.5917 1.0015 0.49 1.0844 1.4846 1.1422 1.5549 1.087 0.8076 0.6056 1.0759 0.7372 1.3116 1.1575 0.7014 1.37 2.2271 1.4609 1.4596 0.9715 1.2116 0.8707 1.1878 1.4313 1.0857 0.7774 0.5695 0.9764 0.6422 2.4928 1.5881 1.4128 1.0843 3.146 1.9068 0.9116 0.7935 0.8491 0.8471 0.886 0.7785 2.1717 1 0.8589 0.7693 1.1214 0.8816 3.4539 1.5462 1.9865 1.22 1.0177 0.6256 1.1429 0.9166 1.571 0.8593 1.3637 1.0251 2.8893 1.3242 0.9332 0.7749 1.0905 1 2.0094 1.3999 1.5989 0.7672 0.6677 1.3385 0.9629 1.2375 0.7406 1.2567 0.8826 0.7464 1.1913 0.8932 1.852 1.0565 1.7483 1.2828 0.9896 0.6638 0.3933 1.0285 0.8768 1.3927 1.2261 1.0497 0.7612 1.6564 1.0984 0.706 0.5701 0.5738 ascorbic acid 3-sulfate* 0.8567 0.7075 1.4798 1.0121 1.0512 0.5934 1.698 1.031 1.5345 1.1474 4.396 2.076 0.9842 1.3488 0.7854 1.081 1.1778 0.6629 0.3021 0.552 0.391 0.4779 0.1475 0.7433 0.9317 0.4609 0.4943 2.0021 2.0475 0.8956 1.1418 1.6717 1.0829 1.5065 0.9538 1.5757 0.8926 1.0256 0.7608 0.6168 0.7573 1.4506 1.1162 1.8375 1.0024 1.0268 0.6287 1.5173 1.0769 0.5915 0.3983 0.708 0.6037 0.6968 1.2325 1.4787 0.7192 0.7087 0.7239 1.3112 0.78 1.7374 2.2804 1.3433 0.9265 0.8347 0.6016 1.1509 0.9085 0.652 2.048 1.195 0.7512 3.2857 0.8767 2.2745 0.9358 0.9292 0.4666 0.7071 0.5834 1.2808 1.1414 0.7529 0.538 0.6197 0.4022 1.3587 0.9865 1.3368 0.9736 0.5497 0.6052 1.0058 1.311 0.8282 0.7127 1 1.7063 0.6285 0.6937 1.6982 1.1702 1.2271 1.2127 1.4091 2.8436 3.0821 1.2245 0.8721 1.6058 0.9955 1.5677 0.9224 1.0104 0.5792 0.8014 1.3025 0.8409 0.6808 0.8829 0.5028 0.8237 0.6314 0.6735 0.4934 0.8381 0.6277 1.2779 0.865 1.4163 1.1871 0.735 0.5396 0.9237 0.4425 0.7153 0.4137 1.3638 1.8023 0.9876 3.213 1.8789 0.9513 0.5721 1.2143 0.5267 2.1878 0.922 2.5251 1.3204 1.5591 0.8666 0.6603 0.8869 0.7315 1.0584 0.7891 3.4622 2.8728 1.0874 0.668 1.5392 0.8273 0.7764 0.5145 0.9422 0.8703 1.0631 0.4807 0.1648 1.4845 0.9866 1.6029 2.002 1.1545 1.903 1.0812 0.8692 0.6606 1.1827 0.8815 0.7682 0.6507 0.4503 0.512 0.1098 0.6174 0.4816 1.4392 0.9037 0.4969 0.3106 0.9422 0.4483 0.7797 1.7439 1.2722 1.739 1.3589 1.2042 0.6981 0.5483 0.4073 1.3249 1.0183 1.1394 1.8219 4.4007 0.9979 1.5648 0.9745 1.2333 1.0548 0.717 1.0726 0.6042 0.3537 0.2575 1.5316 1 2.2608 1.0826 0.9326 0.7286 2.8084 1.7541 1.8226 2.0491 1.1034 1.0247 1.6176 1.771 2.5931 0.8906 0.5318 0.4688 1.3687 0.936 2.892 1.0534 1.3445 1 1.3723 0.7273 1.5463 0.9589 1.7983 1.2726 1.4145 2.1899 2.1987 1.0687 0.5592 0.3999 1.0549 0.7925 1.6125 1.0473 1.7868 0.7257 0.6926 1.6706 1.1516 1.5889 1.0798 1.2545 0.3079 0.3662 1.6581 1.1594 2.8721 1.721 1.9145 1.1072 0.8133 0.6027 0.7164 2.1451 1.5237 1.2031 0.8454 0.8981 0.5363 1.1038 2.1966 1.1359 0.4437 1.0185 caffeic acid sulfate 0.1704 0.1704 0.8907 0.1704 0.1704 0.1704 0.1704 3.1803 0.1704 0.1704 0.1704 0.1704 1.6002 28.7334 6.4047 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.9162 1.5403 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.3132 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 1 23.3225 0.1704 0.1704 0.5302 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.7343 0.1704 0.1704 0.1704 0.1704 0.1704 0.6271 0.1704 0.1704 0.1704 0.7499 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 1.59 0.4401 0.1704 0.1704 0.1704 0.586 1.1836 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.3665 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.2505 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 51.9969 0.1704 1.3388 0.1704 3.5719 0.1704 3.6291 3.9302 0.3846 0.1704 1.4036 0.1704 0.1704 0.1704 6.2212 5.7542 0.1704 0.1704 0.1704 1.1331 0.1704 0.3511 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.4632 0.1704 0.1704 0.1704 0.368 0.1704 0.1704 0.8297 0.1704 9.3922 0.1704 0.1704 0.1704 0.6297 0.2315 0.1704 0.1704 0.1704 1.5435 0.1704 0.1704 0.1704 0.1704 0.7837 0.1704 0.1704 0.1704 0.1704 0.1704 14.5123 0.1704 0.1704 0.1704 0.1704 0.1704 0.9442 0.5224 0.1704 0.1704 0.1704 0.1704 0.933 0.1704 0.1704 0.1704 0.1704 0.1704 8.229 0.1704 0.1704 0.1704 0.1704 4.967 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 1.067 0.1704 0.1704 3.8565 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 2.2735 0.1704 0.4453 0.1704 0.1704 0.1704 0.6291 0.1704 0.1704 0.1704 0.7797 0.1704 0.1704 0.8669 0.1704 0.1704 0.1704 0.1704 0.1704 9.3857 0.1704 0.1704 0.1704 0.1704 1.1337 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 0.1704 carboxyibuprofen glucuronide* 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 1.0802 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 1 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 0.9198 citraconate/glutaconate 0.9582 0.7524 1.0969 0.9716 0.819 0.9571 1.1286 2.6856 1.7964 1.0582 1.7604 0.8716 4.2207 38.2399 15.9249 0.6225 0.8158 2.4838 0.8445 0.9516 0.803 0.9043 0.9798 0.7863 0.8777 4.2524 0.8934 0.9475 1.1779 0.5742 0.5948 1.4386 2.185 1.4779 0.3988 1.3741 0.7576 1.0824 1.7621 1.117 1.08 0.7247 0.9079 1.3271 0.8163 0.8101 0.6583 0.7629 0.7065 1.3158 0.7729 0.5935 0.9334 1.3458 0.6916 0.8093 0.8752 0.4157 0.8762 0.4537 0.7451 1.0484 22.8681 0.7148 0.641 0.2145 1.3887 0.7251 0.2814 0.6995 0.2145 0.7536 0.4679 1.0293 0.4562 0.7914 0.5792 0.7607 0.4881 0.7049 0.3783 1.0783 1.4794 1.1237 0.7672 1.1709 0.6427 0.7603 1.0462 1.7218 0.8573 1.3132 0.8446 0.7121 1.2087 1.9993 2.849 1.0766 1.187 0.9689 0.8215 0.9292 0.9859 1.3018 0.88 0.5742 2.7892 3.6823 0.9004 0.6296 1.0674 0.6476 0.8252 0.6592 0.5315 0.9552 1.8088 1.0594 2.354 0.7433 0.9981 0.6245 0.7251 0.7628 0.8261 0.7294 0.8129 0.4538 0.9576 0.8004 1.1461 0.7803 0.7645 0.7906 0.9408 0.766 0.3364 0.7005 1.1546 1.7778 1.0501 0.4908 0.8556 0.4877 0.5866 0.8087 0.6164 0.453 0.8824 0.9048 0.3891 0.665 12.4798 0.4062 0.8605 0.6729 0.4697 0.3314 2.7856 1.0022 2.4154 0.6239 1.5911 0.8605 1 0.9083 9.4101 6.6233 0.9329 1.0473 1.044 6.5945 1.6976 1.7124 1.0223 2.4242 3.2575 0.7561 2.1487 1.3608 1.8721 2.3325 0.4388 1.4597 1.3384 1.3417 0.6295 4.2529 1.018 18.026 1.3132 4.0749 1.3007 6.5387 2.8355 1.8966 1.3644 1.2724 2.5934 2.7989 0.8648 0.4691 5.4837 1.2807 0.6495 0.5791 0.4853 1.9668 0.7247 16.1714 1.4619 1.1319 0.2215 0.7452 0.3124 4.108 0.6182 1.1624 0.7302 3.0421 0.2145 1.1303 1.7512 1.122 0.7871 2.0893 1.1225 4.108 0.5479 1.2201 0.6765 1.4448 1.601 2.2037 0.9496 0.9695 0.8598 1 1.0938 1.0238 0.8375 1.9423 1.544 1.8075 1.5378 9.8081 0.8498 0.7838 0.955 1.9239 2.2683 1.8037 1.6446 2.1097 0.9208 3.6499 1.2801 2.9001 1.4155 2.5868 4.0348 3.6262 4.1666 4.6429 1.0048 4.8945 1.2497 0.5957 2.1322 1.8498 3.0798 1.3328 0.9279 1 1.679 17.5059 2.7547 1.1772 9.1217 0.8602 4.402 1.2957 1.3884 0.9817 1.0137 1.009 0.481 0.4831 0.4788 decadienedioic acid (C10:2-DC) 0.4081 0.7777 1.5273 0.7959 1.9253 1.2769 2.0184 0.8231 0.9916 0.5065 1.709 1.4033 1.6569 1.7804 1.3925 1.4858 0.2587 1.1841 0.6715 1.3744 1.2742 0.1852 0.2281 2.0494 0.8453 1.2114 0.9893 0.5289 0.5434 0.506 1.666 3.6646 3.6138 0.0663 0.1902 0.8134 0.3492 3.4322 1.2953 0.5027 2.0099 0.5864 0.1637 0.0663 0.2103 1.409 1.3045 0.9508 0.4912 2.8102 2.9253 1.2155 1.1766 1.5363 1.2547 2.6909 1.5307 1.7378 0.9038 0.6601 0.109 1.8462 0.6106 1.213 0.5628 1.2336 0.5209 0.9097 1.8426 1.756 1.441 0.7489 0.2749 0.8479 1.2155 1.1133 0.4116 1.6176 2.3792 1.1105 0.5792 0.761 0.445 0.1774 0.5696 1.0778 2.2453 3.3006 0.2262 0.7528 1.4227 2.018 1.457 1.4403 1.7105 1.185 0.6768 2.7803 0.3319 2.1987 1.5266 1.7814 1.9932 0.8322 0.6931 1.4023 0.9869 0.6855 0.976 0.4455 0.9322 0.5925 1.5078 0.4396 0.4665 0.5699 1.4507 1.4826 1.5092 1.9096 2.0492 1.0677 0.8647 0.7348 0.725 0.9109 1.3448 1.6062 2.1446 1.7303 0.8273 1.1473 2.0611 1.469 0.7314 0.867 1.51 0.5707 1.4655 1.2616 0.8739 1.3256 0.8758 1.4877 0.7699 3.0407 0.7244 1.0931 0.66 3.964 1 1.464 1.046 0.9854 1.2196 1.4829 0.3873 0.3024 0.5766 1.1121 0.3705 0.6218 2.9756 2.0815 0.9192 0.3349 1.773 1.3589 0.3759 2.1177 3.1875 0.4056 0.8683 0.7845 0.5682 3.2909 1.3651 1.406 0.6212 0.2878 1.1292 0.8655 0.6908 0.9796 0.3808 0.8537 0.4788 0.0663 0.4603 1.1082 0.3557 1.4023 1.2877 0.7771 0.3649 6.0495 4.0756 2.8684 0.9909 0.5547 0.7963 0.6784 1.4894 0.665 1.8285 1.2095 0.992 0.833 0.5041 0.4645 2.206 1.4573 1.103 0.1637 2.0399 0.5013 0.4482 2.4644 0.788 0.8815 0.673 0.7104 1.008 1.5341 1.2274 1.6063 1.0791 3.9916 0.0663 1.144 0.5963 0.7925 0.4876 1.0958 0.9661 1.9772 0.536 0.7692 0.4011 0.9382 0.246 2.1577 2.8942 0.261 0.1157 3.5564 2.6023 0.707 0.1726 0.1276 0.0767 0.8312 0.272 2.8443 2.5906 1.0789 0.4362 1.1138 0.482 1.2341 0.9711 2.1826 0.9308 0.5142 1.4439 0.7157 0.8989 1.4442 1.5464 0.1956 0.1727 0.0663 0.0663 1.2318 0.5661 1.1154 0.7969 0.9463 1.0905 1.2389 1.7514 2.2345 1.0463 1 1.649 0.7868 1.7499 0.5732 1.6935 dihydrocaffeate sulfate (2) 0.6504 0.1517 2.1676 2.4004 0.9531 0.7457 0.9251 0.7677 2.4694 0.1517 0.4989 0.6795 1.6594 8.3809 6.5836 0.5686 1.8329 0.5112 0.4409 2.4667 0.1517 0.1517 0.8509 0.3374 0.3059 0.5233 0.4197 0.4596 1.4701 0.5952 0.1517 0.9727 1.8626 2.4226 1.3051 0.1517 0.6322 1.2651 0.1517 1.8388 0.6487 0.9534 0.688 0.7463 0.8108 0.1517 0.1517 0.1517 0.1517 0.1517 0.1517 0.3617 0.1517 0.1517 0.1517 0.4616 1.2565 0.6542 0.1517 0.978 0.5369 1.2915 5.8635 1.1243 0.9665 3.7112 1.0181 3.0019 0.1517 0.1517 0.1517 1.095 1.1527 0.5936 0.4678 2.4129 0.9514 0.9576 1.5341 0.1517 0.5431 0.1517 0.1517 1.3194 1.1431 0.3684 0.3978 1 1.5441 1.2986 4.6331 0.65 0.7002 0.9161 0.5033 0.1517 1.7238 0.1517 0.1517 0.1517 0.4111 1.9741 0.4325 0.1517 0.7481 0.1517 1.6844 2.7873 0.1517 0.1517 1 1.0447 0.4174 0.1517 2.7198 0.7746 0.1517 0.1517 1.0036 0.6972 0.9526 0.1517 1.3943 0.7672 0.6554 0.1517 0.1517 0.1517 0.1517 0.1517 0.62 0.1517 0.1517 0.1517 0.7896 0.1517 0.5848 0.1517 0.7541 0.9596 0.1517 1.4454 1.6911 0.1517 0.1517 1.0908 0.3618 1.6211 0.1517 1.5424 0.5011 0.1517 46.8297 0.871 1.4367 0.6429 4.0694 0.467 1.6502 1.5088 1.8761 0.1517 3.5293 0.46 1.4135 0.625 1.6505 1.265 1.0756 0.5731 0.1517 3.1815 0.8888 1.8285 0.1517 0.3894 2.1258 0.1517 3.5349 1.9996 1.9059 8.0172 0.1517 0.1517 0.7557 0.1517 0.3121 2.5911 0.2856 4.0375 2.7495 0.6361 0.1517 1.371 4.3148 0.1517 0.7894 1.2042 1.4455 1.3564 0.5186 0.1517 0.1517 1.3546 0.8424 1.1388 2.2618 4.5206 0.1517 5.0569 0.8064 0.497 0.1517 0.1517 0.2835 5.8366 2.0587 0.1517 0.1517 0.8276 1.2593 1.9736 0.1517 0.1517 0.1517 0.1517 0.1517 7.1014 0.6401 0.5384 0.1517 2.014 4.0634 0.7182 0.1517 0.1517 0.9964 0.481 1.0428 0.8089 1.2374 0.1517 1.4988 1.0661 1.104 14.0379 0.2235 0.1517 0.5564 1.1396 0.6562 0.6028 0.7438 0.1517 0.1517 2.9151 38.7732 0.8018 1.0024 1.141 0.6376 0.4104 2.0488 0.8543 2.5104 1.3911 1.0944 0.4648 0.3919 0.9194 0.1517 6.6853 6.0405 0.3972 0.1517 4.1686 0.1517 0.2411 0.1517 0.1517 1.805 0.3307 0.4733 0.1517 0.3951 1.0009 0.7302 0.371 1.9107 dihydroorotate 0.7156 0.6087 1.1045 1.0627 1.345 1.6219 1.251 1.1348 0.5421 1.4747 1.2398 0.8887 0.0705 1.0124 0.2877 1.1845 0.0768 1.2066 0.9431 0.9749 1.0428 1.2517 1.0973 1.4934 1.4519 1.0973 1.4319 1.3557 1.0407 0.4417 0.519 0.8136 0.8449 0.0797 1.5429 0.2214 0.4183 1.2125 0.9801 0.3658 0.4778 1.5992 1.6584 1.4335 1.2198 0.0705 1.1361 1.1139 1 1.1125 0.7595 1.8705 1.302 2.2819 2.1514 1.326 1.115 1.1075 0.8451 1.1518 0.2172 1.2546 1.3641 1.9226 1.148 1.2482 1.0234 0.9603 0.7218 1.0234 0.5203 1.9832 1.4461 0.9495 0.6315 1.1248 1.1024 1.4684 0.9032 1.393 1.2492 0.994 1.1332 0.9848 1.1135 0.0705 0.4589 0.9427 0.6468 1.5054 1.8458 2.1036 1.4123 0.0705 1.1289 1.0247 0.7058 0.3688 0.9236 0.8096 1.0623 0.8427 0.6231 0.5988 0.1306 0.8133 0.7423 0.6192 1.3604 0.5603 1.6929 1.294 1.4764 1.1695 1.4936 1.1612 1.1983 1.2232 0.2462 0.5923 1.1117 0.5011 0.9844 0.6504 0.3208 0.6725 0.5115 0.0705 1.1179 0.4566 2.8228 2.8422 1.2835 0.9505 0.5419 0.8734 0.7988 0.7518 1.1248 0.7255 0.5231 0.7169 0.6099 1.0366 0.9229 1.1937 0.5687 0.9148 1.9387 1.5233 1.054 0.2061 0.8111 0.7618 0.17 0.7123 2.1285 0.7817 1.2478 0.7628 1.0404 0.7123 0.6052 0.8523 1.0455 0.6248 0.9295 1.4414 0.3952 0.7177 0.6631 1 0.2076 1.1304 1.3184 0.7836 1.4014 1.3045 1.2679 1.099 2.3554 1.6097 0.6333 1.3503 1.4261 1.0369 1.0909 1.6268 1.3607 1.4325 0.6967 0.352 0.9476 0.5813 0.5717 0.7976 0.6948 0.7535 0.9481 0.7387 0.833 0.3867 0.501 0.587 1.0297 0.8641 1.2073 1.596 1.6697 0.8014 1.5771 0.9138 0.6707 0.5349 1.4357 1.1152 1.4355 0.8623 0.6097 1.2837 1.1193 0.4499 0.989 0.2702 0.7701 1.8249 1.4462 1.011 0.808 1.0251 1.9687 1.0979 0.9377 1.5175 1.0807 0.6421 0.6244 0.5835 0.3969 2.1867 1.8591 0.8457 0.9885 1.4149 1.0163 0.0705 1.6212 1.1048 0.8324 1.3505 1.1415 0.3092 0.2503 0.4259 1.0632 1.1334 1.028 0.6808 0.2103 0.6936 0.1893 1.5412 1.2494 0.6856 0.7814 0.747 1.6151 0.1697 0.4841 0.4501 0.3328 0.6961 0.7353 0.9102 0.7849 1.2301 0.0705 1.2541 1.4512 1.4449 0.0705 1.1978 0.1775 1.4191 0.952 1.4864 0.9579 0.5932 1.4115 erythritol 1.3529 1.1209 1.1661 0.9162 0.8029 0.4729 0.8324 1.0266 1.7895 0.873 1.6635 0.9447 24.7358 1.1158 0.6396 0.9714 0.3985 1.6564 1.17 1.1265 0.6266 0.8922 0.6984 0.7017 