#METABOLOMICS WORKBENCH muc_20190311_120424 DATATRACK_ID:1670 STUDY_ID:ST001158 ANALYSIS_ID:AN001916 PROJECT_ID:PR000776 VERSION 1 CREATED_ON March 27, 2019, 7:55 am #PROJECT PR:PROJECT_TITLE The gut microbiota plays a central role to modulate the plasma metabolome in PR:PROJECT_TITLE response to chronic Angiotensin II infusion PR:PROJECT_SUMMARY Six week old C57BL/6 conventional (mice with gut microbiota; conv, n=6) and PR:PROJECT_SUMMARY germ-free (mice without gut microbiota; GF, n=6) mice were infused with PR:PROJECT_SUMMARY angiotensin-II (AngII) for 4 weeks (400ng.kg-1.min-1; Alzet 1004). In parallel PR:PROJECT_SUMMARY control groups, conv (n=6) and GF (n=6) mice received saline via minipumps. Our PR:PROJECT_SUMMARY primary goal was to identify metabolites which were differentially regulated in PR:PROJECT_SUMMARY conventional mice treated with AngII, but not in GF mice, indicating that these PR:PROJECT_SUMMARY metabolites are microbial in origin. Following minipump implantation, animals PR:PROJECT_SUMMARY were housed singly to prevent cross-contamination of microbiota. At the end of PR:PROJECT_SUMMARY fourth week, feces and blood were collected. Both plasma and feces samples were PR:PROJECT_SUMMARY processed and analyzed by using Liquid Chromatography-Tandem Mass Spectroscopy PR:PROJECT_SUMMARY (LC-MS/MS) for metabolite detection (Metabolon). PR:INSTITUTE Johns Hopkins University School of Medicine PR:LAST_NAME Pluznick PR:FIRST_NAME Jennifer PR:ADDRESS 725 N. Wolfe St., WBSB 205, Baltimore, MD 21205 PR:EMAIL jpluznick@jhmi.edu PR:PHONE 410 614 4660 #STUDY ST:STUDY_TITLE The gut microbiota plays a central role to modulate the plasma metabolome in ST:STUDY_TITLE response to chronic Angiotensin II infusion (part-II) ST:STUDY_SUMMARY Six week old C57BL/6 conventional (mice with gut microbiota; conv, n=6) and ST:STUDY_SUMMARY germ-free (mice without gut microbiota; GF, n=6) mice were infused with ST:STUDY_SUMMARY angiotensin-II (AngII) for 4 weeks (400ng.kg-1.min-1; Alzet 1004). In parallel ST:STUDY_SUMMARY control groups, conv (n=6) and GF (n=6) mice received saline via minipumps. Our ST:STUDY_SUMMARY primary goal was to identify metabolites which were differentially regulated in ST:STUDY_SUMMARY conventional mice treated with AngII, but not in GF mice, indicating that these ST:STUDY_SUMMARY metabolites are microbial in origin. Following minipump implantation, animals ST:STUDY_SUMMARY were housed singly to prevent cross-contamination of microbiota. At the end of ST:STUDY_SUMMARY fourth week, feces and blood were collected. Both plasma and feces samples were ST:STUDY_SUMMARY processed and analyzed by using Liquid Chromatography-Tandem Mass Spectroscopy ST:STUDY_SUMMARY (LC-MS/MS) for metabolite detection (Metabolon). ST:INSTITUTE Johns Hopkins University School of Medicine ST:DEPARTMENT Department of Physiology ST:LABORATORY Pluznick Lab ST:LAST_NAME Pluznick ST:FIRST_NAME Jennifer ST:ADDRESS 725 N. Wolfe St., WBSB 205, Baltimore, MD 21205 ST:EMAIL jpluznick@jhmi.edu ST:PHONE 410 614 4660 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Male and female #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Female JHOP-05721 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Male JHOP-05722 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Male JHOP-05723 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Male JHOP-05724 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Female JHOP-05725 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Female JHOP-05726 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Male JHOP-05727 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Male JHOP-05728 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Male JHOP-05729 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Female JHOP-05730 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Female JHOP-05731 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Female JHOP-05732 