0.4901 0.9982 0.7497 1.2759 1 0.9984 0.8621 1.7051 1.0486 0.8363 0.8215 1.4786 1.0844 0.7586 0.6993 1.1025 0.7777 0.8831 0.6689 1.3826 1.07 0.9912 0.6876 1.1854 0.8912 0.8437 0.6782 0.6629 0.7347 0.9897 0.8678 3.9695 2.5473 0.946 0.656 0.5966 0.4785 1.712 1.3486 1.2119 0.74 0.8827 0.7487 1.1881 0.8139 1.0266 0.3985 1.7156 1.1233 1.1325 0.7626 1.1797 0.7573 0.9014 0.4421 1.1073 0.6972 1.441 1.0495 0.7878 34.762 1.1241 0.6602 0.3985 0.3985 1.4268 1.3236 1.3069 0.82 0.6458 1.9299 1.0859 1.2035 1.4069 1.3058 0.9311 0.7658 0.9873 0.5791 1 2 0.8963 1.9634 1.3016 0.7984 0.6857 85.4651 0.5327 1.167 0.8336 1.4334 1.1052 1.0452 0.785 0.9697 0.8933 1.2833 0.3985 1.1493 0.7901 1.0654 0.5228 1.2882 0.5028 0.6973 0.5223 1.48 1.0761 1.163 0.7054 1.0991 0.8287 0.5513 0.5536 0.7267 1.4758 0.6722 1.3094 1.0661 0.9193 0.823 1.1402 0.7021 1.415 0.8833 2.0684 24.5136 0.9034 1.0641 0.671 1.444 10.9837 1.9289 1.2264 1.8886 1.0854 1.0884 0.5912 1.4758 0.8418 0.9862 0.6881 0.9576 0.7158 1.2146 1.0211 0.4928 1.0263 0.3985 1.5976 1.1689 0.9357 1.4221 0.7278 0.9339 0.7045 1.2368 0.8514 1.0162 1.1135 0.7444 0.7967 0.8012 0.3985 0.3985 0.9097 1.2299 1.4945 0.742 1.0159 0.5835 1.1772 1.2809 1.6583 4.0391 1.1021 1.0124 0.5187 0.9146 0.6194 1.118 0.3985 1.7772 1.0327 0.58 1.0439 0.9508 0.9734 0.9727 0.6929 1.1353 1.4948 0.8088 1.1493 0.7448 1.4281 0.9527 1.3858 0.7189 0.7825 20.1543 1.2084 0.9449 0.613 0.3985 0.8955 0.7385 1.0081 0.7087 1.667 0.935 0.5855 0.944 0.3985 0.3985 1.7299 1.4167 1.3346 1.6133 0.5319 1.0113 1.1957 0.6608 1.3771 1.0012 1.4173 1.2654 1.1974 0.7215 1.3422 0.9854 0.3985 0.3985 1.2087 0.9764 1.4753 0.9382 0.7153 1.3723 0.857 1.1704 1.119 0.8096 0.8691 0.9359 1.1461 0.7688 1.4866 1.4083 1.9284 1.2025 0.8011 0.6891 1 1.8391 0.9384 26.3694 1.1716 1.0199 0.3985 1.4679 109.4975 0.487 0.5578 1.203 erythronate* 1.2183 0.8379 1.2766 0.9761 0.8609 0.7808 1.156 0.998 1.5241 1.0121 1.4087 0.9606 1.6929 1.2418 0.7828 1.1637 1.1417 1.1637 0.8099 1.0286 0.777 1.1561 0.7915 0.8698 0.8589 1.0813 0.7842 1.2239 1.0308 0.8522 0.7424 1.0506 0.8422 1.6388 1 1.266 0.9138 0.9889 0.7763 0.9153 0.72 1.1469 0.8654 1.2337 0.8417 1.0624 0.7518 1.2171 0.811 0.815 0.6625 1.1028 0.7765 1.0925 0.8361 1.7321 1.0984 1.1956 0.9507 0.9261 0.8041 1.4881 1.1323 1.2588 0.9145 0.8558 0.6532 0.8907 0.8653 1.3819 0.9273 1.3724 0.8854 1.2537 0.8536 1.1234 0.9306 1.1753 0.672 1.1501 0.8193 1.4121 1.0453 0.9008 1.0954 0.9558 0.6622 1.2494 0.7962 1.0428 0.8761 1.2305 0.8804 0.9786 2.1293 1.5404 1.1603 1.1715 0.8967 1.0555 0.8847 0.8534 0.5318 1.0199 1.3064 0.8979 1.1824 0.9542 1.1191 0.794 2.5189 0.9194 1.0903 0.715 1.1127 1.0041 1.2074 0.8721 1.0281 0.7135 1.2405 0.9217 0.945 0.7391 0.9925 0.6442 1.0596 0.8037 0.9505 0.7539 1.2632 1.0524 1.0093 0.785 0.9933 0.8511 0.8471 0.6084 1.3746 1.2125 0.8861 1.4918 1.0936 1.2774 0.9318 1.2752 0.8007 1.1815 0.864 1.4698 1.2883 1.1789 1.329 0.7126 1.2063 0.8872 1.7812 1.0247 1.7086 1.2682 1.1139 0.7027 1.518 0.9229 1.0267 0.7593 0.9017 0.689 1.0901 0.9301 0.6284 1.1559 0.7896 1.3168 1.1448 1.0173 1.217 0.8147 1.5721 1.1155 1.123 1 0.8176 1.0733 0.74 0.9847 0.8397 1.0537 0.9744 0.8882 1.0079 1.2837 0.8719 1.0232 0.6696 1.376 1.2401 1.0737 1.1159 0.9313 0.9628 0.5579 1.0317 0.731 1.2503 0.8607 1.2414 1.1833 0.8654 1.1678 1.2955 0.9899 0.9524 0.8321 1.0784 1.1224 0.7067 1.0967 0.7473 1.3262 0.9633 1.1598 0.7876 1.2171 1.1987 1.462 0.9508 1 0.7904 1.0376 0.8334 1.0482 0.7574 1.4336 0.8873 0.6526 0.7508 0.8063 0.8356 1.4234 0.9899 1.0461 0.9641 0.8405 0.7125 1.4189 0.8773 1.3689 0.9629 1.2431 1.007 1.2559 0.8088 1.2255 0.9405 0.9776 0.9903 1.0223 1.0735 1.3564 0.9256 0.9762 1.3002 0.9575 1.1224 0.8077 1.0319 0.9396 0.7696 1.1747 0.7965 1.3685 0.9366 1.192 0.918 0.9958 0.7659 1.4851 1.8464 1.0051 1.7656 1.1556 1.1356 0.7258 1.0696 2.6982 0.9659 0.6419 1.2865 ethylmalonate 0.5995 0.7486 0.983 0.7418 1.1219 0.9855 1.6561 0.9512 1.057 0.6809 1.5653 1.0662 0.9791 0.7806 0.5889 0.8984 0.9499 5.3599 4.2183 1.201 1.0051 1.0554 0.67 1.1517 0.8963 1.5953 0.8402 0.9325 0.8723 1.433 1.282 3.9504 4.0896 0.8261 0.7136 1.4757 1.019 0.7814 0.5557 2.4584 2.114 0.8078 0.5994 1.6511 1.3279 0.7709 0.6902 0.5924 0.5394 1.3656 1.6748 1.0043 0.758 0.9922 0.8815 2.5732 1.612 1.668 1.2323 2.8943 1.548 1.3197 0.8221 0.8259 0.5225 0.606 0.4038 0.565 0.671 0.8792 0.6788 1.7242 1.2589 0.9504 0.9724 0.7658 0.6486 3.2076 3.8294 1.1614 1 1.2921 1.3717 0.5122 0.4242 0.7035 0.759 1.0376 0.902 1.0269 0.8893 0.9741 0.6911 0.8028 0.8227 0.5926 1.4714 1.197 0.5435 1.4246 0.9914 0.7231 0.6771 1.1494 1.7483 1.8654 0.7405 0.6076 5.0404 3.4438 5.3223 3.9027 0.6832 0.4013 0.9261 0.9353 1.3433 1.1279 1.3212 1.1743 1.6532 1.148 0.8771 0.7087 0.7684 0.6137 1.2176 1.2582 0.7081 0.5736 1.013 1.0517 4.2184 2.8142 1.0525 1.0303 1.1691 0.7718 2.035 1.1838 0.9106 1.0292 0.7012 0.8754 0.6549 1.3894 0.8069 2.1879 1.4185 1.0819 0.6631 1.0176 1.8045 1.6463 1.5031 1.3013 1.2002 0.7909 1.0865 0.7424 0.8591 0.8003 1.3354 0.9136 0.9159 0.6621 0.7204 0.5729 1.6479 1.1309 2.3004 1 1.1064 1.19 1.1111 0.9997 0.8248 0.639 1.8161 1.3287 0.7641 0.7182 0.8959 0.9474 0.6124 0.699 0.6279 0.6659 0.606 0.5974 0.8722 1.2027 0.8114 0.9785 0.7489 10.4779 1.1172 0.9725 1.2685 1.1898 0.6661 0.5232 1.7653 1.1959 0.9824 0.9383 0.8549 2.8144 3.2793 2.5083 5.2479 3.6017 1.3119 0.919 0.935 1.0511 0.7724 1.3925 0.9405 1.9315 1.3536 1 0.7654 1.0682 0.8412 1.4135 1.2356 0.8144 1.3942 1.4327 0.7405 1.0524 0.6937 1.1883 0.7071 0.5315 0.5372 5.0241 2.0587 0.8889 0.4761 1.1653 1.2267 1.0411 0.7941 1.6659 1.1362 1.7097 1.1387 1.2065 0.7848 0.9549 0.599 2.6101 1.8981 1.9291 1.5332 0.9011 1.0078 1.3624 1.0458 0.6751 1.5203 1.075 1.6201 1.0572 0.9808 0.5826 0.6074 0.8981 0.652 1.044 0.6376 0.852 0.5015 1.1487 0.9888 0.7042 2.5347 2.7653 1.0289 0.6872 1.3343 0.7955 1.6555 5.5152 1.3251 0.7704 0.7796 fructose 1.1591 0.692 0.7804 0.7142 0.7053 1.3883 0.9593 2.7619 1.3149 1.2969 0.9467 0.8887 0.9627 1.0915 1.0706 0.7962 1.1886 0.5783 0.7252 0.7055 0.7257 0.7627 1 1.0835 1.2768 0.6768 0.7688 1.0473 0.739 0.9551 1.0769 1.1836 1.2338 2.0107 1.9994 0.9226 0.8064 0.7092 2.3115 0.8382 0.835 1.7327 0.9606 0.8143 1.1198 0.7282 0.7705 1.0779 0.9799 1.1223 0.7696 1.9867 1.8397 0.7584 0.8767 0.7109 1.1467 0.9858 1.5726 1.2516 1.0847 1.0023 1.966 0.7937 0.9894 1.1876 1.3335 1.1965 1.0523 1.2886 0.6856 0.7667 3.1943 0.617 0.641 0.7204 1.0293 1.4987 0.7972 1.0609 2.718 0.6936 0.8595 1.3113 0.6558 0.7149 1.1487 1.1315 1.0165 0.6476 0.6424 0.731 0.7473 1.0428 1.5303 1.7263 0.851 0.8073 1.0294 1.1151 0.9415 1.1097 1.0164 0.8274 1.0396 0.9138 0.7291 0.9532 1.1108 1.2216 1.2133 1.1204 0.7171 0.7726 0.7473 0.9027 1.1605 1.0047 0.9179 0.8543 1.4589 1.0717 0.6442 1.293 0.7989 1.2342 0.9521 1.0464 0.9123 0.9796 0.7709 0.8543 0.8813 1.0888 1.1044 1.3588 0.9026 1.1255 0.6718 0.8923 1.0331 0.8541 0.6048 0.9964 1.0253 0.8628 0.8393 0.8501 0.9869 0.9675 0.8643 1.2095 1.1212 0.9379 0.8445 0.8109 0.7779 0.966 1.1724 5.1389 0.7392 1.073 0.9904 1.1484 1.097 0.9209 0.8436 1.1416 0.9525 1 0.8609 0.7155 0.8574 0.832 0.9212 0.6765 1.1695 1.7275 1.3521 1.2141 1.0182 1.0492 1.1112 0.8681 1.0272 0.8575 0.7819 0.5952 1 1.224 1.4418 0.8506 1.1497 0.8319 1.0193 1.2963 0.8522 0.7497 1.1252 1.0428 1.2273 1.3664 0.8264 0.9998 1.1021 1.4641 1.3898 1.0871 0.9763 4.4153 0.874 1.1136 0.8517 0.8897 0.9943 0.9899 1.206 0.7044 0.7184 0.9636 1.0352 0.9505 0.8638 0.9048 1.2579 1.2875 0.9598 2.0501 0.9718 1.1642 1.0854 1.0444 1.1496 1.3356 1.2433 0.9047 1.1445 0.4293 0.6777 1.4199 1.1183 1.1111 0.8321 1.2699 1.0256 0.9803 1.0617 0.9426 0.9476 0.9555 1.1317 0.99 1.2594 1.1157 0.9109 0.777 1.6872 0.9198 1.1282 1.1821 1.307 0.9871 1.0556 1.2755 0.8114 1.2889 1.1539 1.0455 1.0775 1.0136 0.7789 0.8555 1.306 0.9833 1.1986 1.1183 1.1887 1.5422 1.3243 0.8131 0.9165 1.4105 0.7481 0.795 1.4104 1.2962 1.1027 1.0165 1.2843 fumarate 0.7374 0.6372 0.7988 0.8861 0.9805 1.3435 1.4156 1.1187 0.8393 1.4299 1.5704 1.2427 0.6948 1.2008 0.8117 1.1343 0.864 0.8824 0.6251 0.9551 1.2359 0.8645 0.8246 1.0494 1.0735 1.1515 1.2507 1.0573 0.9012 1.6165 1.049 1.3218 1.1741 0.739 0.6518 0.603 0.6498 0.9737 0.8372 1.7819 1.0488 0.8462 0.8088 0.8624 1.1904 0.5594 0.8092 0.8862 0.8693 0.8345 0.6796 1.0083 0.9932 1.0574 0.8196 1.6726 1.0688 1.389 1.013 1.1408 0.7837 1.0885 1.2202 1.4288 0.8744 0.7936 0.7767 0.7975 0.8403 1.1659 0.9154 1.2477 1.0058 1.0569 0.9066 0.9701 1.1563 0.6256 0.7883 1.4639 1.2684 1.076 1.2056 0.9953 1.1317 0.8027 1.271 1.0974 1.0714 0.8984 0.9873 1.3242 0.9693 0.7818 1.473 1.2837 1.1532 1.4424 0.708 1.1288 0.9379 0.7856 0.6671 0.9782 0.6891 1.1462 1.4372 1.1631 1.3005 0.8988 1.1602 1.1118 1.7838 1.1892 0.9532 1.1959 1.0158 0.8926 0.9139 0.8898 0.9113 0.7874 1.1745 0.7964 0.6596 0.62 0.6437 0.6985 0.6518 0.4977 1.2209 1.6513 1.0386 0.788 0.694 1.0089 1.2128 0.8536 1.224 1.0633 0.8691 1.3226 1.0694 0.9215 0.6991 1.2055 0.6944 1.006 1.0242 1.4126 0.8391 1.0204 1.4394 0.7337 1.0965 1.4081 1.2251 0.6791 1.1168 1.8453 1.0049 1.0045 0.7733 1.072 1.3517 1.0383 0.9775 1.1877 0.6284 0.9361 0.987 0.7994 0.8008 1.1054 1.1334 1.0232 1.2849 1.2582 1.4854 0.861 1.1186 0.7579 0.9208 1.0078 0.873 0.7389 0.7886 0.7769 1.1795 0.7284 0.767 0.8153 1.2376 0.8856 0.7758 0.8524 1.2522 1.6557 1.1873 1.2644 0.9867 0.7416 0.9792 0.8391 1.3293 0.9642 0.8115 1.1561 1.0374 1.473 1.1469 0.9267 1.3208 1.1432 1.0992 0.5835 0.7557 1.2616 0.9268 1.1487 1.3155 0.8155 0.9958 1.0108 0.9744 1.139 1.2275 1.1931 0.8093 1.257 1.1804 0.7696 0.7041 1.0707 1.0992 0.9746 0.8549 1.258 1.2128 1.0912 1.1593 1.1064 1.4012 1 0.9337 0.6664 0.9369 1.5315 1.112 1.6351 1.077 0.9129 0.5967 1 0.9867 1 1.2478 0.7883 0.5609 1.3079 0.759 1.5401 0.8463 0.7512 0.835 0.8513 0.8829 0.7816 0.9394 0.8861 0.8528 1.0278 0.8563 1.2158 0.7365 1.1423 0.7496 0.752 1.1756 1.4878 0.8338 1.1182 0.6418 0.8 1.0598 1.2299 1.1066 0.6894 1.0388 galactonate 0.6015 0.5882 0.3979 0.1668 0.1668 0.1668 2.3252 0.5262 2.6246 0.3092 1.6685 0.7946 1.5954 1.0831 0.1668 0.6381 3.8567 0.1668 0.1668 1.1075 0.1668 0.1668 0.1668 0.1668 0.328 0.1668 0.1668 2.3243 0.1668 0.1668 0.6501 3.2531 0.8989 0.7437 0.1668 3.1243 1.1025 0.1668 0.1668 0.265 0.1668 0.1668 0.4395 1.309 1.0985 0.1668 0.1668 0.1668 0.1668 0.6549 0.311 1.9563 1.1295 0.1668 0.1668 3.7532 0.5927 0.621 0.1668 0.1668 0.1668 1.8572 1.0615 2.9793 0.1668 0.1668 0.4112 0.4309 1.3286 1 0.7254 2.4979 0.6427 0.6517 0.3608 0.1668 0.9574 0.1668 0.1668 1.1677 0.1668 0.1668 0.1668 0.1668 0.1668 0.1923 0.1668 1.4662 0.9515 0.8696 0.1668 0.8759 0.5782 1.9367 0.8415 0.9326 0.1668 0.1668 1.2011 0.6449 0.546 0.1668 0.1668 0.1668 1.6953 0.1668 2.3787 1.4431 0.4905 1.01 0.5042 0.4595 0.557 0.1668 0.5439 0.5744 0.1668 0.1668 0.1668 0.1668 0.1668 0.4674 0.5503 0.1668 1.0574 0.1668 0.1668 1.0956 0.6324 0.3805 1.2967 1.1347 0.7933 0.1668 0.5119 0.8007 1.5293 0.1668 1.792 0.7626 0.1668 2.5902 1.6883 1.4033 0.1668 1.321 0.7333 0.6905 0.1668 2.2144 0.8056 2.3542 0.7851 0.2265 1.562 0.4951 1.4087 0.1668 2.3272 2.5071 0.1668 0.1668 3.9562 0.1668 0.1668 0.1668 0.1668 0.695 0.1668 0.1668 0.1668 1.2291 0.4222 2.0393 1.9725 0.1668 1.998 0.1668 1.3194 0.9462 0.1668 0.1668 0.1668 0.6892 0.1668 0.1668 0.1668 0.1668 1.6115 0.1668 0.1668 0.1668 0.1668 1.2223 0.5368 2.5253 1.1071 1.3812 0.9385 1.266 0.1668 0.1668 0.1668 0.3103 0.1668 0.1668 0.1668 0.1668 0.175 0.4995 0.3928 0.1668 2.5568 0.6257 1.1458 0.1668 0.1668 0.1668 0.1668 1.348 1.3897 1.269 0.6841 0.2241 0.1668 1.3795 0.7487 0.1668 0.1668 0.1668 0.1668 3.0929 0.1668 1.5982 0.1668 0.1668 0.6411 0.3594 1.2076 0.1668 0.1668 0.6438 2.6556 1.2809 1.3823 0.4219 0.1668 0.4531 1.4869 0.5504 0.1668 0.1668 0.1668 1.1266 0.1668 0.1668 0.1668 0.1668 0.4533 2.6644 0.7117 0.2451 2.3565 1.4802 0.7262 0.1668 0.1668 0.1668 0.8767 0.962 0.4751 1.0334 0.9927 1.752 0.1668 3.2325 1.4122 1.1928 3.6901 0.1668 1.2265 0.3324 2.5179 0.3233 1.0073 1.3247 2.0131 0.3341 0.1668 gluconate 1.4585 1.0448 1.4313 1.0162 0.8361 0.763 1.4217 1.2801 1.4255 0.9898 1.9872 1.3393 2.0222 1.4474 0.8277 1.3297 1.116 1.6171 1.0901 1.0262 0.8007 0.9308 0.6932 0.9275 0.7937 0.7963 0.783 1.6096 1.0851 0.2106 0.7408 0.7538 0.8849 1.7224 0.8781 1.621 1.2696 0.7514 0.7305 0.438 0.5035 0.8984 0.4104 1.4806 1.2641 1.117 0.7335 1.0386 0.791 0.8664 0.8556 1.0782 1 1.0625 0.605 1.4331 1.1351 0.9427 0.5456 0.7673 0.8093 1.0855 0.8107 1.5503 1.0003 1.0957 0.8856 0.8981 0.8723 1.6443 1.0034 1.4137 0.8323 0.6761 0.6366 0.717 0.6216 1.3704 0.8442 1.162 0.791 0.9258 0.7535 1.1467 0.7861 1.0249 0.7455 1.2433 0.3054 1.202 1.0229 1.3049 0.8473 1.212 0.9982 0.9786 0.7637 1.4726 1.2011 0.8606 0.9672 0.8556 0.5985 0.8456 1.382 0.9504 0.9071 0.8475 1.3071 1 0.9249 0.7007 0.7654 0.6871 1.3854 1.2601 1.1176 0.9137 1.0594 0.7817 1.4441 1.1456 0.9954 0.9299 1.3135 0.8437 1.1803 1.0383 1.0884 0.8563 1.2842 0.7227 1.4535 0.9112 1.8184 1.1814 0.9518 0.7586 1.3713 1.9482 1.239 1.545 0.7973 1.3972 0.7924 1.4959 1.1359 1.5386 1.2261 1.3911 0.7198 1.1923 1.3216 1 0.6655 0.5803 1.3504 0.6164 1.0844 0.846 1.1331 0.7138 1.7964 0.8722 1.0012 0.7793 1.1961 0.9968 0.8255 1.1311 0.9412 0.6709 0.6715 2.6199 1.7376 0.889 1.1281 0.5836 1.4946 1.1434 0.7914 0.7247 1.0836 1.0447 0.7747 0.7128 0.5268 0.8651 0.7683 1.1273 1.0047 1.4967 0.7826 0.857 0.7724 0.8235 1.3389 0.912 1.1884 1.0495 0.9814 0.7893 1.2521 0.8165 1.2161 1.0727 0.9946 1.448 0.8605 1.4543 1.9341 1.2429 1.2171 1.029 1.1667 1.2173 0.9658 1.1702 0.763 1.2839 0.9404 1.2161 0.7775 1.3519 0.8954 1.5139 0.9872 0.6734 0.1732 1.3422 0.8631 0.8161 0.766 1.8468 0.9797 0.681 0.8844 0.705 0.9368 2.0422 1.4081 1.4003 0.9889 0.958 0.8421 1.504 1.0152 2.2013 1.4101 1.0746 0.8729 1.5517 1.2883 2.1053 1.0895 1.1725 1.0032 1.6437 1.249 1.3207 0.7616 0.6734 1.5516 1.07 1.1085 0.7277 0.8648 0.7236 0.7217 0.9826 0.9615 1.2156 0.9828 1.3666 0.8079 1.2884 1.127 0.9593 1.2985 0.8163 1.8841 1.5519 1.6176 0.9139 1.0961 1.2197 0.9354 0.7175 0.7062 glucose 1.0639 1.0931 1.2221 1.2136 1.0229 0.9732 0.9336 1.0397 1.1531 1.0615 1.1109 1.0729 1.1241 1.1463 1.0361 0.9879 0.9525 1.186 1.153 1.1445 1.1279 1.019 1.0028 0.8134 0.9383 0.9948 1.0175 1.105 1.0014 1.0248 1.1965 0.8816 0.8459 1.0838 0.9997 1.1289 1.1504 1.0361 1.1616 0.9012 0.8604 1.0479 1.0369 1.128 1.2345 0.9587 1.0676 1.0766 1.0202 0.8816 0.8105 0.9738 1.0701 1.1017 1.2572 0.9494 0.9589 0.9384 0.9879 0.8549 0.9523 1.0275 0.7939 0.9839 0.9962 1.152 1.164 0.9773 0.9338 0.9959 0.935 1.1312 1.1093 0.9377 0.9936 0.9663 0.9131 1.2763 0.8736 0.9521 0.8994 1.0723 1.0589 1.0638 0.944 0.8995 0.7988 1.0501 1.04 1.1356 1.1085 1.2403 1.0946 0.8906 0.9775 0.9811 1.0544 0.9334 1.0067 0.8725 0.9299 0.9511 0.886 0.9557 1.1037 1.1444 1.0652 1.0954 0.9182 0.9038 0.9695 0.994 0.8694 1.0552 0.8338 0.9072 1.0562 1.0182 0.855 0.8323 0.9133 0.9231 1.1051 1.1338 1.0272 0.9559 0.9496 0.8636 0.8362 0.8541 1.0033 0.9918 1.0544 0.9749 1 1.1271 0.9049 0.9074 0.9846 1.0785 1.0946 1.0335 0.9867 0.9298 1.0584 1 0.9076 1.1189 1.1438 0.9798 1.0025 0.905 0.8921 0.8512 1.0009 0.9502 1.1113 1.1872 0.9952 0.843 0.9302 0.9201 0.9135 0.921 0.9575 0.9616 0.9012 1.0053 1.0434 1.0145 0.956 0.8694 1.0176 1.1135 1.0654 0.9625 0.9203 0.9698 0.944 1.018 1.0004 0.9869 1.0775 0.9023 0.9578 0.8652 0.9512 1.0169 1 1.0183 1.1614 1.0061 0.9924 0.8624 0.9031 0.9212 1.0494 0.9312 1.0593 0.9942 0.9564 0.9384 0.8855 0.9056 1.0191 0.9468 1.0471 1.0008 1.009 0.9389 0.8961 1.0091 0.8947 0.9164 1.0306 1.1944 1.116 0.8832 0.8424 1.0585 1.0923 1.0735 0.9942 0.921 1.0521 1.0445 0.9843 1.7565 0.9003 1.1047 0.9627 0.949 0.975 1.001 1.0388 1.0057 0.955 0.9899 1.0563 1.2471 1.119 1.0336 1.058 0.9674 0.9789 0.8394 0.7969 1.0054 1.0053 1.0865 1.0398 1.1644 1.0815 1.0167 1.0454 0.9912 1.174 1.0744 0.9509 1.0159 1.0671 0.897 1.0115 0.9906 0.9376 1.107 1.0642 0.9255 0.875 1.0782 1.1134 0.9896 1.0573 0.989 0.9364 0.9604 0.9207 1.0244 1.1054 0.9011 1.1608 1.0178 1.0369 1.0252 1.0205 1.1262 0.9034 0.7563 0.9411 glucuronate 0.9955 1.085 1.9763 1.0517 0.7047 0.784 0.7739 0.6458 1.3718 1.153 1.5038 0.9872 1.0577 1.3477 0.9737 0.9005 1.1308 1.2223 1.1537 0.8448 0.7614 1.7316 0.6795 0.8137 0.7451 2.0268 0.8566 1.2734 1.023 1.3074 0.8501 1.0954 0.9828 1.2103 0.9005 1.3409 0.9178 1.3156 0.7958 0.7267 0.7983 0.7758 0.7266 1.1332 0.8912 1.2809 0.9725 1.0826 0.6904 1.1918 0.975 1.1314 0.9348 1.5167 1.0911 1.3682 1.0533 1.3365 0.8566 0.5281 0.5873 1.2406 1.1178 0.8614 0.7743 1.1191 0.8372 0.9189 0.8238 0.936 0.755 1.4092 0.9563 1.5479 1.0189 0.9567 0.8824 1.16 0.7234 0.9296 1.1287 1.4096 0.9496 0.8689 0.735 0.7067 0.5394 1.9485 0.9404 1.8525 1.479 1.3795 0.9679 0.6994 1.0084 0.7702 2.2459 1.2702 0.85 0.848 0.7898 1.1476 0.7648 1 1.5356 1.0468 1.2572 1.0655 0.9318 0.7194 1.6194 0.6928 1.0968 0.793 1.0495 1 1.1987 0.8614 0.9313 0.6866 1.3454 0.8542 1.0309 0.9911 1.1946 0.877 0.8701 0.6177 0.6829 0.6297 0.939 0.9106 1.2894 0.7918 1.1079 0.779 0.9052 0.8343 1.2162 1.5704 0.8103 1.3633 0.7422 0.8061 0.534 1.1553 0.7082 1.3106 1.1254 1.5216 0.9325 1.0146 1.0754 0.8523 1.0505 0.6863 1.2713 0.7839 1.3199 0.9795 1.0574 0.7577 1.2339 0.9359 1.122 0.9726 1.2743 0.8672 1.306 1.3255 0.9723 1.7881 1.2197 1.3351 0.9562 1.7305 1.1141 0.666 1.0598 0.9134 1.523 1.085 0.9172 1.1346 0.7344 1.1041 0.9531 1.0845 0.6981 1.804 0.9659 1.2333 0.8572 0.8798 0.6666 1.6642 1.2829 0.8033 1.3622 1.0382 1.2186 0.8228 0.9154 0.7303 1.2942 0.7384 1.4345 1.4086 0.8239 1.1035 0.9317 0.7714 1.3939 1.07 0.9507 1.7941 0.985 0.9113 0.6482 1.4294 0.7418 1.2195 0.8376 0.7472 0.622 1.2893 0.9255 1.1109 0.7928 1.3445 0.861 1.14 1.1891 2.0748 0.8612 0.7151 0.7828 0.7592 0.6194 1.4084 1.0357 1 1.0608 0.9743 1.0955 1.8431 1.0806 1.5058 0.9915 1.3241 1.0512 2.2106 1.7541 1.3137 1.0358 1.0379 1.2548 1.1149 1.6732 1.3914 0.815 0.7416 1.0598 0.9183 0.915 0.7373 0.9942 0.7579 0.6193 1.0147 0.6718 1.7843 0.9395 1.006 1.1139 1.0168 0.651 3.9881 1.2866 0.703 1.2219 1.0586 0.9928 0.7276 1.0251 1.8608 1.1302 0.6081 1.2674 glutarate (C5-DC) 0.285 1.2998 0.454 1.6598 0.5259 0.3188 1.3423 1.3548 2.4529 1.9257 0.5457 0.4667 1.4955 0.5313 0.5514 0.5758 1.1119 1.1033 0.9981 0.5578 0.8391 0.3852 0.8756 0.52 0.5383 1.7705 2.2198 0.2659 0.7501 0.8137 0.7375 0.8748 0.6624 2.9148 1 0.3442 0.2748 1.2929 0.6469 3.2457 5.828 0.4413 0.6342 0.4395 0.3735 0.4341 0.3927 0.4418 0.4865 0.3823 0.4115 0.4605 0.6921 0.5904 0.4202 0.882 0.4269 0.9758 0.8112 0.4361 0.3644 0.466 0.9435 0.3821 0.2608 0.9219 1 0.5219 0.557 0.6187 0.4539 1.0131 0.8339 0.4339 0.3299 0.7121 1.0306 0.3656 1.5322 2.3327 1.2397 2.138 1.7529 0.7785 0.9621 0.4843 0.6251 0.9167 0.5884 0.4088 0.5254 0.5276 0.4442 0.4618 0.5502 0.5907 0.4753 0.6418 0.3437 0.4832 1.3745 0.4359 0.3552 0.3924 0.5399 0.7275 0.4976 0.4412 0.4794 0.465 1.089 1.0864 0.6354 0.3253 0.6667 0.5507 0.3892 0.722 0.2401 0.3556 0.6525 0.9622 0.3948 0.3469 1 0.4591 0.5237 0.4258 0.5026 0.3327 0.3038 0.4392 0.6829 0.476 0.8655 0.8545 0.8692 1.6337 0.5251 0.6245 0.3625 0.4382 0.3732 0.6235 0.722 0.745 0.6633 1.0019 0.452 0.6024 0.3788 0.524 1.7668 0.4677 0.4271 0.5551 0.3945 0.2379 3.2632 1.8702 1.6861 1.793 0.5276 0.4779 3.2118 2.6468 1.6616 1.3779 2.9256 1.5329 2.545 1.9865 1.0462 1.8058 1.5286 1.6512 1.7892 1.7347 1.8625 1.4625 4.2694 3.9286 1.507 1.3578 1.8298 1.8037 1.5917 1.2913 2.3007 1.2136 1.5419 1.2063 1.4068 1.5315 2.1707 2.2506 1.2783 2.1145 0.9565 1.7943 1.3091 1.3994 2.5641 1.4579 1.054 2.1431 1.8415 1.2233 1.1596 1.2468 3.4718 1.127 0.4815 0.6162 0.4205 1.8023 0.6524 1.2431 1.2056 2.8979 1.2802 1.4781 1.3495 1.645 1.1943 2.0817 2.8555 0.7662 0.4805 1.7693 0.9601 2.0261 3.0592 1.6914 1.0038 2.1871 1.5257 0.86 1.6346 1.3295 1.3509 1.3132 1.4353 2.2019 2.4976 2.3642 2.5459 1.9225 1.7167 2.8142 2.6883 1.9144 2.1107 1.5829 1.8625 1.5886 1.5144 1.9572 1.0993 2.6362 2.3412 2.1453 1.9159 1.7141 3.3004 3.953 1.6031 6.9041 1.8597 1.083 1.0396 2.415 1.6242 1.7195 1.4736 1.1017 2.0039 3.8131 3.03 2.8131 1.5145 0.5454 0.2796 0.4774 0.4499 1.1762 0.8925 1.1214 2.0483 glycerate 1.1437 1.6476 0.6506 0.7442 0.7163 0.5645 1.0661 1.0695 0.8746 0.9919 1.8204 1.4043 1.608 0.7241 1.0082 0.6174 1.8187 0.4165 0.3634 0.8695 1.1129 0.525 0.3969 0.9033 1.394 0.4914 0.8248 1.3281 1.267 0.666 1.1418 1.3105 1.4194 1.6177 1.0078 1.2896 1.0414 0.5695 0.7498 0.5172 0.6527 0.8106 0.9459 0.912 1.1512 1.5932 0.8285 1.014 1.0355 0.6423 0.6249 1.0755 0.8604 0.4602 0.9881 1.2685 1 0.5417 0.849 0.8141 1.0473 0.8537 1.2111 0.8664 0.9606 0.8268 0.9506 1.0398 1.1314 0.5927 1.792 0.5403 0.5009 0.9641 0.8013 1.835 1.05 0.9726 1.2528 0.988 0.8997 0.7233 0.7184 1.0168 1 1.8403 1.1498 0.8722 0.8209 0.8899 0.8399 0.5062 0.9672 1.2905 0.8617 0.8726 0.4698 1.3804 1.4881 1.3346 1.0345 0.9213 1.0106 1.2363 1.0664 1.0263 0.6668 1.0667 1.0178 1.1082 0.8257 0.915 0.9334 1.0958 1.1342 0.9164 0.6374 1.2041 0.8467 0.9509 1.1854 1.0823 0.8994 0.9038 0.8162 0.8705 0.9625 1.3609 1.1168 1.1576 0.8494 1.111 0.7918 1.1633 1.2539 0.6584 1.7699 0.7725 1.0081 1.3301 1.0653 1.0626 0.9825 1.1092 1.1484 1.4063 0.8422 1.4836 1.2682 1.8113 1.5819 1.6423 1.0124 1.1967 1.6937 0.994 0.6734 1.0321 0.8783 1.4535 1.2429 1.0244 1.0561 0.927 1.0476 1.1091 0.9621 0.9477 1.0786 0.718 0.4963 1.1242 1.5853 0.7404 1.0611 0.7918 1.0458 1.2277 0.9241 1.1536 0.782 1.0247 0.6844 1.0192 1.0928 0.6569 0.3921 0.8534 0.9881 1.209 0.9359 0.7109 0.4179 0.8595 0.5336 0.9588 0.915 1.0439 0.9408 1.0186 0.996 1.0978 0.7106 0.8265 0.6817 0.8697 0.5268 1.2222 1.6323 0.8974 1.063 1.0767 1.1354 0.9999 0.9277 0.7472 0.7509 0.6798 0.7254 0.815 1.0171 1.2036 1.0932 1.1656 1.0808 1.248 1.1171 1.0706 1.0717 0.7925 0.7353 0.765 0.9199 1.5177 1.0442 0.8369 1.0883 0.9854 0.9363 1.1716 0.8503 1.1152 1.1103 0.7712 0.5736 1.2925 1.0116 1.2575 1.5497 0.8106 0.9595 1.5644 1.7432 1.4867 1.052 0.9153 1.0414 0.9031 1.4214 1.1179 1.0368 0.9723 0.7128 0.8931 1.0391 1.1723 1.113 0.6442 1.0853 0.8224 1 1.454 1.0749 1.1168 1.2027 0.8349 1.9908 0.6844 0.9835 0.7409 1.6161 0.7118 1.4894 1.0098 1.2878 0.8851 1.4981 0.5926 0.5783 gulonate* 1.2451 0.6185 2.4824 1.0273 1.0731 0.9573 0.9504 0.6606 1.6367 0.826 1.8157 1.167 1.3191 1.5448 0.176 1.5453 1.2524 1.1272 0.7644 1.2314 0.9061 1.022 0.4724 0.7739 0.176 1.072 0.5467 1.5223 1.2422 1.892 0.387 1.1448 0.8744 1.7872 0.6603 1.6255 0.8181 1.0352 0.6837 1.5779 1.3802 1.5619 0.739 1.6282 0.5176 1.4493 0.4436 0.9734 1.1043 0.746 0.468 1.0568 0.7329 0.9345 0.8592 2.9385 0.8978 0.9893 0.8567 0.6651 0.9996 1.249 0.8109 1.6193 0.736 0.6646 0.1998 1.2437 0.612 1.1297 0.9075 1.5512 0.8338 1.1846 0.3318 0.9413 0.7559 0.7929 0.601 0.9929 0.5837 1.6161 1.0402 1.5725 0.5656 1.3363 0.6221 1.3148 2.4253 1.1376 0.6416 1.4534 0.8695 1.1967 0.7465 0.6051 1.6698 1.4267 0.6586 0.9578 0.8387 1.0396 0.5168 1.1562 1.7233 0.7619 1.6463 1.0366 1.2346 0.5115 1.0271 0.6741 0.7697 0.424 1.1428 0.9613 1.0499 1.0656 1.5117 0.7552 1.3224 1.2737 0.8882 0.3989 1.2614 0.3966 0.8169 0.6183 0.8174 0.498 1.5659 0.7615 1.0239 0.7167 0.3633 0.7855 0.8709 0.2471 1.0933 2.6412 1.1464 1.2672 0.8211 1.3506 0.7967 0.6316 0.4878 2.0946 0.8346 2.2192 1.1373 1.6203 1.2516 0.6762 1.0316 0.3691 1.2176 0.5984 1.8839 0.7862 2.1288 0.7103 2.2333 1.114 1.0774 0.7478 0.731 0.3878 1.7866 1.6085 0.2756 1.0468 0.5343 1.8582 1.0004 1.0465 1.9409 0.6092 2.7589 0.4441 1.3932 0.8093 0.865 0.9215 0.31 0.7195 0.4157 0.8127 0.5311 1.1233 1.2356 2.0502 0.9877 0.98 1.1317 1.9201 1.2803 0.9653 1.8764 1.1502 1.2936 0.6095 1.0071 0.7041 1.2064 0.7682 2.7405 1.4376 0.6697 1.3221 1.9032 0.9835 1.2676 0.7985 0.892 1.5726 0.8718 1.4832 0.8985 1.8314 1 1.478 0.5238 0.7712 0.3008 1.3428 0.7848 1.2723 2.8174 0.9177 0.748 1.3169 0.9756 2.2138 0.6676 0.4316 0.7766 0.7831 0.7864 1.9886 1.0443 0.9858 1.4397 1.0425 0.9793 3.002 0.6901 1.9072 1.1522 1.4362 0.4735 2.0406 0.771 1.2554 0.8083 0.9174 0.995 2.1752 1.3306 1.4045 1.2733 0.7892 1.016 1.1856 1.1144 0.5854 1.1625 0.6561 0.4347 0.8198 0.5766 1.0698 0.7184 1.6514 0.885 0.8796 0.176 1.389 1.905 1.0429 2.222 1.2042 1.6351 0.5653 1.1133 1.2684 0.8688 0.6359 1.2895 heptenedioate (C7:1-DC)* 0.5467 1.528 1.3285 0.7457 0.8475 0.4886 0.8734 0.5073 1.7702 1.4439 2.125 1.2209 2.0282 1.165 1.1947 1.2398 1.0096 1.1692 0.8605 0.7091 0.9445 0.6497 0.7697 0.8719 0.684 0.8304 0.894 0.7722 1.0192 0.5339 1.4402 0.6621 0.9973 0.6493 0.7946 1.582 0.5816 2.0065 1.7338 0.1471 0.5246 1.2408 0.6631 1.0112 0.598 1.4065 1.1256 1.4914 1.1126 1.7051 1.4193 1.5934 1.2423 1.1186 1.0338 3.5527 2.2637 1.6405 0.8907 0.7397 0.5043 0.9393 0.6115 1.3057 0.9381 1.5119 0.4187 0.9343 1.4647 2.1375 0.9904 2.7129 1.112 0.8913 1.2092 1.0607 0.426 0.6885 0.9689 0.4894 0.5937 1.0723 0.5524 0.3503 1 0.885 0.9538 1.7206 0.1471 1.8352 2.1104 1.3046 1.0055 0.8051 1.7202 1.4507 0.7497 3.0827 0.5935 1.2985 1.0205 0.3632 0.4975 0.5342 1.5223 2.0229 1.4078 1.4069 2.228 1.1342 0.9513 0.7588 1.3619 0.4761 0.9932 1.0529 1.307 1.3454 1.4285 1.5252 1.0205 0.7157 1.0235 1.0948 0.9157 1.1578 1.2361 1.5386 0.7376 0.5896 0.5377 0.7493 1.6708 1.1365 0.7727 0.592 0.8307 0.4949 2.6171 3.2353 1.8129 1.2742 0.9943 1.4468 1.0637 1.1999 0.5203 0.8945 0.5886 0.682 0.3032 1.077 1.4755 1.6877 0.5766 0.8649 0.4476 0.4064 0.7924 0.8416 0.866 0.9306 1.7897 1.0703 1.0735 0.5366 2.0485 1.3328 0.4589 1.1507 1.657 0.5343 0.65 2.419 0.9844 1.1031 0.9832 1.1393 0.9385 0.7119 0.4477 0.4569 0.7422 2.2467 1.1364 0.9203 0.9133 1.1592 0.9353 1.3728 0.8294 0.8105 0.539 1.9885 0.9428 1.664 2.0615 1.1572 0.6109 0.393 0.9883 0.986 1.002 0.4299 0.6554 1.1706 0.804 0.7806 0.9879 1.0788 1.7435 0.9334 0.6879 0.3365 1.7562 1.0159 0.7799 3.0524 1.2783 1.6189 0.7055 0.7443 0.8026 1.5545 1.3599 1.48 1.135 1.038 0.1471 0.6014 0.6368 1.1881 0.8635 1.1773 0.63 1.1641 0.4419 2.2407 0.6156 1.5988 0.6987 1.3055 0.9595 0.647 0.476 1.535 1.0351 2.1465 0.8685 1.2832 1.3886 2.1869 0.672 1.8945 1.6473 1.2504 0.5412 0.8794 0.3585 0.9945 0.928 1.0497 1.0006 0.7434 