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Female JHOP-05733 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Female JHOP-05734 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Female JHOP-05735 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Male JHOP-05736 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Male JHOP-05737 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Male JHOP-05738 Sample:Feces | Treatment:Saline SUBJECT_SAMPLE_FACTORS Female JHOP-05739 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Female JHOP-05740 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Female JHOP-05741 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Male JHOP-05742 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Male JHOP-05743 Sample:Feces | Treatment:Angiotensin II SUBJECT_SAMPLE_FACTORS Male JHOP-05744 Sample:Feces | Treatment:Angiotensin II #COLLECTION CO:COLLECTION_SUMMARY Feces CO:COLLECTION_PROTOCOL_FILENAME Sample_Collection-Feces_Pluznick.pdf CO:SAMPLE_TYPE Feces CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Six week old C57BL/6 conventional (mice with gut microbiota; conv, n=6) and TR:TREATMENT_SUMMARY germ-free (mice without gut microbiota; GF, n=6) mice were infused with TR:TREATMENT_SUMMARY angiotensin-II (AngII) for 4 weeks (400ng.kg-1.min-1; Alzet 1004). In parallel TR:TREATMENT_SUMMARY control groups, conv (n=6) and GF (n=6) mice received saline via minipumps. TR:TREATMENT_PROTOCOL_FILENAME Treatment_Protocol__Pluznick.pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared using the automated MicroLab STAR® system from Hamilton SP:SAMPLEPREP_SUMMARY Company. Several recovery standards were added prior to the first step in the SP:SAMPLEPREP_SUMMARY extraction process for QC purposes. The resulting extract was divided into five SP:SAMPLEPREP_SUMMARY fractions: two for analysis by two separate reverse phase (RP)/UPLC-MS/MS SP:SAMPLEPREP_SUMMARY methods with positive ion mode electrospray ionization (ESI), one for analysis SP:SAMPLEPREP_SUMMARY by RP/UPLC-MS/MS with negative ion mode ESI, one for analysis by SP:SAMPLEPREP_SUMMARY HILIC/UPLC-MS/MS with negative ion mode ESI, and one sample was reserved for SP:SAMPLEPREP_SUMMARY backup. Samples were placed briefly on a TurboVap® (Zymark) to remove the SP:SAMPLEPREP_SUMMARY organic solvent. The sample extracts were stored overnight under nitrogen before SP:SAMPLEPREP_SUMMARY preparation for analysis. SP:SAMPLEPREP_PROTOCOL_FILENAME Sample_Preparation_Pluznick.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Scientific Q-Exactive high resolution/accurate mass spectrometer CH:COLUMN_NAME C18 column CH:METHODS_FILENAME Ultrahigh_Performance_LC_Method_Pluznick #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Metabolon #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS None #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peaks area MS_METABOLITE_DATA_START Samples JHOP-05721 JHOP-05722 JHOP-05723 JHOP-05724 JHOP-05725 JHOP-05726 JHOP-05727 JHOP-05728 JHOP-05729 JHOP-05730 JHOP-05731 JHOP-05732 JHOP-05733 JHOP-05734 JHOP-05735 JHOP-05736 JHOP-05737 JHOP-05738 JHOP-05739 JHOP-05740 JHOP-05741 JHOP-05742 JHOP-05743 JHOP-05744 Factors Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Saline Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II Sample:Feces | Treatment:Angiotensin II (12 or 13)-methylmyristate (a15:0 or i15:0) 3.1889 4.2528 2.7460 2.1188 1.8455 1.7875 2.2253 4.7992 1.7850 1.9629 2.4585 2.6496 0.1307 0.1863 0.1367 0.1473 0.1482 0.1482 0.1699 0.1278 0.1398 0.2150 0.1666 0.1519 (14 or 15)-methylpalmitate (a17:0 or i17:0) 0.7233 1.3752 1.1452 0.8759 0.9361 1.0488 1.2706 1.6556 1.1849 1.1171 0.8821 0.8269 0.7577 1.0636 0.9274 0.8283 0.9896 1.0835 0.9380 0.7546 0.8955 1.3814 1.2144 1.0104 (16 or 17)-methylstearate (a19:0 or i19:0) 0.4790 1.2609 1.2459 0.9771 1.1217 0.8918 1.1238 1.1504 1.0071 0.9452 0.6151 0.5005 0.6693 1.1034 0.7200 0.8137 0.9929 1.3007 1.1055 0.5132 