1.1001 0.649 0.9762 0.9479 1.0632 1.2325 1.351 0.9485 1.5012 1.2362 0.804 1.4214 0.8451 1.2848 0.9154 0.5807 1.6258 1.2564 1.6196 0.9817 1.6712 1.2246 0.8373 0.54 0.5631 hydantoin-5-propionate 0.2302 0.2302 0.2302 0.2302 2.1377 1.0261 1.1338 0.6433 1.3934 0.2302 0.5464 0.2302 0.3925 0.693 0.2302 1.1405 0.5872 3.0841 1.8365 0.4735 1.1261 0.5453 0.2302 1.0893 0.2302 0.2302 0.2302 1.3795 0.5422 0.2302 0.2302 0.2302 0.2302 1.18 0.8321 1.1818 0.2302 0.9901 0.471 0.2985 0.2302 1.7764 1.0078 1.5022 0.2302 1.9164 0.5436 1.5514 0.6864 1.0438 0.2302 2.0071 1.2516 1.7685 1.6289 1.6465 0.7898 1.6044 0.2302 1.482 0.6191 1.4229 0.2302 0.2302 0.2302 1.638 0.2302 0.8596 0.8187 1.5511 0.8318 1.4627 1.0044 0.2302 0.3081 0.5964 0.2302 0.7911 1.5709 1.542 1.7525 0.8399 0.2302 0.2302 0.2302 0.2302 0.2302 2.0662 0.2302 5.6049 2.0618 1.8745 0.4797 0.5794 1.7539 1.0424 0.3984 0.7676 0.2302 1 0.2302 0.2302 0.2302 0.9804 1.5101 0.3719 0.9063 0.2302 1.2686 1 1.2463 1.0274 1.9623 0.4383 1.1082 0.6262 0.5533 0.2302 0.2302 0.7732 1.6707 0.9168 0.9788 0.8632 1.1724 0.4801 1.1461 0.2302 1.108 0.5426 2.0089 1.1486 0.2302 0.2302 0.4116 0.2302 0.2302 0.2302 1.3177 0.5552 0.3674 2.1415 0.5231 0.807 0.3609 2.5253 0.5331 1.9585 0.2302 0.8838 0.2302 0.8303 0.5296 0.2302 0.2886 0.4139 1.9774 0.6436 0.6585 1.2285 1.5454 0.9474 2.38 1.4214 1.5397 0.2302 1.0817 1.2427 0.4624 0.2302 0.2302 0.352 0.4444 1.1492 0.2302 0.8891 0.2302 0.5388 0.7195 0.5122 1.0212 0.2302 1.0042 0.2302 0.2302 2.1459 1.2523 4.0054 0.382 0.2842 0.8979 0.4017 0.2302 1.5228 0.4981 1.5228 0.2302 0.2302 0.2302 0.2302 1.1262 0.2302 0.2302 0.2302 2.0919 1.0223 1.4616 1.0386 0.9715 1.285 0.7537 1.1579 0.2302 0.2302 1.2174 0.9741 0.7624 0.8515 1.1622 1.9671 1.2161 1.0144 0.4451 2.1524 1.0363 1.417 0.3991 1.2322 0.2962 1.1775 0.2302 1.0088 0.436 0.9521 0.2302 0.2302 0.2302 0.8903 0.9274 1.3299 1.1293 0.9271 0.2302 1.5177 0.249 0.8889 0.5508 1.7098 0.2302 0.64 0.2302 0.4524 0.2302 1.3968 0.4176 0.6286 0.4638 0.8888 0.4404 0.2302 0.2302 0.6734 0.7542 0.2302 1.0712 0.2302 1.893 1.2604 0.2302 1.218 1.1613 0.2302 0.3786 0.5351 0.3286 0.9212 0.3449 1.8552 0.5717 0.3817 0.2302 0.6593 0.7373 1 1.26 1.1682 0.3669 0.744 1.1531 lactate 1.0901 1.1955 0.7864 1.1582 0.8855 0.7802 0.9923 1.2096 0.9751 1.3444 0.9368 0.8616 0.985 1.2838 1.1953 0.6772 1.2497 1.2763 1.2905 1.0383 1.5579 1.7346 1.1228 0.6793 1.2702 1.3062 1.1349 0.901 1.1381 1.1914 1.0636 0.5313 0.7399 1.2291 0.5964 1.0896 1.1788 1.0266 0.5644 0.8146 0.7122 0.5595 0.9189 1.0169 1.1177 1.0016 1.0153 1.1559 1.4553 0.7561 0.9527 0.8692 0.8359 1.0543 1.0474 0.921 0.6093 1.118 0.8025 0.6859 1.5658 0.99 1.1374 1.0882 0.9831 0.9984 0.9479 0.8271 0.8383 0.9219 1.033 1.3927 1.4053 1.1042 0.7739 0.685 0.7275 0.8585 0.6909 1.0938 1.3286 1.0343 1.1902 0.8066 0.9421 0.8443 0.7589 0.774 1.4916 0.7504 1.0678 1.2197 1.131 0.7513 0.8329 0.7642 1.2692 0.7062 0.8608 0.7532 0.6751 0.8427 0.6037 1.2204 0.9865 0.9752 0.6013 0.9303 0.8995 0.9264 1.0579 1.0723 0.9866 0.8971 0.6317 0.6322 0.8448 0.739 0.5178 0.7771 0.6622 0.9661 1.0078 0.6034 0.8974 0.6904 0.9468 1.0006 0.7327 0.899 0.8168 1.2464 0.9404 1.242 0.7772 1.468 0.7969 0.9528 1.105 0.9587 1.1362 1.2206 1.375 0.9321 0.9253 0.6502 1.4652 1.3615 0.9869 1.1125 0.9946 0.7095 0.9771 0.7511 0.7728 0.8742 1.6051 1.4621 1.0868 1.3051 0.9681 0.8413 1.0028 0.9368 1.0925 1.2817 1.1826 1.0998 1.3198 0.9013 1.2399 1.0447 1.6978 1.043 1.2816 0.97 0.8154 1.0402 0.8098 0.8954 1.1468 1.4423 0.8038 1.0372 0.9739 0.8403 1.216 1.2729 1.7211 0.983 1.3452 1.0921 0.9484 0.9325 0.8243 0.9131 1.114 1.1651 1.4283 1.1 0.7719 0.9196 0.7722 0.8905 1.3862 0.8067 1.0184 0.8029 1.1134 1.6975 0.9072 0.987 1.1144 1 1.0433 0.6572 1.1007 0.9712 0.9598 0.5576 0.8598 0.7679 1.2802 1.0688 1.1516 1.0247 1.2319 0.9028 1.0229 0.8535 1.0045 0.8177 1.1032 0.8303 1.3629 1.0094 1.0053 1.0496 1.148 0.8038 1.2103 0.758 1.1786 0.8909 0.9943 1.4238 1.1361 1.3998 0.9221 1.4961 1.1966 1.2053 1.0837 1.2416 1.1683 1.2418 1.6717 1.0829 1.0794 1.3674 1 1.3422 1.0389 1.4355 1.0708 1.3443 1.3148 0.7331 1.0788 1 0.9705 1.2005 1.1488 0.763 0.6623 1.1206 1.1001 1.0665 1.3728 0.9618 1.078 0.7089 0.9769 0.8101 0.9054 1.1703 0.8071 0.5297 0.9022 maleate 1.2505 0.482 2.0456 0.9617 1.0671 1.0151 0.7629 0.5808 1.0005 0.4027 1.3704 1.8603 0.8042 5.7986 3.7203 0.9555 1.3613 1.0481 0.7424 1.5022 1.4155 1.9165 1.4693 1.305 1.2483 1.2126 0.5884 1.4114 1.3548 3.5121 1.3143 1.4608 1.284 1.8374 0.9692 1.3555 1.1385 1.3153 3.9935 2.0749 1.5983 1.221 1.591 1.2111 1.3479 1.2888 1.0943 1.178 1.1514 1.1878 1.2366 1 1.137 1.3388 1.3312 1.2182 1.6581 0.6676 1.2964 0.7504 1.0426 1.157 6.5682 0.8755 0.9556 0.6131 1.1145 0.6873 0.8046 1.335 0.7536 0.7841 0.7298 0.9138 0.6292 0.5742 0.6495 1.8135 0.5655 1.2422 0.5472 0.7769 0.7266 1.2968 1.2326 1.0025 1.6855 1.0166 1.461 1.4913 1.5493 1.3439 0.9522 1.4055 2.6828 3.2381 1.8616 1.5347 0.9575 1.4495 1.1814 1.102 1.3618 1.3822 1.5603 1.047 1.3754 1.6608 1.5788 0.9952 1.2629 1.1498 1.4668 1.0534 1.1279 1.26 1.6238 1.1715 1.6985 0.9398 1.217 1.3835 0.9742 0.7615 1.3389 1.4005 1.1148 0.9896 1.1955 1.1582 1.233 1.5753 0.8526 1.5371 0.606 1.086 0.6209 1.0334 1.1292 1.0721 1.3637 1 0.9505 0.9926 1.0825 1.4909 1.0837 0.9335 1.3023 1.0421 0.5742 0.9667 3.9883 0.6468 1.238 1.1373 0.6589 0.5932 1.0797 18.979 0.8512 0.5983 1.7351 1.2965 0.775 0.4939 1.4669 1.4454 0.68 1 0.7024 1.117 0.8488 0.7083 0.7016 0.7931 1.1246 0.6153 1.0313 0.6845 0.7882 0.6036 0.4793 0.9276 0.7337 0.6912 0.7088 0.9768 0.778 3.7436 0.6628 0.8674 0.8396 1.1375 0.7856 1.1319 0.7468 0.731 0.7918 0.6568 2.5954 0.509 0.8484 0.5758 0.9131 0.7568 0.6278 0.6436 0.4865 4.742 0.706 0.5722 0.7461 1.7547 1.0417 0.8098 0.46 1.0489 1.1249 0.8586 0.8406 0.624 0.5705 0.6901 0.7861 0.8984 0.8051 1.8699 0.9656 1.0657 0.5136 0.6722 0.4554 1.4202 0.7472 0.6256 0.5719 0.8201 0.7788 0.774 0.5525 0.6977 0.7243 0.6894 0.6972 1.3302 0.5985 0.9502 0.5855 1.1568 0.611 0.9056 0.5572 0.9256 0.917 0.783 1.1677 0.6412 0.7672 0.8836 0.8967 0.8016 1.0239 0.6902 0.611 0.6217 0.7512 0.8295 0.8928 0.7265 0.9284 0.873 0.4395 0.9179 0.5974 4.6385 0.8841 1.3813 1.2916 0.5223 0.9414 2.0409 1.2731 1.073 1.4123 1.304 0.6226 0.3718 0.5826 maltose 1.3039 1.8261 1.6803 0.2672 0.2672 0.2672 0.2672 1.8075 0.2672 1.6024 0.2672 0.2672 1.1872 1.1489 0.92 0.8854 1.5365 1.4514 1.7732 1.5357 3.288 0.2672 0.553 0.7241 1.2185 1.6355 0.961 0.8939 0.64 0.5812 0.8162 0.2672 0.2672 0.7521 0.5182 2.2027 1.8953 0.6071 0.2672 0.2672 0.2672 0.9103 0.2672 0.2672 0.2672 1.3465 2.3701 0.2672 0.2672 1.2873 0.9618 0.7026 0.8191 0.2672 0.9013 2.4418 0.2672 0.2672 0.2672 0.2672 1.5511 0.2672 0.3898 0.2672 1.2834 0.2672 0.2672 0.2672 0.2672 1.297 2.3715 0.5613 0.2672 0.2672 0.2672 0.2672 0.2672 2.8574 0.2672 1.8163 0.565 0.2672 0.2672 0.2672 0.2672 0.5387 0.2672 1.3629 1.3111 1.2857 3.048 0.8072 0.2672 0.4564 0.2672 0.2802 1.1014 0.2672 0.2672 0.2672 0.2672 0.5053 0.2672 2.7583 1.91 0.6972 0.2672 0.2672 0.8892 0.921 0.2672 0.7124 0.9561 0.2672 0.2672 0.2672 0.2672 0.2672 0.2672 0.2672 0.8437 0.502 0.2672 0.2672 2.3369 2.218 0.7763 0.9309 0.2672 0.2672 0.2672 0.713 0.2672 0.8483 0.2672 0.2672 0.2672 0.2672 1.0311 0.4152 0.2672 0.4433 0.4963 0.9512 0.2672 0.7507 1.0397 0.7537 0.2672 0.2672 0.2672 0.2672 2.3578 0.2672 0.9516 0.5254 1.1663 0.2672 0.7295 0.2672 0.2672 0.2672 0.6866 0.6116 2.9803 2.3828 2.9046 0.6197 1.0494 1.2654 1.1053 1 1.3393 0.8654 0.3543 1.2386 0.5307 0.2672 2.1996 2.1348 1.3352 1.8023 0.2672 0.8638 0.9157 1.8916 3.2929 0.8409 0.8871 0.2672 2.1925 1.65 0.9046 2.4745 0.2672 1.8587 1.3332 1.4766 0.2672 0.2672 0.2672 0.2672 0.9187 1 1.8407 1.2527 1.5961 0.2672 0.2672 3.3698 0.2672 0.2672 1.0758 1.4848 0.2672 0.6885 0.7397 1.0579 0.5337 0.9425 0.8428 0.7096 1.9659 0.2672 1 0.7234 0.2672 0.2672 0.2672 0.77 0.4793 2.2965 2.0177 0.2672 0.2672 0.2672 0.2672 4.5475 2.1184 0.2672 0.2672 0.2672 0.2672 0.2672 0.2672 0.2672 0.7812 0.2672 0.2672 2.3845 0.2672 0.9637 0.2672 1.0993 0.2672 1.7003 1.6969 0.6249 1.5758 0.2672 0.2672 0.2672 0.9854 0.7316 1.5215 0.924 0.8501 0.7254 0.9477 1.4701 0.9728 2.2416 0.9603 0.2672 0.2672 1.5594 2.1974 0.6011 0.8601 0.2672 1.7053 0.8048 1.964 0.8133 0.2672 0.2672 0.5271 0.2672 0.2672 mannitol/sorbitol 0.6611 1.9859 5.8599 0.7423 0.8074 0.6487 1.0429 3.1454 1.4372 1.0131 1.6008 1.2744 9.4705 2.7161 1.9655 1.4495 1.3214 0.8308 0.5433 0.6435 0.5424 0.9116 0.5029 17.0258 7.2955 0.6467 0.5248 1.0513 0.8326 1.471 0.6576 13.1726 2.1789 2.4864 0.6005 3.7458 1.2339 1.0085 6.2347 1.1495 0.5444 1.0656 0.6067 1.9075 1.6479 0.9688 1.0643 4.3843 1.1037 0.5619 0.4575 0.9619 0.5634 0.6692 0.5155 1.2379 4.8125 0.9706 0.5731 0.6312 0.6563 1.6787 1.3515 1.3172 0.6332 1.9057 0.7096 1.2827 0.8216 3.2667 0.5682 0.8615 0.6135 1.0133 0.5218 1.5944 2.0868 10.328 0.7069 1.0356 0.7508 0.8439 1.6104 1.0442 0.5021 0.6921 0.5971 1 2.123 4.2005 1.913 1.6323 0.5191 0.683 0.8043 0.7885 2.0339 0.8763 4.1367 0.829 1.2752 16.0784 1 3.1209 1 0.7653 1.9377 1.245 0.9709 0.5113 5.8552 1.1295 0.8776 0.6258 1.0624 0.6588 0.8231 0.5873 8.7224 0.5388 1.1587 1.4626 1.9012 0.3743 0.6306 0.3562 1.7493 0.6716 5.2739 0.5174 0.9362 0.6487 0.9496 0.5358 0.7713 0.5697 0.4395 0.5733 1.8969 0.6655 0.5723 2.4561 0.9699 0.8742 0.4878 5.8354 4.1394 1.6628 2.0451 6.3005 3.8998 1.0319 2.7653 0.4553 3.9101 0.6508 3.3266 1.7325 8.0543 2.8797 0.6909 0.6852 2.4521 0.7479 19.0729 21.4861 0.9508 5.7155 0.9858 0.8427 0.5112 0.9942 0.6646 1.1624 1.0238 8.182 1.1568 1.0348 4.8166 0.6757 3.3029 0.6658 1.105 0.6339 0.6971 0.7083 0.6085 0.9318 0.5545 0.7878 5.07 1.8852 0.6132 0.9224 1.0796 0.654 5.2922 2.4302 1.9654 9.3771 15.9782 0.7048 0.6019 0.7904 1.3038 0.8294 1.0679 1.2105 0.7723 1.0962 0.8291 0.7944 0.7591 0.532 1.3241 1.1031 0.9321 1.1296 1.1428 2.25 0.9173 0.7646 1.1414 0.5673 0.5725 1.925 1.177 0.71 0.8584 0.8716 1.2508 1.023 0.5695 1.48 0.8084 0.5261 0.888 0.5651 1.1009 0.7464 1.1065 0.6755 3.1936 1.3696 2.9025 18.977 0.5297 0.8897 0.6025 1.3295 1.6637 0.8835 5.8081 1.0842 0.7945 1.0015 1.1954 1.7112 0.5953 1.278 0.789 0.7445 1.9916 0.9904 0.9431 0.5974 0.7081 0.6873 0.5792 0.7572 0.6026 1.0588 4.079 10.9036 6.9663 2.3989 0.5069 1.3424 1.5212 0.8392 10.5626 1.3375 3.8149 0.5474 0.867 6.2699 0.4789 0.7391 1.1608 mannonate* 1.0026 0.9202 1.0962 0.7147 0.9533 0.6937 0.821 0.4644 1.6073 1.5357 1.5251 1.1586 2.2445 1.7661 2.5448 1.317 1.6411 1.2689 0.9146 0.8871 1.1979 0.9086 0.6202 0.8517 1.0521 1.0047 0.9986 1.9057 1.3928 0.9183 0.9638 0.8217 0.9453 3.1924 0.7971 1.8448 1.4234 1.1972 1.01 1.273 0.9982 0.9371 0.7759 1.4313 0.9458 1.7214 0.9474 1.569 1.1396 0.8816 1.1163 0.9703 0.8452 1.4011 0.9868 1.1738 0.8755 1.2098 0.9272 0.8744 1.2593 1.3362 0.9365 0.9726 0.8802 1.1771 0.6946 0.7771 0.6415 1.4928 1.355 1.9869 1.6762 0.9446 0.687 0.9009 0.7486 1.0854 0.921 0.9346 0.6596 1.1211 0.8227 0.8091 0.7242 1.9441 0.6412 1.2369 0.7943 0.9612 0.7611 1.1383 0.9585 1.3851 0.9745 0.7769 1.9305 1.104 0.6954 1 0.8525 0.8181 0.7081 1.0668 2.0807 1.0394 1.5238 1.1701 0.94 0.9444 0.9637 0.6856 0.9124 0.7439 1.1915 0.9443 1.2552 0.9737 1.2248 0.6885 1.0728 1.2558 0.7548 0.6917 1.5427 0.899 1.3127 2.045 0.8511 0.8214 1.393 1.11 1.189 0.8843 1.0792 0.7 0.9934 0.7772 1 1.5963 1.2446 1.4143 0.8768 1.2698 0.9595 1.0366 1.0028 1.9769 1.1639 0.9914 0.691 1.1407 1.1007 0.6594 1.2507 0.5957 1.0441 1.0858 0.8858 0.8164 0.8655 0.746 1.6832 1.0915 1.6054 1.0774 0.9051 0.9252 1.3108 0.9411 0.8386 0.9698 1.1521 1.347 0.9137 1.1113 1.2741 0.9164 0.7566 0.6672 1.0763 1.0516 1.0861 0.6296 0.6661 0.6448 0.5676 1.1116 0.6719 0.9995 0.9754 1.2202 0.5807 0.9233 0.7237 1.5925 1.2515 0.7068 1.0003 1.2302 1.3594 0.9137 0.8707 0.8141 1.0677 0.9566 1.2929 1.3881 0.9779 1.0268 1.1697 0.941 0.932 0.9274 1.3449 1.3121 0.9347 0.8328 0.589 1.1845 0.9057 1.5336 1.1571 1.404 0.9525 1.5706 1.0898 1.5428 0.9989 0.8654 0.7429 1.1299 1.181 1.1341 0.8149 0.7691 0.5983 1.0277 0.754 1.5808 0.9036 1.065 0.7805 1.2893 1 1.4279 0.9864 1.8471 1.2165 1.3925 0.9077 1.784 1.4914 1.4292 0.868 0.8706 0.9889 1.4879 1.301 1.1334 1.604 0.684 1.5119 1.6123 1.0113 0.7834 1.2328 0.744 0.8963 0.9951 0.9918 0.8779 0.9588 1.2437 0.7441 1.0667 3.0839 0.7847 1.3155 1.0028 2.3236 1.3925 1.7989 0.8306 1.4009 1.0503 1.0223 0.6152 1.1129 mannose 0.7988 1.0589 1.0828 1.1666 1.1239 0.8816 0.9204 0.4278 1.279 1.526 1.2715 1.3336 1.168 1.2854 1.5014 1.2281 0.7605 1.306 0.9363 1.2132 1.4969 0.9339 0.959 0.7911 1.0888 0.8674 1.5045 1.1515 1.2851 1.1058 1.258 0.8846 0.9528 1.0531 0.9602 1.1339 1.4099 1.0699 1.6146 1.1259 0.767 1.0598 1.0123 0.943 1.3635 1.2923 1.2496 1.1359 1.3712 0.9938 1.0494 0.8775 1.0928 1.5161 1.406 0.6485 0.946 1.1322 1.0079 1.1103 1.0203 1.241 0.528 0.7234 1.0651 1.5131 1.2491 0.6626 0.6795 1.1539 1.2986 1.1286 1.1394 0.9275 0.801 0.8629 0.8629 0.7155 1.2588 0.86 0.8823 0.8355 1.0647 0.6668 1.0311 0.8385 0.7964 1.4386 0.7474 1.1058 1.0601 1.2506 1.344 0.8492 1.0354 1.1242 1.3005 1.1586 0.9239 0.8895 1.0415 0.7774 0.827 0.988 1.0302 1.2683 1.2314 1.3328 0.8368 0.8754 0.7543 0.8955 0.7272 0.7495 0.796 1.1974 1.0894 1.0747 0.8252 0.842 0.698 0.9212 0.8062 1.2108 0.9971 1.4051 1.1537 1.1185 0.8024 0.8938 1.3037 1.2061 0.9896 0.9105 0.779 0.7448 0.9889 0.86 0.7051 0.9768 1.3231 1.0668 0.9362 1.064 1.3712 1.024 1.2466 0.9175 0.9272 0.8637 0.7994 0.657 0.4902 0.8884 0.9973 0.8613 1.1527 1.1227 0.5013 0.3959 0.8161 1.0598 0.9964 1.007 1.3402 1.098 0.9317 1.2411 1.0119 1.1537 1.0404 0.8705 1.0673 0.8129 0.6747 1.2245 1 0.9335 0.6563 0.7703 1.2833 1.2487 0.9842 0.8002 0.7853 0.7586 1.1354 0.9925 0.8304 1.2647 1.1119 1.0574 0.7316 0.7752 0.8373 1.0571 1.0287 0.6095 0.9189 1.2053 1.0544 1.1247 0.735 0.9762 0.9748 1.1391 1.0165 1.1383 1.0811 0.6978 0.7643 0.8081 0.8036 0.9613 1.1588 1.5812 1.2177 0.5675 0.5006 1.1323 1 1.0435 0.9038 0.9939 1.1815 0.9975 0.919 1.2508 0.8131 1.0146 1.1923 1.2246 1.4617 0.9573 0.9214 0.9881 0.8879 1.3634 0.9449 1.1507 0.91 0.8288 0.8525 1.148 1.223 0.7754 0.9979 1.0063 1.1455 1 0.8232 1.0053 1.1691 0.8749 0.8938 1.1256 1.1223 0.9351 0.7315 0.7967 0.95 1.0333 1.4891 1.2086 0.7645 0.8315 1.2492 0.8044 0.6854 1.1251 1.3255 0.8675 0.8765 0.7417 0.7056 1.0353 0.8159 0.7748 0.9285 1.2305 0.997 1.0985 1.2227 1.1501 0.8959 0.7635 1.1399 0.6614 1.3977 methylmalonate (MMA) 1.2035 0.9407 1.5003 1.0161 0.8224 0.6653 1.9616 1.6136 1.3989 1.1446 1.6394 1.143 1.177 0.7915 0.5893 0.8534 0.6422 1.4005 1.1304 1.5143 1.0269 1.0079 0.6604 1.1027 0.9936 0.9358 0.7651 1.173 0.8028 0.5677 0.7149 0.9604 1.0092 0.6475 0.8039 1.5884 1.0634 1.2247 0.8726 3.0861 4.4978 1.1464 0.9883 2.8626 1.5387 0.6598 0.5361 0.5399 0.329 0.8643 0.5304 1.1943 1.0999 0.8483 0.5922 1.3444 0.9152 1.7418 1.5651 1.0752 1.1345 1.4589 0.9997 1.2617 0.8864 1.3024 0.7686 0.9442 0.7395 0.7584 0.6658 1.0502 0.8154 1.1091 0.7907 0.8904 0.6979 1.0643 0.8475 1.598 1.363 2.0401 1.3579 1.4767 1.0566 0.886 0.5902 1.2931 1.1227 1.123 0.7924 0.8892 0.6423 0.5954 0.8937 0.6881 1.2312 1.3866 1.0738 1.2704 0.96 0.707 0.4781 1.1813 1.9227 1.1516 1.0186 0.6862 1.0061 0.817 1.922 1.4088 0.8215 0.5381 1.6246 1.3805 1.8424 1.0553 1.5924 0.9742 1.3477 1.2363 0.8779 0.6197 1.019 0.665 0.7916 0.7349 0.9024 0.798 1.0631 0.7426 1.7154 1.2442 1.7663 1.1959 0.6821 0.6261 1.5045 1.2227 0.81 0.9703 0.8121 1.6781 1.7082 1.5951 1.1829 1.7169 1.381 1.4404 1.0326 0.9725 4.3649 0.969 1.3126 0.8998 1.0288 0.8233 1.5371 1.3443 1.917 0.9395 1.0324 0.7513 0.9034 0.5371 0.7337 0.7397 1 1.1126 0.7784 1.163 1.5589 1.0746 0.9864 1.4026 1.0459 0.7111 7.5645 4.733 1.1761 0.8363 1.278 0.8658 0.6822 0.6239 0.6275 0.9331 0.7665 0.5096 1 1.109 0.716 0.7467 0.6159 1.4912 0.8142 0.5406 3.1688 2.4065 0.8644 0.5547 1.4797 1.219 1.0261 0.7006 1.3974 1.1227 0.9752 1.1174 1.2079 1.1401 0.5849 0.4535 1.3901 1.4079 1.0918 1.0566 0.8427 1.0908 1.1622 0.9364 0.7217 1.376 0.8537 1.4531 0.9084 1.0681 0.5503 3.9814 2.6754 0.6697 0.4875 1.3517 0.7611 1.1624 0.7185 1.1565 0.8858 0.872 0.7798 1.1067 1.2301 0.9064 0.5653 1.1447 0.825 1.1002 0.8206 1.201 0.7991 0.8793 0.7056 1.1153 0.6902 0.8819 0.8546 1.0201 0.8885 0.81 0.5754 0.7713 1.3335 0.9789 0.7144 0.4273 0.9038 1.0417 0.7983 1 0.3819 0.8422 0.7139 0.7734 0.5669 0.8176 0.6761 1.1993 2.2172 1.2967 1.2263 1.2387 1.6591 0.6714 1.3369 2.0447 0.8012 0.946 1.444 methylsuccinate 0.7365 0.7284 1.0947 0.6983 1.5488 0.9115 1.1648 1.1555 1.5802 0.767 2.0557 1.2544 1.4755 1.5242 1.2517 1.145 1.0402 1.6896 1.1332 1.1482 0.8049 1 0.7729 3.2714 0.9363 0.9295 0.6841 1.7667 1.1528 0.5609 0.8976 1.3738 1.5418 1.01 0.515 1.3717 0.8546 0.8833 0.7473 1.1287 0.9512 0.9962 0.7702 1.7597 1.0629 1.2546 1.0039 1.1632 1.0624 0.8578 0.7701 1.275 1.4833 1.1201 0.7639 1.4844 1.2414 0.9743 0.7967 1.3695 0.9373 1.9919 2.0903 1.1078 0.9209 0.7836 1.1587 1.5542 0.6763 0.839 0.5979 1.1511 0.7243 1.1048 0.8305 0.8716 0.839 1.4799 1.2617 0.829 1.124 0.9407 0.7029 0.7869 0.6843 0.8366 0.7703 1.0408 0.7527 1.4328 0.8819 1.1855 0.774 1.026 1.1652 0.9532 1.8299 1.4535 0.9009 1.1635 0.796 1.1378 1.0705 1.3131 1.2448 1.2146 0.8404 1.061 2.0506 1.374 1.5728 1.5833 1.0298 0.4997 0.9702 0.8551 0.9189 0.4391 1.2516 0.912 0.8296 0.6948 0.9337 0.8758 0.9652 0.6772 1.0157 0.7491 1.181 0.818 1.3522 1.1443 1.9199 1.3107 0.7409 0.834 0.8611 0.8518 1.6622 1.1383 1.1171 0.879 1.0102 1.0876 0.6152 1.2244 1.0889 1.4043 1.363 2.7996 1.1124 1.3323 2.1552 1.1099 1.2447 1.0204 1.0777 0.7819 1.0412 0.9486 1.0224 0.8101 1.7221 1.0895 0.9358 0.5235 1.1514 1.1173 0.8692 0.6774 0.8393 0.9773 0.7467 1.1367 0.9886 0.8258 1.358 0.8514 1.2213 0.9589 0.9103 0.8048 0.8082 0.916 0.6954 0.5527 0.4391 0.9786 0.4681 1.0359 0.7735 0.9422 0.6628 1.6633 0.9542 1.8378 1.2694 1.017 1.4074 0.7809 0.8864 0.8101 1.3691 0.5254 0.847 0.8902 0.7747 1.2887 1.1721 1.4211 2.4007 1.426 0.8657 0.713 1.0559 0.899 0.6068 0.9915 0.8889 1.5254 0.8341 0.8685 0.8855 0.8167 0.9826 0.9001 0.931 1.0086 0.7539 0.9961 0.7053 0.9631 0.908 1.3804 1.0778 0.8311 0.483 1.7332 1.0259 1.0611 0.8039 0.8865 0.7995 0.8517 0.7529 1.6659 0.9859 1.7298 0.9381 1.2243 1.057 0.9881 0.7928 1.5441 0.9098 1.3609 0.7754 2.0661 0.9513 1.1187 1.0451 0.9665 1.5948 1.3436 1.1169 1.1137 1.0598 0.5994 0.8825 1 0.6456 1.0978 0.7937 0.9629 0.6747 1.1712 1.021 1.0448 2.0438 1.5885 1.9938 1.3785 1.5141 1.2848 1.1612 1.6376 0.9146 0.6596 0.8889 myo-inositol 0.8384 0.7528 1.5738 1.1276 0.9493 0.834 1.1614 0.9002 1.2886 1.0528 1.3658 0.9587 1.9616 1.4639 0.933 0.9772 1.4096 1.4764 0.8741 0.9017 1.1114 0.7245 0.4353 0.7281 0.5008 0.801 0.5892 1.1001 0.949 0.9576 0.8594 2.0863 1.6029 1.2348 0.8521 1.4832 0.8316 1.3821 1.0769 0.9731 1.0451 0.8953 0.7131 1.0299 0.9037 1.0355 0.8706 1.4153 0.9919 0.9767 0.8055 0.7385 0.7462 1.0755 0.9462 1.8526 1.1348 1.4272 0.6102 0.6361 0.7187 1.4419 1.394 1.2086 0.8495 1.0811 0.8422 1.3835 1.072 1.0978 0.934 1.1961 0.8011 1.374 1.3003 1.0974 1.0169 0.661 0.6453 0.7673 0.5223 1.0653 0.5987 0.8548 0.7741 1.6042 1.0372 1.5623 0.4158 0.9156 1.0958 1.3444 0.9046 0.9775 1.2093 0.6379 1.1581 1.8012 1.0949 1.1529 1.0467 1.3346 1.4736 1.5936 0.8606 0.8907 1.3918 1.1208 1.2323 0.9944 1.0165 0.5893 1.0859 0.5901 1.1581 0.6476 1.1177 0.838 0.9434 0.7968 1 0.7814 1.1794 0.8469 1.1204 0.8119 1.0711 0.8802 0.7006 0.5463 1.3451 1 0.9078 0.7277 1.2687 0.6379 1.333 0.6829 1.0672 1.2732 0.8332 2.1237 1.3671 1.0408 0.9289 1.1439 0.6225 1.3356 0.8196 1.0297 0.9857 1.4359 1.2752 0.8447 1.7464 1.0385 1.0476 0.9564 2.1669 1.8276 1.0412 0.6816 1.1166 0.6164 0.835 0.6848 1.2005 1.1484 0.8512 1.1606 0.8999 0.9193 0.8754 1.4218 1.5478 1.0159 1.594 1.0914 1.1952 0.762 0.9294 0.7569 0.9531 0.8948 1.4911 0.8325 0.618 0.7995 1.2336 1.3442 0.7209 1.3013 0.8027 0.6993 0.5949 1.1995 1.0764 1.1069 1.2608 1.118 0.944 0.5983 0.829 0.7417 1.7588 0.6876 0.8019 1.0647 0.8778 1.1975 0.8064 0.6968 0.9706 0.6071 1.2244 1.3022 1.0025 1.1651 0.6926 1.2052 1.1676 1.4221 1 1.0866 0.7736 1.4462 0.9186 0.8301 0.6088 0.6876 0.6929 0.8808 0.803 1.6767 1.1779 0.9232 0.8278 0.9475 1.2358 1.1702 0.5379 1.9831 1.3375 1.0809 1.0661 0.9826 0.8321 0.9868 0.6518 0.9709 0.9143 1.3519 0.9384 1.6806 1.3597 1.132 1.7293 1.0892 0.8704 1.67 0.95 0.575 0.9565 0.6829 1.5135 1.1664 1.1333 1.5676 1.1532 0.7907 0.3675 1.1921 0.813 1.8233 0.9754 1.2406 0.8608 0.7362 1.0897 0.7656 1.591 1.1914 1.4319 0.8254 1.2786 1.3421 1.1371 0.5577 0.653 N-acetylaspartate (NAA) 1.0105 0.8968 0.9659 0.7837 0.8718 0.7047 1.0325 0.9337 1.4217 1.1007 1.97 1.3051 1.213 1.0145 0.8202 0.9325 1.236 0.9038 0.9061 0.9372 0.7506 0.7095 0.5927 1.1469 0.8106 0.6934 0.7094 0.9742 0.9103 0.8353 0.9803 1.0501 0.972 0.6967 0.9623 0.9481 0.8424 1.2714 0.832 0.9608 1.0611 1.1299 0.8602 1.3303 0.9318 0.7148 0.8046 0.9629 0.7915 0.8471 0.6739 0.1988 0.3402 1.4117 0.8752 1.586 1.1679 1.1913 0.8715 1.1053 0.9452 1.2424 1.1785 1.5201 1.1474 1.1978 0.9239 0.9342 0.8656 1.3336 1.5936 1.4651 1.781 1.0617 1.0865 1.268 1.2079 0.6717 0.943 1.2732 1.2018 1.0725 0.9383 1.014 0.9283 1.3557 1.1466 1.2041 0.1005 1.1408 1.1558 1.647 0.9724 0.9573 1.1097 0.9327 1.2986 1.5062 0.9221 1 0.9589 0.8264 0.6118 1.3451 1.3558 1.1732 1.0391 0.9431 1.1341 0.9607 1.3457 1.3251 0.9941 0.7888 1.702 1.2651 0.9916 0.9996 1.1011 0.7632 1.3517 1.2736 1.1032 0.8627 1.0449 0.8722 0.9816 0.7796 0.953 0.8688 1.2927 1.1153 1.1593 0.9309 1.0792 0.8783 0.9311 0.8212 0.2804 1.4184 1.1589 1.2078 0.8279 0.9534 0.6977 1.1907 0.8698 1.2818 0.9456 1.4019 0.9682 1.0506 1.0345 0.9618 0.9261 0.8802 0.9983 0.8768 1.3391 1.0717 1.2502 0.9396 0.9787 0.8559 1.0106 0.8843 0.8158 0.8869 0.9324 0.9144 0.8243 1.1524 0.5207 1.6189 1.4035 1.1904 0.9923 0.8262 1.1349 0.9122 1.2871 0.9685 1.4772 0.8909 0.7327 0.8947 0.6964 0.9503 1.3649 0.9462 0.94 1.5678 1.2957 0.9874 0.8135 1.4688 1.5173 1.1992 1.5713 1.3023 1.2148 0.904 1.0436 0.843 1.5291 0.8694 0.9564 0.8674 0.9765 1.2003 1.2639 1.2329 1.0933 0.9308 1.097 0.9739 0.862 1.4821 0.9151 1.0377 1.385 1.2065 1.0796 1.4451 1.1547 1.1455 1.0317 1.0503 0.6206 1.7858 1.3368 0.9612 1.0191 1.2368 1.051 1.0059 0.9784 0.3511 1.5018 1.4063 1.2673 1.2637 1.0293 0.7651 0.7337 0.9471 0.8468 1.3446 1.0809 1.9041 1.3375 1.2961 0.8484 1.1783 1.0135 0.9033 1.1673 1.6002 0.7659 1.2743 1 0.8858 1.1465 0.9511 1.0393 0.9819 0.7914 0.9736 0.6544 0.1251 0.1005 1.4296 0.9714 1.1993 1.1428 0.9428 0.7423 0.9222 1.2237 0.8879 1.4131 1.1522 0.814 1.121 1.1577 1.7286 1.0348 0.9559 1.0652 N-acetylglutamine 2.2621 0.9854 1.6772 1.0702 0.7473 0.3678 1.1706 0.7108 0.8186 0.318 2.391 0.9853 1.3865 0.676 0.9927 0.7783 1.6461 0.6697 0.4966 0.7928 0.3638 1.1727 0.7354 0.6595 0.7434 1.0769 0.318 1.4716 1.1416 3.7479 0.318 2.0368 1.7545 1.3195 0.6978 2.4918 2.01 0.9948 0.318 1.5986 0.9908 0.9464 0.7582 0.318 0.318 0.6982 0.318 0.318 0.318 0.7572 0.758 0.8845 0.7569 0.8379 0.4222 1.2265 1.0565 1.4608 1.3477 1.2372 1.4792 1.8716 1.4458 1.3228 1.1571 0.6234 0.318 0.4946 0.318 1.1036 0.7614 2.3928 1.6722 1.1038 0.6708 1.8404 1.4087 0.318 0.318 0.8576 0.318 0.8769 0.9271 0.8994 0.318 1.081 0.318 1.241 0.9259 1.1651 1.1493 0.9839 0.6448 0.8635 2.1124 1.7675 2.4053 0.6702 0.7695 0.318 0.5765 0.318 0.318 0.9764 1.2158 0.318 2.0048 1.0751 1.9436 1.3502 0.7925 0.6949 1.9976 1.0302 1.7016 1.3258 0.9899 0.318 0.318 0.318 1.4208 1.2461 0.7691 0.7914 0.5852 0.403 0.5538 0.6171 0.6867 0.5009 1.061 0.7331 0.5244 0.6437 1.3517 1.4776 0.5663 0.318 1.2493 1.9521 1.3127 1.2105 0.8938 1.5986 1.2599 1.0631 1.027 1.1363 0.318 1.5761 0.8901 0.318 2.1342 0.6188 1.3079 0.9895 0.8135 0.5963 1.8646 1.1587 2.0581 0.9689 1.0618 0.7738 0.7756 0.318 1.0073 0.8578 0.9364 1.1511 1.2154 1.5005 1.1341 1.0921 0.318 1.1457 1.7385 0.8448 1.0552 0.7962 1.9153 1.0436 0.6447 0.7374 0.5044 0.318 1.5629 1.2498 1.2132 1.064 1.0413 1.7672 0.6806 0.3826 0.318 2.0405 1.1482 0.7281 1.204 1.5962 0.4695 0.318 0.8264 0.5979 0.7999 0.6278 0.6357 0.4167 0.5642 1.068 0.8315 0.6987 1.0185 0.636 0.8881 0.9391 0.8129 0.318 0.318 1.153 1.1222 1.134 0.9105 1.3855 1.0453 1.9599 1.1124 0.969 2.587 1.0614 0.318 0.318 0.318 1.4844 1.1824 0.4438 0.5685 0.906 0.9427 0.7541 0.7479 1.0718 1.2154 0.6197 1.0787 1.4239 0.5666 1.6283 0.7822 2.1725 1.2452 0.9703 0.318 0.318 0.318 0.874 0.8306 1.7418 1.1944 2.861 2.0666 0.8247 0.7404 0.318 1.36 0.6453 0.7747 2.0287 1.6466 1.1621 1 0.4842 0.954 0.7879 0.8231 0.7348 0.7273 1.0052 0.8239 0.318 1.3118 0.318 2.2564 0.689 0.6775 0.9071 0.6775 0.744 0.318 N-acetylserine 1.3039 0.9864 1.3757 0.9537 0.9191 0.617 1.0572 0.5882 1.2054 0.754 1.4219 1 1.1339 1.0779 0.9369 1.1502 0.9358 1.4087 1.0524 1.0601 0.7854 0.8456 0.5646 0.9264 0.5814 1.0126 0.7032 1.0959 0.8809 1.1417 0.8484 0.9911 0.7792 1.1873 0.7501 1.2573 0.8592 0.9873 0.7547 1.0158 0.9237 1.0094 0.7733 1.2108 0.7693 1.0945 0.7948 1.0651 0.7842 1.3516 0.9221 1 0.8909 1.1895 0.9065 1.3313 1.025 1.2659 0.8472 0.868 0.6406 1.1966 0.8535 1.2859 0.8435 1.1252 0.7596 1.0056 1.105 1.2943 0.9645 1.5707 1.1322 1.1479 0.9151 1.2812 0.9077 1.0158 0.724 0.9757 0.7477 1.2122 0.8005 1.0707 0.831 0.8973 0.835 1.2102 0.7901 1.2547 1.1573 1.4777 1.013 0.9143 1.0107 0.7827 1.075 1.4557 0.7561 1.3896 0.981 1.292 0.8049 1.1078 1.4249 0.8857 1.1649 0.88 0.9889 0.6586 1.127 0.8633 1.2004 0.721 1.1418 0.9559 1.1228 0.8528 1.6047 0.9797 1.2727 0.9119 1.1965 0.7798 1.2823 0.9209 1.0578 0.6563 0.9502 0.7042 1.3825 0.8773 1.2414 0.802 0.9737 0.7481 1.1276 0.8269 1.2331 1.6251 1.1243 1.6014 0.9673 0.9087 0.6696 1 0.7094 1.1831 0.795 1.0881 0.8374 1.1392 1.4828 0.871 1.2315 0.7688 1.2732 0.9114 1.4921 1.015 1.1798 0.6895 1.2414 0.7888 0.9778 0.708 0.9511 0.8016 1.0891 1.2008 0.9059 1.0449 0.7655 1.4575 1.1154 0.8987 1.0781 0.7598 1.1095 0.7801 1.8586 1.3533 0.909 1.0839 0.8122 1.0315 0.7758 1.2842 0.8366 0.8975 0.996 1.6764 1.0406 0.9041 0.6312 1.1998 1.1444 0.8362 1.2298 0.7852 1.0341 0.7861 1.5081 0.8857 1.2569 0.8107 1.3212 1.3012 0.8785 1.2369 1.07 0.798 0.8993 0.6972 1.0441 1.1286 0.697 1.2179 1.1716 1.2991 0.8952 1.2995 0.9079 1.3508 0.9186 1.1927 0.7764 0.8933 0.6799 1.2141 0.7377 1.0799 0.7512 1.2297 0.8292 0.8458 0.7199 1.126 0.8397 1.6066 1.0994 1.0878 1.0339 0.9759 0.668 1.2181 0.744 1.3055 0.8495 1.1357 0.7695 1.2875 0.726 1.1904 0.9303 1.0198 0.9121 1.1512 1.1419 1.052 0.6562 0.7068 1.0418 0.7798 1.1554 0.7401 1.0724 1.0442 0.7455 1.1191 0.8356 1.5552 1.1839 1.1524 0.8666 0.98 0.6419 0.8421 1.1509 0.834 1.2312 1.4281 1.1118 0.7937 1.5015 1.5116 1.0502 0.5582 1.0917 N-formylanthranilic acid 0.8218 0.6118 1.1152 1.0667 1.3609 0.5874 1.0465 1.3276 0.9175 0.585 1.0279 0.998 0.4406 1.1714 0.7126 1.4677 0.4044 0.8288 0.8799 0.7299 0.6817 0.7315 0.4715 1.451 0.8637 0.5993 0.6181 1.0582 0.9157 1.3279 1.5372 1.3647 1.2718 0.9196 0.8196 0.9126 1.0643 1.5077 1.1395 1.8835 1.3524 0.8866 0.8171 1.1042 0.4044 0.6419 0.6738 1.1653 1.1253 0.5819 0.626 0.6437 0.4044 0.6738 0.6629 0.6523 0.4496 1.317 0.9916 1.112 1.2992 0.9425 1.0587 1.0259 0.6343 1.5445 1.2316 1.7018 1.6181 1.2925 1.2759 1.2457 0.8442 1.0689 0.9446 0.8167 1.0878 1.017 0.7678 1.1338 1.6716 1.2816 0.9275 1.561 1.3454 0.9512 0.8167 4.8229 0.9011 2.3226 0.9331 1.0072 1.1145 1.16 0.95 1.0377 0.739 0.8697 1.0493 0.7248 0.8844 1.2918 0.8 1.2418 1.253 0.5586 1.1654 0.7767 0.6414 0.6655 1.2395 1.3206 0.8213 0.6959 1.1916 1.1653 0.7944 0.9293 1.1121 1.3601 1.7724 2.2816 0.9257 0.9017 1.2256 0.9928 1.3813 0.8404 0.7262 0.9477 0.9455 0.5578 1.0335 1.3602 1.1927 1.242 0.8454 1.4262 0.554 0.8144 0.7262 1.2117 1.7217 1.4924 1.0117 0.9702 0.9216 1.5539 0.999 1.0702 0.9897 0.5958 1.2638 0.5803 1.5746 0.72 1.3386 0.7542 1.3303 1.0125 1.446 0.8884 0.7141 0.6274 0.6632 0.5855 1.7744 1.4616 0.876 0.8788 0.688 0.7217 1.4275 1.793 1.5959 0.4044 1.9492 2.4593 1.0849 1.1631 0.7721 0.7563 1.3022 0.7831 0.6325 1.1967 0.9856 1 1.1969 0.6684 0.5753 2.9752 1.7989 0.9336 0.8 0.8002 0.5906 0.5397 0.7409 1.1355 1.2632 0.9399 3.1228 3.5028 1.5334 0.8446 1.7887 0.7816 0.5624 0.8406 1.0719 1.0835 0.8202 0.4386 1.1069 1.3533 1.0247 0.9219 0.9599 0.889 1.1129 0.9189 0.9717 1.5024 0.9111 1.0747 0.8415 0.8388 0.9285 1.1235 0.6777 0.9257 1.35 1.2347 0.7046 0.5471 0.6929 0.6011 0.9128 1.0835 1.1401 0.5835 1.2614 2.0919 2.4321 1.1583 1.1727 0.7894 0.4811 1.2555 1.399 1.1694 0.8314 0.7589 0.72 1.4662 0.7477 1.3908 1.0244 0.9919 0.9183 0.8655 1.2278 0.823 1.5717 1.2857 1.9344 2.639 2.0068 0.4044 0.4044 0.9148 1.0312 0.7901 0.9803 1.0377 0.8219 1.5336 1.699 1.731 0.4987 1.0919 1.001 0.4044 0.7573 1.4377 1.0146 1.1376 1.8294 orotate 0.9507 0.8061 1.0435 0.7339 0.7509 0.8285 1.3822 1.3518 2.1828 1.503 1.0404 0.8258 0.6175 1.0101 0.9366 0.7834 0.921 0.8498 0.8118 0.8863 1.3298 0.5539 0.3553 1.5177 0.9713 1.1055 0.962 0.934 0.7421 1.1884 1.5003 0.7677 1.0739 1.1428 0.9819 1.2136 0.9251 0.6699 0.635 0.8493 0.7227 1.4663 1.4625 1.2535 1.3404 0.8326 0.8771 1.6909 1.2004 1.3804 0.9485 1.385 1.3499 1.165 0.9346 1.0192 0.9063 1.1592 0.9729 1.4952 1.3131 1.3423 1.5306 2.3704 2.1438 1.5801 1.2864 1.0855 1.2128 1 0.9427 1.5723 1.2176 0.5636 0.6148 1.0524 0.8398 1.3683 1.2434 1.1742 0.9444 0.7651 0.8303 0.6503 0.6309 1.4421 0.9369 0.9486 0.9144 0.9057 0.9082 1.0014 0.6367 1.1287 1.5282 1.43 0.7164 1.0766 0.6839 1.4589 1.0119 1.236 0.8005 1.0326 1.0095 0.7098 1.2399 1.0261 1.3066 0.9639 1.066 1.1632 1.2055 1.1071 1.207 1.5148 0.8704 0.9859 1.1623 1.0354 1.1897 1.0587 1.3504 1.2032 1 0.9855 1.5731 1.4002 1.0968 0.9803 1.4567 1.1847 0.7191 0.6935 0.9553 1.0087 0.6784 0.6431 1.7525 1.1256 1.0079 0.9304 0.7935 1.067 0.7584 1.0513 0.7378 0.9504 1.0481 1.3393 0.9797 1.3765 1.4713 1.6609 0.9789 0.7421 0.8927 1.0095 0.7934 0.796 1.2348 1.0864 1.2884 1.3783 1.0373 0.9015 0.8288 0.9276 1.0325 0.9604 1.0651 1.0743 0.8827 0.9921 1.2197 1.1008 1.158 0.843 0.9869 1.0598 0.8447 0.7966 0.5479 0.7948 0.7246 1.0149 0.9617 1.0202 0.8827 1.1639 0.8778 1.2034 0.7344 1.2925 1.1064 1.1613 1.5825 1.2773 1.0936 1 1.09 0.9058 0.9288 0.8601 0.7704 0.6348 0.544 1.4285 0.8385 1.1319 1.2478 1.3179 1.5157 0.9413 1.0445 0.5736 0.6613 1.0947 0.9771 1.0099 1.0796 0.6786 0.8921 1.3771 1.1323 1.5812 1.1839 0.9927 0.6735 2.1434 2.0195 1.0063 0.7298 0.9649 1.0391 0.8641 0.7969 1.1057 0.8875 0.9594 0.7252 0.9234 0.9528 0.9066 0.8674 0.8732 0.9487 1.0056 0.7529 1.4067 1.1284 0.9588 0.8136 1.0261 0.69 0.6686 0.4633 1.0876 0.805 0.9234 0.6397 1.5131 1.0998 0.9753 0.7206 0.7957 0.9605 0.5673 0.6647 1.258 1.0942 1.6289 1.4627 0.7313 0.8232 1.7012 0.9815 0.8577 1.1996 0.8134 0.6594 0.8263 1.156 1.2977 1.1785 0.821 0.6826 0.5111 0.6332 orotidine 1.0149 0.9523 1.7929 0.78 0.9492 0.7225 1.0022 0.7599 1.5151 0.9327 1.412 0.7622 2.0108 1.5377 1.2949 1.0382 2.1875 1.8847 0.772 1.0227 0.8621 1.0592 0.5446 1.3046 0.7442 1.2168 0.8227 0.6781 0.4802 1.3569 0.9338 0.9386 0.7284 3.4661 0.9784 1.8878 1.0174 1.0827 0.7756 0.9376 0.7462 1.2522 0.9971 1.6078 0.9649 1.3373 0.8873 1.0348 0.6066 1.2771 0.8037 0.2259 0.2259 1.1789 0.7414 1.5673 0.8407 1.3717 0.8946 1.1545 1.235 1.8856 1 1.174 0.7182 1.3882 0.8138 1.0167 0.6862 1.2404 1 2.3961 1.3965 1.2526 0.7281 1.265 0.7504 1.1306 0.739 1.2906 0.7363 1.7892 1.1724 0.7515 0.7516 3.1202 0.851 1.7764 0.2259 1.3158 0.9538 2.0013 0.9699 1.5684 1.1903 0.9374 1.7997 0.6075 0.2259 0.7505 0.677 1.1429 0.6394 1.1587 2.6603 0.6335 0.9482 0.2259 0.9479 0.5082 1.7905 1.151 0.5575 0.4042 1.3992 1.1942 1.1352 0.724 1.4179 0.7005 1.3752 0.793 0.7096 0.4573 1.6678 1.0512 1.0477 1.0261 0.5815 0.5653 1.6702 1.0943 1.1231 0.8517 1.1226 0.6155 0.6091 0.4761 1.23 1.2045 0.7587 1.3097 0.7878 1.0884 0.8445 1.2704 0.8497 1.9332 0.5003 0.9558 0.5184 0.9911 1.3858 0.8781 1.4655 0.6693 1.2767 0.8831 1.7505 0.7295 1.1659 0.4892 1.5182 0.6619 1.2728 0.7892 1.0949 0.8339 1.6566 1.047 0.7285 1.2456 0.9038 1.7378 0.9978 1.0915 1.5461 0.6917 1.7658 0.8282 1.6007 1.36 0.2259 1.1565 0.5112 0.9443 0.7874 1.2052 0.9316 0.5403 0.8877 1.5004 0.8565 1.0967 0.6676 1.9971 1.4229 0.7388 0.7577 0.3115 1.086 0.4295 0.9245 0.6431 1.4282 0.7035 1.2582 1.1575 0.7503 0.944 0.9903 0.4988 0.7696 0.5689 1.0108 1.8013 0.6409 1.1848 1.0997 1.5228 0.8391 1.2213 0.6642 1.3224 0.6855 1.7188 1.1568 1.0121 0.3578 0.9653 0.6178 1.458 1.341 1.3183 0.7105 0.9495 0.5714 0.9115 0.7497 1.2195 0.9345 1.0204 0.942 0.8472 0.5137 2.2403 0.6731 1.6204 1.1642 1.7575 1.2087 3.0177 1.4411 1.981 0.8383 0.7859 0.6103 1.3468 0.7366 1.2128 1.0218 0.903 1.4309 1.0623 1.2309 0.579 1.1356 0.9377 0.9052 0.5974 0.579 1.5515 0.7902 0.5148 0.2409 1.0948 1.0708 1.8352 1.6411 0.848 2.0075 0.9657 1.876 0.2259 0.9302 1.9676 0.7436 0.2259 1.256 pentose acid* 0.5437 0.4374 2.604 2.1486 1.3927 0.8171 1.0869 4.004 5.9296 0.7134 5.0009 1.2376 2.6312 0.6954 0.2013 1 3.1285 0.2013 0.2013 0.6845 0.2013 0.2013 0.2013 0.6484 0.2013 0.5796 0.2013 0.8927 0.2013 0.6822 0.2013 5.6251 2.8392 1.3756 0.6955 3.5751 2.0869 0.9683 0.2013 1.1182 0.5138 0.883 0.5874 1.3319 1.6174 0.9999 0.2013 1.1459 0.9072 0.4918 0.2013 0.594 0.5455 0.8169 0.2013 2 1.716 0.8198 0.5254 0.3298 0.2013 2.6467 3.2798 0.9554 0.2013 0.7078 1.1612 2.2038 0.8613 2.319 0.2013 0.9453 0.9949 1.02 0.5061 1.52 1.94 0.8163 0.2013 0.2013 0.8202 0.7621 0.2013 0.9311 0.2013 1.4296 0.2013 1.6594 0.696 2.355 1.0184 0.7607 0.6076 1.3487 1.2702 0.7855 0.9942 0.5394 1.3468 0.7027 1.1021 1.9757 0.2013 1.2829 1.4141 0.6256 4.6935 4.2577 0.786 0.6604 0.8221 0.3389 0.2013 0.2013 1.4582 0.791 0.8714 0.6129 0.9497 0.7818 0.789 0.5265 0.2013 0.574 0.7421 0.2013 4.9858 0.3067 0.2013 0.663 1.1909 0.5325 0.6378 0.338 1.1325 0.2013 1 0.2013 4.2315 1.1635 0.2013 1.9869 2.2748 0.4826 0.2013 2.4053 0.9494 0.5942 0.7253 2.0353 2.0612 1.1495 0.9953 0.7579 4.8268 0.3157 1.2486 0.2013 15.1703 4.6404 0.4708 0.4038 7.0867 0.8787 0.2013 0.2013 0.7452 0.2013 1.4874 0.7066 0.3054 0.8534 1.2377 1.2795 2.6707 0.2013 4.9736 0.7423 2.0354 1 1.0082 0.2013 0.2013 0.4664 0.2013 0.2013 0.3086 0.8693 0.5296 0.8534 1.1011 1.2793 0.8314 1.6366 0.4874 1.1791 1.6011 3.281 3.7588 4.8772 1.3226 0.2013 0.2013 1.0882 0.972 0.5634 0.9176 1.1843 0.5802 0.9658 3.0299 0.8641 0.2013 0.2013 0.2013 1.4053 1.6426 1.767 0.2013 1.551 1.964 2.225 0.7309 0.6369 0.2013 2.0983 2.0501 0.7919 0.4374 0.2013 0.2013 0.8087 0.8959 5.2411 3.0882 0.2013 1.8653 0.2013 3.8054 1.9903 0.8543 4.0984 7.9454 0.8408 3.9034 0.5258 0.3767 0.2013 0.2013 1.3426 1.0667 0.8371 0.8862 0.7492 0.2013 1.0349 2.7242 1.746 0.892 12.8658 3.552 1.0013 0.8561 0.9366 2.5101 1.4161 1.482 0.574 1.226 1.2912 0.716 2.0249 1.3067 9.1418 1.3927 0.7426 0.2013 0.8411 1.1406 0.4085 3.0061 0.8816 2.1305 0.5334 1.6591 0.8149 0.8387 0.2013 0.831 perfluorooctanesulfonate (PFOS) 1.4801 1.8168 1.8302 2.0875 1.0819 1.3127 0.543 0.6693 1.5555 1.7028 0.3195 0.3731 1.0121 0.9833 1.2725 0.9161 0.5386 0.3054 0.3825 1.1278 1.4495 1.1318 1.2033 1.7049 1.4602 0.3996 0.4767 1.3945 1.3503 1.2172 1.4553 1.2642 1.6073 1.5337 1.8256 1.1624 1.2819 1.1824 1.5727 1.7609 1.8897 1.7045 1.9214 0.3916 0.4097 0.5205 0.5914 0.7744 0.8893 0.4319 0.5398 1.0246 1.1471 1.607 1.744 0.7748 0.9174 1.2048 1.5511 2.0509 2.5341 1.9092 2.3525 0.3764 0.452 1.0183 1.221 1.054 1.3239 0.288 0.3527 0.8925 0.9196 0.6711 0.8197 0.5731 0.9785 0.74 0.975 0.4183 0.4221 1.5878 1.8656 0.7142 0.8182 1.0235 1.409 0.3336 1.1082 0.8921 1.2227 0.4382 0.5965 1.0942 3.3394 3.9222 1.3756 0.5489 0.5482 0.4806 0.6491 0.4213 0.5645 1.1044 0.9242 1.0472 1.1721 1.3682 0.808 0.9102 1.0543 1.1836 1.3935 1.6138 1.2202 1.4963 1.2419 1.5132 0.5265 0.6462 0.8071 0.9913 0.654 0.8648 0.3946 0.5985 0.4702 0.6864 0.5579 0.6368 0.7668 0.948 0.5785 0.7616 1.491 1.8959 0.7599 1 1.9835 0.8708 1.1025 0.4981 0.5405 0.9875 1.3358 0.4323 0.36 1.1596 1.5669 0.3687 0.4087 0.9395 1.4022 1.3135 0.6412 0.8377 0.1565 0.1378 6.1064 7.7088 4.2257 4.5393 0.6503 0.7444 1.1011 1.3382 1.2681 1.4264 0.9757 2.3175 2.6516 2.0601 2.3277 1.2938 1.5691 0.5484 0.83 0.9945 0.9685 1.1017 1.6891 1.818 0.583 0.1616 0.2151 1.2775 1.5099 2.9374 3.2959 0.7928 1.515 0.0983 0.1231 1.1773 1.2987 1.1894 0.5756 0.6577 2.1244 2.5384 1.0734 1.0196 0.2664 0.3663 1.0087 1.0443 2.3015 0.582 0.7378 1.0087 1.1504 1.2531 0.2655 0.3444 0.5083 2.2925 2.6922 0.6724 0.797 0.9094 1.109 1.0398 1.2724 0.5276 0.5912 0.9095 1 1.1911 1.457 0.5196 0.597 0.5052 0.7 0.7372 0.9932 1.076 1.2257 0.0622 0.0622 0.6566 0.7854 0.9891 1.1309 3.2986 3.7705 0.6419 0.7813 0.655 0.7888 5.464 5.4094 2.3748 2.7658 0.983 1.2371 0.511 0.626 2.0631 6.8989 1.7309 1.461 1.4231 1.7752 2.1105 0.7516 0.942 1.1923 0.9728 1.1911 0.2798 0.2976 0.4369 0.5701 0.2544 0.2931 0.2139 0.2464 0.8097 0.8816 1.205 1.0227 0.8628 0.9913 1.1249 0.557 1.0551 0.9225 0.4826 1.9375 pimelate (C7-DC) 0.6861 3.7712 0.9994 4.3399 0.6017 0.3775 3.0373 3.6942 2.951 1.68 0.0553 0.0553 1.2806 0.0553 0.0666 0.0859 0.0553 3.0719 2.1185 0.6196 0.5933 0.5458 0.8748 0.0553 0.452 1.021 1.1827 0.0553 0.0553 0.0553 0.0553 0.1958 0.0553 0.0553 0.0553 0.6726 0.0553 0.7052 0.7365 0.0553 0.5549 0.7728 0.0553 0.0553 0.1159 0.0553 0.0553 0.2355 0.0553 0.1347 0.1013 0.0553 0.0553 0.7016 0.7071 0.7084 0.4673 0.945 0.7633 0.5614 0.7698 0.0553 0.0553 0.0553 0.0553 0.071 0.0553 0.0553 0.0553 0.0553 0.0553 0.8151 0.0553 0.6237 0.4749 0.5179 0.0553 0.0553 3.8437 0.0553 0.0553 1.1306 1.4152 0.0553 0.0553 0.0553 0.0553 0.1002 0.0553 0.634 2.0825 0.8759 0.6553 0.6611 0.7317 1.0006 0.0553 0.1104 0.0553 0.0553 0.0769 0.0553 0.0553 0.0553 0.4596 0.6644 0.8524 0.0553 0.5332 0.6866 0.6554 0.5269 0.0553 0.0553 0.0553 0.0553 0.0553 0.0553 0.0553 0.0553 0.0553 0.0553 0.647 0.3709 0.6836 0.8195 0.6203 0.5479 0.9245 0.6372 0.0553 0.0553 0.0557 0.0553 0.1742 0.171 0.0553 0.0553 0.0553 0.0553 0.4763 0.9468 0.9133 0.0553 0.0553 0.9111 0.5873 0.0928 0.0553 0.0553 0.0553 0.0678 0.3781 0.0553 0.0553 0.0553 0.4901 0.5208 4.9213 4.7058 4.5985 4.6742 0.8698 0.5315 1.7537 1.3762 1.0485 1.1561 1.001 0.999 1.7228 1 0.5523 3.2398 2.6805 3.8412 3.4334 3.6019 3.9077 2.9224 1.3549 2.0212 0.716 0.9935 0.8932 0.9514 0.7911 0.7184 1.586 3.5726 2.3668 2.1888 3.3549 3.0429 2.6176 3.8178 0.6329 0.9966 0.8125 0.6582 0.8549 1.2356 1.2491 0.8142 0.7755 1.1802 3.2936 2.8936 3.0116 2.0184 3.1696 2.1098 0.0553 0.0553 0.0553 1.3973 0.5701 0.9136 0.7138 1.7627 0.0553 3.3407 2.3603 3.802 2.8488 3.9724 5.2205 0.8242 0.6098 0.8234 0.4589 2.1804 2.7586 1.0574 0.6979 0.5725 0.6276 0.3556 0.9413 2.8309 2.2524 2.801 3.3262 4.7321 4.5082 5.9211 5.5381 1.2269 1.1858 1.8835 2.104 1.4224 1.7312 1.135 1.2695 1.0744 1.1344 4.6067 2.586 5.4634 4.1423 3.6026 1.3852 1.1442 1.4606 1.5511 1.2611 5.2587 1.0277 1.3572 1.0309 3.9271 3.1172 4.1186 3.0906 2.4789 5.1056 7.6507 1.7886 1.9669 1.1288 0.246 0.1099 0.0553 0.5572 0.8181 0.5878 2.1077 0.8367 pyruvate 1.3748 1.4459 1.3118 2.3057 0.8533 0.7077 0.7973 1.5957 0.7818 0.8964 0.7643 0.5274 1.391 0.6766 1.1209 1 1.601 1.8159 1.7789 2.0779 1.1984 2.7072 2.1052 0.6396 0.6709 1.7895 1.2883 0.7644 1.1474 0.7727 1.0873 0.6363 0.8499 1.7435 0.5824 1 1.4442 1.178 0.7323 0.8782 0.8886 0.5998 1.1337 1.3249 1.2196 1.1702 1.2279 1.5781 1.8875 0.8791 0.8164 1.1208 0.833 1.5088 0.7805 0.9059 0.6878 1.0552 1.0162 0.9279 2.1418 0.8933 1.2117 1.6033 1.3472 1.3889 1.6417 1.0225 0.5289 1.2738 0.827 1.5414 1.1318 0.7391 1.2524 0.8924 1.02 1.7224 1.2653 1.1897 1.432 1.6339 2.1684 1.4686 1.0984 1.292 0.6686 0.7095 0.6354 1.4824 0.94 2.3586 1.0794 1.14 1.1827 1.0385 1.0896 1.3592 0.9686 0.6054 0.8845 0.4896 0.5303 1.3376 1.2278 0.6631 0.7644 0.3717 0.7851 0.8891 1.4231 1.8663 0.9021 1.3012 0.7934 0.9169 1.0083 0.861 0.9319 0.7615 1.0398 1.6624 1.2231 0.8325 1.4848 0.8883 1.1365 1.1329 0.7279 1.134 0.9017 1.3549 0.9778 1.4437 1.2693 1.8377 0.9326 0.8938 1.2954 0.9651 1.1778 1.5795 1.6139 1.0683 1.351 0.8608 1.5414 2.0371 1 0.6014 0.7162 0.6504 0.6382 0.8381 1.2594 1.0766 1.568 1.5881 1.6407 1.5551 0.861 0.9347 0.9682 0.7943 1.0727 1.3963 0.7054 0.7184 1.3809 0.8041 0.8995 0.8929 2.0353 0.9051 0.9835 0.9979 0.5404 0.4832 0.6025 0.4569 1.5787 1.7525 1.0112 1.0009 0.8601 0.99 1.5469 1.4002 1.9376 0.676 1.6589 1.6789 0.7457 0.626 0.7214 0.9085 1.2006 1.4015 1.7446 1.0443 0.8907 0.9376 0.728 0.6167 1.4221 0.5876 0.9661 0.4373 0.5931 2.3499 0.4908 0.6975 0.9798 0.7178 1.0064 1.2055 0.6213 1.1609 0.6683 0.7721 1.0705 0.8886 0.8138 0.8848 0.76 0.3783 1.1553 1.4766 0.6675 0.8771 0.8388 1.117 0.8716 0.4292 0.6228 0.7563 0.7733 0.7524 0.9557 0.4424 1.04 0.6495 0.6805 0.5535 1.0393 1.823 0.8405 2.0566 0.9266 1.486 1.2045 1.7054 0.9297 1.6891 0.7404 0.6831 0.5388 0.4972 1.4984 1.5357 1.0605 0.6889 1.1985 1.7575 1.4624 1.4257 0.6323 1.0222 0.8975 0.8258 0.9584 1.1962 1.1464 0.8897 0.7206 0.891 1.1878 1.7898 1.4702 0.6921 1.3086 0.9516 1.0358 0.7641 0.7153 1.7821 1.0186 0.6897 0.8874 quinate 1.2685 0.3528 0.8923 0.0175 0.3394 0.4697 0.0464 0.3642 0.0967 0.6616 0.1966 0.361 1.1446 7.7088 6.1063 1.8113 1.7923 0.0175 0.0175 1.6543 0.3187 0.4408 0.0175 2.6953 0.0175 0.0175 0.0175 1.9999 2.4515 0.044 0.2309 0.544 1.5918 0.421 0.0998 3.6764 1.4196 1.7967 1.0068 0.0175 0.8929 0.0175 0.0175 1.264 0.7725 0.5709 0.3028 0.0175 0.0175 0.4426 0.607 8.7977 3.2171 2.1152 0.4569 4.7538 0.2769 0.1151 0.0874 0.0702 0.4338 2.363 5.5343 1.4827 0.651 0.0175 0.4061 0.0175 0.0175 1 2.4828 0.0175 0.0175 6.9486 3.5861 5.8269 1.5366 0.4257 0.0175 0.0175 0.0175 0.2913 0.0175 0.4932 0.6587 1.1557 0.8178 0.4551 0.1291 6.3403 0.0888 0.8219 1.2463 0.5528 0.0175 0.0367 1.3337 0.3334 0.1476 1.1034 0.3965 1.5661 1.3577 1.3047 0.2012 0.0521 13.2128 11.54 0.0175 0.0175 0.0984 0.4236 0.0175 0.0175 0.0694 0.4092 2.6093 2.1619 3.0879 2.0126 3.4518 1.1036 0.6472 1.9379 0.0325 0.0175 0.0175 0.0175 2.2989 2.2389 0.0175 0.0175 1.2671 0.2104 1.1994 0.5646 0.0175 0.0175 0.1202 8.9485 1.7734 0.0496 0.047 0.3889 0.6222 2.2749 0.0261 0.0175 0.0175 1.489 0.5097 0.0175 3.8185 1.5998 4.2996 9.1826 0.0175 0.2987 1.9927 0.2049 2.381 0.4148 0.0572 0.0322 0.0175 0.0175 1.0038 0.9332 0.0219 0.5965 1.0165 11.1788 8.869 1.2184 0.3168 3.5491 4.128 0.0175 2.2517 0.8662 0.409 2.1801 0.0175 0.0175 0.0175 0.0175 0.0175 0.0837 0.0273 14.7479 1.1065 2.1843 0.4782 3.4459 2.2113 5.4833 2.2539 0.5471 3.9804 0.9962 0.1834 0.0781 0.0175 0.0175 0.0256 0.0855 0.0175 7.0376 4.9358 11.874 2.6181 0.7554 0.0175 0.0175 0.0175 1.3394 0.3587 0.0582 0.0175 0.2238 0.2311 4.0098 2.9615 0.1408 0.4728 8.1104 0.0345 3.4536 1.8357 0.0175 0.0175 1.5053 1.9561 1.668 0.7517 0.0175 0.0175 0.03 0.0788 0.4871 0.0558 4.675 0.1313 2.7028 0.9932 9.5348 0.515 0.0175 0.0175 2.205 3.2047 0.8961 1.5559 0.0175 0.0175 0.5822 0.4266 3.0202 0.0175 1.45 0.8019 0.0175 2.8552 1.6432 1.6653 1.2492 0.965 0.0175 0.8819 8.3024 2.5861 0.1653 0.0477 2.9293 3.3568 12.1471 3.2528 0.0175 0.1368 0.0175 1.2177 0.3728 1.1696 2.961 3.7228 0.1214 0.0629 0.0175 0.0175 quinolinate 1.0254 0.5889 1.116 0.7979 1.1856 0.6155 1.1904 0.607 1.8266 0.9056 1.481 0.9244 2.078 1.1493 0.677 0.9509 0.531 1.8868 1.3315 1.3691 0.607 1.0431 0.4957 1.1194 0.868 1.4118 0.981 1.9189 0.8783 2.0784 1.1235 0.8214 0.7361 0.7025 0.7968 1.1019 0.629 0.8953 0.8503 0.8598 0.4674 1.2219 0.7698 1.4519 0.5477 1.305 0.8656 1.0526 0.9197 1.1895 0.7656 1.4274 0.9637 1.6369 0.7794 2.2454 1.0749 0.7891 0.6749 1.4272 1.0216 1.9462 0.5606 1.3878 1.0761 1.1793 0.6777 0.7242 0.7166 1.0039 0.9961 1.996 1.3664 0.9116 0.742 2.1354 0.7761 1.2283 0.7864 1.4121 0.6907 1.9107 1.2054 0.4732 0.3828 0.5103 0.3854 1.0447 1.7118 1.2978 0.8654 1.4513 1.048 0.7344 1.0377 0.766 1.8335 1.3935 0.9051 1.337 0.7101 1.0006 0.5784 1.0122 4.7746 0.3797 1.3033 0.7605 1.0093 0.7579 1.0045 0.9628 1.2133 0.6709 1.6615 1.2036 0.6581 0.4132 0.9357 0.6996 1.1894 0.8183 0.983 0.5194 1.7697 1.6023 1.4243 0.603 0.9997 0.6786 2.0588 1.2326 0.9712 0.6692 2.2609 1.0291 0.3725 0.3507 1.6111 1.1349 0.509 1.6949 1.0065 1.3961 0.8543 1.4501 0.9434 2.4614 1.08 1.4401 0.4929 0.9252 0.9161 0.5732 2.204 1.2391 1.5324 1.0133 1.5185 0.8787 1 0.4691 1.5477 0.8318 1.034 0.6632 1.065 1.2314 1.0569 0.654 0.4964 0.3136 0.4294 1.7542 0.7997 0.8496 0.8908 0.6064 3.1958 2.139 0.9769 0.8766 1.0106 1.187 0.9457 1 0.5393 0.9793 0.3517 0.6153 1.2008 0.8951 0.6515 0.78 0.427 2.7361 1.232 1.0214 1.3449 1.1103 0.9924 0.5691 1.2304 0.7976 1.7748 0.4156 1.4674 1.2215 1.1335 1.4244 1.0777 1.1923 0.4437 0.3136 1.2949 1.3759 0.8364 1.1273 1.0626 0.4621 0.3136 0.7854 0.5929 1.2782 0.7089 1.9457 0.9325 0.7971 0.3616 0.96 0.6808 1.2528 1.4002 1.045 0.5592 0.6625 0.4422 1.8579 1.2046 1.8102 1.3593 0.6419 0.7226 0.9637 0.71 1.5202 0.7851 2.3704 1.381 6.8171 5.0687 1.6295 0.771 1.4273 1.1513 0.855 0.8043 1.1866 0.7886 0.6174 0.4171 0.7462 0.868 0.5786 1.2727 0.6049 0.8868 0.8765 0.7368 1.702 1.2138 1.341 1.039 1.2547 0.6819 1.0979 0.7156 1.1953 1.0037 0.7398 2.4594 1.3501 0.7557 0.3136 1.5372 1.1308 0.3977 1.0302 1.7106 ribitol 0.692 0.5275 1.2634 1.0205 0.5275 1.0643 0.6316 2.0425 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 1.0998 1.0969 1.478 0.9933 0.9716 0.8996 1.1817 0.5275 0.8327 0.7532 1.8494 0.5275 0.5275 0.5275 3.8598 0.5275 1 0.5275 1.2711 0.9402 0.9252 0.9279 0.7733 1.033 3.4215 1.7196 1.4388 1.3555 1.341 0.5275 0.5275 0.5275 1.108 0.5275 0.5275 0.5275 0.7563 0.8506 0.5275 0.5275 1.7908 0.999 0.9823 0.5275 0.8409 1.2642 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 0.8496 0.5275 1.0277 0.8901 0.5275 0.7766 0.5275 0.8961 0.5275 0.5275 1.2366 1.0049 1.8352 0.5275 0.628 0.5275 0.5275 0.5275 0.5275 0.8325 1.3102 4.4018 0.5275 1.001 1.2674 0.5938 0.5275 1.5225 1.2336 0.5275 0.5275 0.8951 0.5275 0.5275 0.5275 0.5275 1.0136 0.5275 0.7504 0.7335 0.7531 0.5275 1.2317 1.108 1.4246 0.5275 0.5275 0.5275 0.5275 0.7279 0.5275 0.5275 0.5275 1.0021 1.0022 0.7486 0.5275 1.1099 0.7169 0.7791 0.8047 0.5275 1.073 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 1.0645 0.6946 0.8267 0.6271 0.8386 1.2411 0.5275 1.2827 1.0116 0.5275 0.5275 1.2467 0.5275 0.8184 0.5275 0.5275 0.9537 0.7376 1.0554 0.7625 1.5657 0.5275 0.5275 0.5275 0.7658 1.2086 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 1.034 0.8711 0.9225 1.2112 1.173 1.7584 0.5275 0.5275 0.644 1.2716 0.9344 0.5275 0.9777 0.5275 0.5275 0.5275 0.9884 1.0564 0.9446 0.8543 1.0775 1.08 0.8878 0.6425 0.6805 0.9139 0.5275 0.5275 0.5275 0.5275 0.5275 0.9716 0.5275 1.2026 1.0111 1.2355 0.9775 0.5275 0.5275 0.7408 1.3138 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 0.6821 0.8949 1 0.5275 0.5275 1.2808 0.8868 1.441 0.7855 1.0226 3.8496 0.5275 0.5275 1.1164 0.5275 0.5275 0.5275 0.5275 1.2764 0.8478 0.8949 0.6947 0.5275 0.7196 0.5275 1.157 0.9199 1.0248 1.0797 0.8659 0.5275 0.5275 0.5275 0.5275 0.5275 1.6127 0.5275 0.8598 1.0725 0.5275 1.3928 0.5275 0.7696 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 0.5275 0.781 0.7659 1.0147 0.8652 1.2225 0.8218 0.5275 0.5275 0.7894 0.5275 0.5275 0.5275 1.1517 0.5275 0.7559 0.617 1.1717 0.5275 1.0281 1.4663 ribonate 1.3251 1.1459 1.8724 1.0125 1.0084 0.7321 0.8766 0.8299 0.9123 0.6745 0.7919 0.7518 1.2768 0.997 1.4742 1.2737 1.1447 1.215 0.9343 1.0757 0.8111 0.9649 0.5846 0.9113 0.8722 0.5454 0.5508 0.5192 1.18 0.7709 0.5617 0.3725 1.2261 1.3832 0.7179 1.1893 0.9199 0.8124 0.7615 1.3225 1.0182 1.2426 0.7802 0.7837 0.4504 0.3687 0.6022 0.893 1.1284 1.4385 1.1107 1.0655 0.8901 1.1938 1.0307 1.5077 1.2747 1.1394 0.8955 1.2221 1.0774 1.1476 1.0659 1.1528 0.5426 0.7584 0.3393 1.7544 1.602 1.075 1.1595 1.4367 0.9156 1.0368 1.0812 0.2731 0.9056 1.1125 0.6611 1.0773 0.7819 0.9239 0.5477 1.9111 1.3215 1.5049 1.1728 1.2927 0.8904 1.2562 0.9268 1.095 1.0965 0.8363 1.1568 0.8198 1.5215 0.9994 0.7646 0.2731 1.0073 1.5944 1.2486 0.9512 2.2546 1.2229 1.0459 0.9671 1 0.5395 0.7555 0.9219 0.5442 0.7561 1.0603 0.4061 1.8989 0.5652 1.376 0.3997 1.5212 1.2034 0.5779 0.8224 0.5975 0.8253 0.8187 0.6632 0.7761 0.6122 1.2986 1.0789 1.1767 0.2731 0.7643 1.162 1.2712 0.2731 0.9489 1.4903 0.8678 1.0434 0.7073 0.8903 0.7347 1.1107 0.9157 0.8175 0.6068 0.8467 1.022 0.851 2.0606 1.5514 1 0.6675 1.4076 1.1033 1.3846 1.0302 0.8598 0.7341 0.94 1.1958 1.5404 1.4396 0.741 0.5602 1.0503 2.2053 0.9683 1.1492 0.8203 2.2147 1.484 0.8506 1.1256 0.8274 1.2596 0.8697 0.8584 0.627 0.856 1.6391 0.6383 1.2758 0.2731 1.1523 0.9145 0.9552 1.1561 1.4598 0.8783 1.2585 0.759 1.0251 0.6185 0.2731 1.3201 0.8016 0.6124 0.6736 1.2125 1.2952 1.2415 1.2241 1.2093 1.0079 1.0303 1.4584 1.0278 0.881 0.712 0.5314 0.625 0.9823 1.105 1.1707 1.4385 1.678 0.9225 1.3142 1.4407 1.0767 0.8006 1.41 0.987 0.9854 0.6932 1 0.3769 0.807 0.703 2.0432 0.962 0.2731 1.7854 0.6791 0.7264 1.4926 0.8879 1.1351 1.3937 1.5035 0.7775 2.0709 0.8516 1.4433 1.1553 1.3065 0.6137 1.0813 0.9127 1.9525 2.2325 0.9571 0.8719 2.0219 1.1493 1.1438 0.6985 0.7958 0.9562 1.0336 0.6356 0.8634 1.6597 1.3682 1.4844 1.1548 0.7578 1.2652 1.278 0.9576 0.956 0.9076 0.8881 0.9863 0.7781 0.7591 1.0844 1.0567 1.8454 0.8459 0.9699 1.2024 0.8778 0.3632 1.2009 suberate (C8-DC) 0.6016 11.5361 0.7927 15.2503 0.6658 0.6828 10.2875 13.2779 3.4614 2.2041 0.0419 0.0148 1.3208 0.0148 0.023 0.0305 0.0348 11.4488 8.1978 0.5967 0.9925 0.7282 0.6749 0.7409 0.5941 1.1906 1.6093 0.0148 0.0148 0.0546 0.0148 0.0604 0.0354 0.0561 0.0148 0.6441 0.5556 0.4998 1.9132 0.7007 0.6391 0.7434 0.7516 0.0148 0.0148 0.0148 0.0148 0.0385 0.0148 0.0647 0.0742 0.033 0.0341 0.6739 0.8849 0.826 0.6717 0.584 0.6888 0.5441 0.6954 0.0356 0.045 0.0148 0.0148 0.0148 0.0148 0.0306 0.0547 0.0354 0.0148 0.756 0.5172 0.6792 0.7608 0.5853 0.6762 0.8519 13.3113 0.0148 0.0148 1.2665 1.9363 0.0148 0.0148 0.0148 0.0381 0.0574 0.0148 0.6999 1.5171 0.725 0.5354 0.9169 1.0325 2.409 0.0478 0.0618 0.0148 0.0148 0.0148 0.0148 0.0331 0.0148 0.6106 0.7196 0.6924 0.4948 0.6765 0.7167 1.036 0.82 0.0491 0.0148 0.0148 0.0148 0.0148 0.0198 0.0148 0.0148 0.0148 0.0318 0.6397 0.4301 0.6289 1.1713 0.5546 0.6657 0.7677 0.7164 0.0148 0.0317 0.0148 0.0148 0.0245 0.1466 0.0148 0.0363 0.0315 0.6325 0.8474 0.705 0.5065 0.7767 0.5923 1.4033 0.6132 0.0148 0.0339 0.0148 0.0148 0.0264 0.2936 0.0324 0.0309 0.0282 0.8435 0.5983 19.8463 17.0852 18.3512 17.8966 0.8718 1 2.0348 1.7877 1.2249 1.2814 1.1538 1.016 1.5942 1.7935 1.1931 12.1142 9.1896 15.8036 12.7759 12.8491 12.7457 11.5052 1.8576 2.2795 0.748 1.1841 1.215 0.9467 1.0295 1.4217 2.5551 14.2483 9.9879 9.3668 14.7979 8.9394 8.4906 14.0353 0.875 1.131 0.688 0.6981 1.0236 1.2963 1.1935 0.9721 1.2953 1.4733 12.482 11.3964 9.9073 6.0794 12.3073 7.3165 0.0599 0.0148 0.0405 1.4241 0.5434 0.9565 0.8602 3.3631 0.0148 12.4803 8.7365 14.0304 8.3406 16.7944 20.8405 0.9972 0.6595 0.9294 0.2955 2.7572 3.3009 1.0767 0.6641 0.594 0.5125 1 2.0999 9.6205 7.8197 9.0194 12.1549 18.3003 18.4022 26.2366 20.8969 1.4703 1.5973 2.1932 2.2618 1.5855 1.8702 0.984 1.3023 1.8771 1.637 18.5039 10.4008 21.758 17.175 12.6149 1.4741 1.5162 1.7192 1.886 1.6266 4.117 1.3684 2.2997 2.4181 12.6991 9.4637 15.3295 11.4795 7.9244 19.0624 33.4636 2.6276 2.7995 1.5357 0.1069 0.0148 0.029 0.5138 0.7557 0.617 6.2858 1.2161 succinate 0.8471 0.9566 0.8682 0.7656 0.8954 1.0143 1.3043 1.0174 1.5296 1.2487 1.3121 1.1542 1.0017 1.4538 1.3366 1.2158 1.1172 0.7394 0.7295 1.0759 1.0682 0.8793 0.7614 1.0851 1.8488 0.9176 0.8938 0.8491 0.937 1.3316 1.3681 1.1334 1.2025 0.9173 0.935 0.857 0.9341 0.9636 1.1351 1.1365 1.1681 0.8898 0.9082 0.7136 0.7446 0.7352 0.8107 0.9444 0.9692 0.9469 1.045 0.6068 0.8202 1.0255 0.8809 1.5325 1.1992 1.1217 1.0568 1.1264 1.0666 0.8107 1.0289 0.9173 0.8588 0.8482 0.8022 0.9458 0.9334 1.0745 1.2334 1.1471 1.2061 1.0031 0.9733 1.1082 1.1952 0.8152 0.9176 1.035 0.9505 1.0259 0.9905 0.9811 1.0081 0.8301 1.1151 1.0845 0.2695 0.8445 0.8947 0.9901 0.9647 0.8341 1.035 1.116 1.1342 1.0996 0.9424 0.8126 0.9594 1.0824 0.9995 1.0155 0.9937 1.162 1.055 1.1894 1.0758 1.1635 1.064 1.047 0.9767 0.8245 0.9999 1.0151 1.1479 1.4183 0.9256 0.8028 0.9623 1.0321 0.8045 0.8342 0.7746 0.7803 0.7546 0.8115 0.8723 0.9735 0.7333 0.911 0.9457 0.966 1.0699 0.8856 1.1787 0.8619 0.8057 0.9593 1.0703 1.1623 1.0298 0.9783 0.8626 1.1696 0.8978 1.0369 0.8526 1.2761 0.9814 1.0622 3.009 0.8954 1.0582 1.1276 0.9372 0.8139 0.8804 1.0095 1.1392 1.1073 1.0311 1.2009 1.089 1.1293 1.0643 1.0535 1.1811 0.9096 0.9422 1.2206 0.8767 0.9328 1.1008 1.0938 1.0853 1.1889 1.4967 1.1765 1.0162 0.951 0.9239 1.0896 0.9909 0.8904 1.0903 0.9364 1.1151 1.0825 0.9903 0.8518 0.8264 1 0.903 1.124 0.9619 1.0051 1.1553 1.1523 1.1078 1.0316 1 1.0367 0.9705 1 0.7633 0.9792 0.9723 0.9944 1.2479 1.2148 1.0619 0.816 0.9586 0.9833 1.0311 0.9834 0.8877 1.2894 1.3561 0.974 1.1265 0.9684 0.986 1.3455 1.2024 0.9337 0.9119 0.8941 0.9159 0.9986 1.1769 1.1441 1.3342 1.0292 1.1047 0.8341 0.8977 1.002 0.8093 1.3981 1.4908 1.0046 0.9149 0.9898 1.112 1.1429 1.0479 1.2905 0.9338 1.2011 1.0385 1.0635 1.2293 1.1897 1.2551 1.0605 0.787 1.2847 0.9557 1.1258 0.8486 0.8768 0.9276 1.0021 1.2155 1.2067 0.965 0.2864 0.1024 0.974 0.8056 1.0038 1.0332 0.7864 0.8705 0.9195 1.172 0.9728 1.0144 1.3073 0.9312 0.9353 0.8194 1.0405 1.0031 0.8862 0.8028 succinoyltaurine 0.7205 1.1441 0.4008 0.4008 0.6152 1.071 0.4008 0.4008 0.9403 0.4008 1.5392 0.4008 0.4008 0.4008 0.4008 1.7629 1.5064 0.4008 0.4008 0.4008 0.4008 0.4008 0.4008 0.4008 0.4008 2.8854 0.5207 1.0745 0.4008 0.4008 0.8182 0.7354 0.9919 0.5364 0.5271 2.8292 0.9415 0.4008 0.4008 0.4008 0.4008 0.4008 0.4008 1.0887 0.4008 0.4008 0.6843 0.6097 0.4008 2.5304 2.5106 1.1823 1.3185 0.4008 1.6345 0.4008 0.4008 0.7392 0.4008 0.4008 0.4008 1.2168 0.4008 0.4008 0.4008 0.4008 0.4008 0.4008 0.4008 0.8604 0.8682 0.9753 0.4008 1.2624 0.4008 0.4008 0.4008 2.4961 0.8793 0.7342 0.4124 0.4008 0.4008 0.4008 0.4008 1.6243 0.6169 0.436 0.5023 2.8147 2.3102 0.4008 0.4008 0.4008 0.8163 0.4008 0.4008 1.3362 0.4008 0.8451 0.4008 0.4008 0.4008 0.5158 0.4008 0.4008 1.1186 0.4008 1.3064 1.0499 0.5462 0.4008 1.6647 0.616 0.4008 0.7189 0.5957 0.4008 0.4008 0.4008 1.615 1.301 0.4008 0.4008 0.4008 0.4008 0.4008 1.2584 2.652 1.3581 0.4008 2.107 0.4821 0.4008 0.506 0.4008 0.4008 0.4008 3.8281 3.3173 0.6665 1.2769 0.7888 0.9863 0.4008 2.2825 0.4008 0.8359 1.0081 0.9502 0.4008 0.4008 0.6228 0.4008 1 0.5436 0.4008 0.4008 0.4008 0.4008 0.9363 1.2293 5.676 3.3905 1.1537 0.4008 0.4008 0.4008 0.4008 0.6287 0.9847 0.6245 0.7199 1.4219 1.5763 1.4194 0.9198 0.6288 0.4008 0.6993 0.4008 0.9403 0.4008 0.4008 0.4008 0.4008 0.4008 0.4992 0.6291 0.4008 0.4008 0.4008 0.4008 0.4008 0.4008 0.6648 2.7667 1.1046 0.74 0.4008 0.7911 0.4008 1.3366 0.4008 1.3591 0.6805 0.4008 1.0833 0.4008 0.4008 1.3595 0.4008 4.4984 2.2515 1.7976 0.4008 0.4008 0.4008 0.4008 1.928 1.1803 0.4008 0.4008 0.8489 0.4737 0.8893 0.6939 0.6868 0.4008 2.3281 1.623 0.4008 0.4008 1.1177 0.4796 0.4008 0.4008 1.8648 0.9337 0.4008 0.4008 0.5694 0.5137 0.4008 0.4008 1.3404 0.8295 1.3082 0.5609 1.3866 0.4008 1.7607 0.75 0.6055 0.4008 1.3055 0.645 0.4008 0.4008 0.679 0.4008 0.7321 0.958 0.4008 1.621 1.1844 0.4008 0.4008 0.4008 3.3766 1.1839 0.4008 0.4008 0.4008 0.4008 0.4444 0.4008 1.0137 2.2033 2.2804 0.8981 1.256 1.8342 1.087 1.2167 0.4008 0.7042 0.4008 0.4008 threonate 1.1883 0.6468 0.413 0.5922 0.8223 0.4459 1.9228 1.7854 0.3278 0.6367 1.7926 2.313 0.8603 0.1796 0.1616 0.3929 0.7077 0.1552 0.0552 0.9525 0.7449 0.253 0.1084 0.774 1.8338 0.1598 0.7863 1.1022 1.2919 0.2814 1.018 1.8902 1.9461 0.9648 1.1721 1.0002 1.0302 0.4723 0.6502 0.2206 0.4416 0.6606 0.838 1.0272 0.7735 1.0099 0.7868 1.0695 1.2825 0.4719 0.3863 0.1753 1.0523 0.0996 1.0657 0.8335 1.1715 0.3548 0.734 0.8385 0.461 0.6075 1.2484 0.4581 1.0878 0.7853 0.9486 0.9152 1.3998 0.1306 1.3131 0.0875 0.0997 1.1467 0.6775 1.7201 1.07 0.6582 0.4316 1.0991 0.8593 0.9178 1.2355 1.0629 1.4436 0.8503 1.4141 0.9353 1 0.7937 0.6476 0.2045 1.2322 1.5158 1.1912 0.7236 0.1691 1.2264 2.6583 0.8161 1.3275 1.3698 1.2681 0.7143 0.3999 1.5813 0.5582 1.2555 1.4237 1.2417 0.9766 1.0178 1.608 0.8442 1.4324 0.7503 0.2851 2.2663 1.0624 1.405 0.7696 0.8629 1.1169 1.0732 0.3255 0.3471 0.9416 1.0235 1.2169 1.3818 0.982 0.842 0.9782 1.2605 0.8888 0.4643 0.5307 1.0258 1.6305 0.4673 1.3938 1.4835 1.6441 0.8522 1.2604 0.2896 1.0031 0.8837 1.935 0.5332 1.2219 0.8766 0.1496 0.8172 0.3349 1.7554 0.538 1.2111 0.662 1.1182 1 0.8884 1.2772 0.7868 0.6705 0.6393 0.8229 0.9876 0.239 0.614 0.1922 1.4912 1.4203 0.6451 1.233 1.0387 1.6269 1.4582 1.3216 1.6289 0.8764 0.8889 0.8962 1.7324 1.5091 0.6299 0.0712 0.8101 0.9508 1.6728 1.3182 0.1945 0.179 1.0626 0.2892 0.8178 1.2975 1.5683 1.5672 1.6084 1.4116 1.189 1.3631 1.3538 0.7423 1.2135 0.4089 1.1907 2.5777 0.9836 1.3866 1.5937 1.4293 1.7104 0.7313 1.111 0.7634 0.5613 0.7564 1.4301 1.6231 1.791 1.4588 1.5095 1.7877 1.5136 1.6985 0.2081 1.5083 0.7188 1.4594 0.7585 1.446 2.1376 1.3903 0.9169 2.0605 0.3484 0.5243 1.8168 1.1609 1.8881 1.5831 0.936 0.4602 0.8391 0.9878 1.7586 1.8092 0.7559 0.7746 1.5737 1.3581 0.9914 1.2963 1.828 1.8554 1.2268 0.7178 1.8545 0.9512 1.5124 1 1.0392 1.0381 1.4428 1.3408 0.1747 1.0041 1.0093 1.3611 1.6673 1.6832 1.4569 1.3359 1.2684 1.1227 0.4474 0.686 1.0361 0.974 0.4414 1.0431 1.1868 0.7222 0.9287 0.4162 0.6041 0.3974 xanthine 0.8433 1 1.0576 1.4112 1.0767 1.143 1.161 0.8828 0.9275 0.7957 0.8723 0.9027 1.3893 1.3781 1.2329 0.837 1.1126 0.9909 1.1959 1.1989 1.2891 1.364 1.2565 0.6677 1.3361 0.9287 1.1434 0.927 1.0544 1.0629 1.2163 0.3779 0.6479 1.5693 1.1313 0.9939 0.964 0.8183 0.5917 1.2703 1.5821 0.8847 0.9431 0.9358 0.9013 0.8868 1.0431 1.4225 1.2288 0.967 0.9631 0.795 1.1957 1.1044 1.0953 1.1078 0.9461 1.4934 1.7402 1.3467 1.744 1.0984 1.2451 0.9867 1.1074 1.1617 1.0757 0.7115 0.9563 1.4132 1.468 1.7035 1.3617 0.7002 0.7958 0.8685 1.2286 0.998 1.5692 1.1478 0.639 1.137 1.2066 0.716 0.9763 1.3189 0.6993 0.841 1.313 0.9865 1.1934 1.3742 0.9915 1.5626 0.8841 0.9349 0.7944 1.1779 0.8589 0.6872 0.8067 0.9378 0.9961 0.7032 1.0688 0.6741 0.8806 0.9629 0.9828 1.0381 0.9302 1.282 1.1032 1.0364 0.5589 0.7331 0.8053 0.867 1.0828 0.722 0.7669 1.4447 0.8417 0.9685 0.9643 1.0203 1.6309 2.2185 1.1873 1.4581 1.232 1.2951 1.2577 1.5036 0.8956 0.7375 1.3113 1.1734 0.9688 1.0944 1.2469 1.1715 0.9903 1.1427 1.2512 1.0526 1.7324 0.9913 0.7437 0.8137 0.9162 1.4525 1.2421 1.1257 1.0849 1 0.6476 0.7415 1.131 0.9249 0.7466 0.8459 1.5257 1.3579 1.1805 1.1472 1.4852 1.184 0.9216 1 1.0029 0.4994 0.7536 1.2805 1.2807 0.8486 0.9748 1.0139 0.8825 0.9756 0.7399 1.3024 0.8575 1.204 1.2919 1 1.0938 0.682 0.7302 1.0264 0.9513 0.9092 0.6275 0.7367 0.9998 0.7973 1.0364 1.0837 1.1459 1.2572 0.8937 0.7914 1.0872 1.1293 1.0917 0.9022 0.7571 0.8256 0.8753 0.6597 0.7782 1.1304 0.7742 0.7602 1.1682 0.7671 0.7259 1.0771 0.9605 0.9677 1.033 1.1608 0.9295 1.0534 0.894 0.9941 1.1427 0.8587 1.294 1.0044 0.7627 0.8216 1.1515 0.6215 0.6911 1.2146 1.2631 1.3331 1.2371 0.6599 0.6041 1.0041 0.8986 0.7111 0.7754 1.3821 1.1238 1.1646 1.0657 0.8771 0.9111 1.0941 0.7925 1.0714 0.9303 0.7568 0.8624 0.8229 1.4227 1.0108 1.0581 0.9086 0.8731 1.0721 0.9899 1.0575 0.624 1.2453 1.1573 0.9308 1.1096 0.7306 0.8275 0.7246 1.003 1.0502 1.6391 1.1682 0.6591 0.7051 1.3743 0.811 1.0977 1.1279 0.7286 0.8369 1.5812 0.848 0.6983 xylose 0.3762 1.0859 0.6514 0.3762 0.3762 0.3762 0.3762 21.4805 1.4837 0.3762 0.3762 1.4526 0.9679 0.5166 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.9363 0.3762 0.3762 1.3671 0.3762 0.6534 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 2.5322 0.7922 0.3762 0.3762 1.003 0.3762 0.3762 0.6802 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 1.0089 0.3762 0.5026 0.3762 0.3762 0.3762 3.7151 1.9934 0.3762 0.5872 0.3762 2.1111 1.2918 0.3762 0.3762 0.3762 0.3762 0.3762 0.7753 0.3762 0.6756 0.9764 0.3762 0.3762 0.3762 0.3762 0.885 0.3762 0.3762 1.0282 0.3762 0.8502 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 3.23 0.6659 0.7572 4.0069 0.4516 0.3762 1.711 0.3762 0.3762 3.0256 0.3762 0.3762 0.3762 0.3762 0.3762 1.4431 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 2.4215 0.3762 1.1895 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 1.8495 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 1.0311 0.5749 0.6714 0.3762 0.3762 0.3762 0.3762 0.736 1.6332 0.3762 0.3762 1.5933 0.3762 0.3762 0.3762 0.9683 0.3762 16.0314 1.6637 0.3762 0.3762 0.5914 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 1 0.3762 1.7056 0.3762 0.6504 0.3762 1.055 0.3762 0.3762 0.3762 0.3762 0.7807 0.3762 0.3762 1 0.3762 0.3762 0.3762 0.3762 1.4997 0.3762 1.6007 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.4215 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 1.1079 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.9267 1.0373 0.3762 0.3762 0.3762 0.8008 0.3762 0.3762 1.3943 0.4731 0.3762 2.5289 0.3762 0.3762 0.3762 1.0906 0.8637 0.3762 0.3762 0.6845 0.3762 0.3762 0.8814 0.3762 0.3762 0.3762 0.751 1.1851 0.3762 0.3762 0.8158 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 1.1518 0.6819 0.3762 0.9098 0.3762 0.3762 0.3762 0.997 0.4658 0.3762 0.3762 0.3762 0.3762 0.3762 0.7982 0.3762 1.4998 1.5579 0.3762 0.3762 0.3762 0.3762 0.3762 0.3762 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RI MASS PUBCHEM CAS KEGG 2,2'-Methylenebis(6-tert-butyl-p-cresol) 703 339.233 8398 119-47-1 2,3-dihydroxyisovalerate 1050 133.0506 677 1756-18-9 C04039 2-hydroxy-4-(methylthio)butanoic acid 1065 149.0278 583-91-5 2-hydroxybutyrate/2-hydroxyisobutyrate 1258 103.0401 2-hydroxyglutarate 3352.8 147.0299 43 40951-21-1 C02630 2-hydroxyheptanoate* 925 145.087 2750949 2-hydroxyphenylacetate 858.6 151.0401 11970 614-75-5 C05852 2-keto-3-deoxy-gluconate 1900 177.0405 161227 17510-99-5 C00204 2-O-methylascorbic acid 1512 189.0405 99779 17860-87-6 2R,3R-dihydroxybutyrate 1543 119.035 13120901 759-06-8 2S,3R-dihydroxybutyrate 1660 119.035 10964471 5057-93-2 3,4-dihydroxybutyrate 2204 119.035 51267-44-8 3-hydroxy-3-methylglutarate 2850 161.0456 1662 503-49-1 C03761 3-hydroxyadipate* 3131 161.0455 151913 3-hydroxybutyrate (BHBA) 1480 103.0401 441 625-72-9 C01089 3-hydroxyisobutyrate 1619 103.0401 87 2068-83-9 C06001 3-methyladipate 2865 159.0663 12292 422955 3-methylglutaconate 2700 99.0452 1551553 5746-90-7 5-acetylamino-6-amino-3-methyluracil 1710 197.068 88299 1196153-01-1 C16366 5-acetylamino-6-formylamino-3-methyluracil 1424 225.0629 108214 85438-96-6 C16365 allantoin 1672 157.0367 204 97-59-6 C02350 alpha-ketobutyrate 940 101.0244 58 600-18-0 C00109 alpha-ketoglutaramate* 1916 144.0302 48 18465-19-5 alpha-ketoglutarate 2700 145.0143 51 305-72-6;328-50-7;22202-68-2 C00026 arabitol/xylitol 1932.4 151.0612 arabonate/xylonate 2700 165.0405 ascorbic acid 2-sulfate 3042 254.9816 86484 ascorbic acid 3-sulfate* 2025 254.9815 11425365 caffeic acid sulfate 1307 258.9918 carboxyibuprofen glucuronide* 2294 411.1297 citraconate/glutaconate 2600 129.0194 decadienedioic acid (C10:2-DC) 2329.7 197.0819 dihydrocaffeate sulfate (2) 1328 261.0074 dihydroorotate 1910 157.0255 648 155-54-4 C00337 erythritol 1491 167.0561 222285 149-32-6 C00503 erythronate* 2186 135.0299 2781043 88759-55-1 ethylmalonate 2785 131.035 11756 601-75-2 fructose 2065 225.0616 5984 57-48-7 C00095 fumarate 3084 115.0037 444972 100-17-8 C00122 galactonate 3085 195.051 128869 299-28-5 C00880 gluconate 2922 195.051 10690 527-07-1 C00257 glucose 2342 225.0616 5793 50-99-7 C00031 glucuronate 3233.3 193.0354 444791 207300-70-7 C00191 glutarate (C5-DC) 2900 131.035 743 110-94-1 C00489 glycerate 2070.4 105.0193 752 600-19-1 C00258 gulonate* 2750 195.051 152304 20246-53-1 C00257 heptenedioate (C7:1-DC)* 2816 157.0506 hydantoin-5-propionate 2080 171.0411 782 5624-26-0 C05565 lactate 1469 89.0244 612 79-33-4 C00186 maleate 2640 115.0037 444266 110-16-7 C01384 maltose 3329.4 387.1144 10991489 6363-53-7 C00208 mannitol/sorbitol 2320 181.0718 5780 C00794 mannonate* 2736 195.051 3246006 642-99-9 mannose 2200 225.0616 18950 3458-28-4 C00159 methylmalonate (MMA) 3078.4 117.0193 487 516-05-2 C02170 methylsuccinate 2800 131.035 10349 498-21-5 myo-inositol 3506.3 225.0616 892 87-89-8 C00137 N-acetylaspartate (NAA) 3143 174.0408 65065 997-55-7;997-55-7 C01042 N-acetylglutamine 2140 187.0724 182230 2490-97-3 C02716 N-acetylserine 2000 146.0459 65249 97-14-3 N-formylanthranilic acid 900 164.0353 101399 3342-77-6 C05653 orotate 1638.1 155.0098 967 50887-69-9 C00295 orotidine 2250 287.0521 92751 314-50-1 pentose acid* 2180 165.0405 perfluorooctanesulfonate (PFOS) 662 498.9302 74483 1763-23-1 C18142 pimelate (C7-DC) 2745 159.0663 385 111-16-0 C02656 pyruvate 1083 87.0088 1060 127-17-3 C00022 quinate 2432.9 191.0561 6508 77-95-2 C00296 quinolinate 3000 166.0146 1066 89-00-9 C03722 ribitol 1789.6 151.0612 6912 488-81-3 C00474 ribonate 2425 165.0405 5460677 1255190 C01685 suberate (C8-DC) 2577.6 173.0819 10457 505-48-6 C08278 succinate 3149 117.0193 1110 110-15-6 C00042 succinoyltaurine 2572 224.0234 threonate 2384 135.0299 151152 70753-61-6 C01620 xanthine 2023 151.0262 1188 69-89-6 C00385 xylose 1727 195.051 135191 609-06-3 C00181 METABOLITES_END #END