1.0224 1.5775 0.9536 1.2983 (3'-5')-adenylyluridine 0.7796 0.6306 1.5930 4.6131 1.9221 0.5012 0.7961 1.2602 0.6011 1.6725 0.9084 1.0916 0.5012 0.5012 0.5012 0.5012 0.5012 0.5012 0.5012 0.5012 0.5012 0.5012 0.5012 0.5012 (3'-5')-cytidylyladenosine 0.2912 0.2912 1.5989 1.0000 1.0040 0.2912 0.2912 0.2912 0.2912 0.4143 0.2912 0.2912 0.2912 0.2912 0.2912 0.2912 0.2912 0.2912 0.2912 0.2912 0.2912 0.2912 0.2912 0.2912 (3'-5')-cytidylylcytidine 0.2813 0.4403 2.0858 3.1545 2.1131 0.2813 0.2813 0.5449 0.2813 1.0000 0.2813 0.2813 0.2813 0.2813 0.2813 0.2813 0.2813 0.2813 0.2813 0.2813 0.2813 0.2813 0.2813 0.2813 (3'-5')-cytidylylguanosine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 (3'-5')-cytidylyluridine 0.2425 0.5220 1.8307 2.4537 1.0969 0.2425 0.2425 0.7314 0.2425 1.0000 0.2425 0.2425 0.2425 0.2425 0.2425 0.2425 0.2425 0.2425 0.2425 0.2425 0.2425 0.2425 0.2425 0.2425 (3'-5')-guanylylcytidine 0.2887 0.4461 1.7607 8.9647 1.9988 0.2887 0.2887 0.2887 0.9942 1.5949 1.0000 0.8325 0.2887 0.2887 0.2887 0.2887 0.2887 0.2887 0.2887 0.2887 0.2887 0.2887 0.2887 0.2887 (3'-5')-guanylyluridine 0.4603 0.4603 1.5066 7.3248 0.4934 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 0.4603 (3'-5')-uridylylcytidine 0.2740 0.5493 1.4520 2.5811 1.5085 0.2740 0.2740 0.6411 0.3975 1.3589 0.2740 0.2740 0.2740 0.2740 0.2740 0.2740 0.2740 0.2740 0.2740 0.2740 0.2740 0.2740 0.2740 0.2740 (3'-5')-uridylylguanosine 0.3645 0.3645 0.3645 2.0937 0.3645 0.3645 0.3645 0.4559 0.3645 1.5441 0.3645 0.3645 0.3645 0.3645 0.3645 0.3645 0.3645 0.3645 0.3645 0.3645 0.3645 0.3645 0.3645 0.3645 (3'-5')-uridylyluridine 0.6351 0.6351 1.4311 1.4664 0.9985 0.6351 0.6351 0.6426 0.6351 1.0015 0.6351 0.6351 0.6351 0.6351 0.6351 0.6351 0.6351 0.6351 0.6351 0.6351 0.6351 0.6351 0.6351 0.6351 (N(1) + N(8))-acetylspermidine 3.0263 3.8946 3.8232 2.6589 4.7067 2.8771 0.5699 4.6466 0.4257 0.8915 0.7559 1.8541 0.7371 0.4710 0.5231 0.9133 0.7180 0.7545 0.8137 1.0248 1.0716 1.0674 1.1968 0.9752 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1) 0.1221 0.1221 0.1221 1.0000 1.2897 1.2469 0.9967 0.7557 0.6831 0.8289 0.1221 1.1208 1.0785 1.0173 1.4005 0.6193 0.8217 1.3760 1.1361 2.3062 1.6099 0.3502 0.7153 0.6929 1-(1-enyl-oleoyl)-GPE (P-18:1) 1.6124 1.6583 0.6155 3.3103 0.7191 4.1708 1.3009 0.8462 0.9897 0.6579 1.1804 2.3160 1.2175 0.9074 0.9213 0.7223 0.8571 0.8839 0.8542 0.8311 1.6103 1.0103 1.4074 1.2710 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4) 0.2804 0.3096 0.3943 2.5190 0.9720 2.6460 1.9442 0.8925 0.7027 0.9952 0.5141 1.5460 1.0048 1.0954 1.4302 0.4445 0.5703 1.1776 1.0346 2.3018 2.0236 0.5971 1.1817 0.7272 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4) 0.3591 0.3321 0.6257 0.8004 0.9845 1.3878 0.9413 0.6507 0.5960 0.8618 0.4036 0.7188 1.3974 1.1018 1.8604 0.8167 1.1407 1.7861 1.4668 2.7611 2.1983 1.0785 1.7221 1.0155 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2) 0.4416 0.4416 0.4416 2.6980 0.8574 2.5185 1.4966 0.9637 0.7550 0.6426 0.4416 1.5848 0.9570 0.8363 1.1557 0.5853 0.8121 1.0932 1.0000 1.5207 1.3676 1.1196 1.2760 0.7329 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2) 0.4882 0.4882 0.4882 0.4882 0.4882 0.6864 0.4882 0.4882 0.4882 0.7502 0.4882 0.4882 0.9446 1.0554 1.7418 0.6138 0.7597 1.5976 1.0955 2.1932 1.8974 0.4882 1.7284 0.7924 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1) 0.3771 0.3783 0.2395 4.0524 0.8655 3.0467 1.6792 1.1927 1.3264 1.3026 0.5305 2.7799 1.0538 0.8705 1.5776 0.3971 0.8977 0.8753 0.9462 1.9291 1.6623 0.7060 1.4067 0.6860 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1) 0.3159 0.5121 1.0412 0.8940 1.0631 1.2699 0.9454 0.9588 0.6616 1.0532 0.2917 1.1301 1.1853 0.8350 1.6135 0.2917 0.2917 1.5625 0.7212 2.6140 2.0624 0.6846 1.9236 0.3570 1-(1-enyl-palmitoyl)-GPC (P-16:0) 0.8998 0.6952 0.5424 3.3811 0.5424 3.6914 1.3055 0.6839 1.0806 0.5424 0.6754 2.4904 1.1269 0.7779 0.6858 0.8255 0.5868 1.2774 0.7321 0.9476 1.1670 1.2769 1.5282 1.0524 1-(1-enyl-palmitoyl)-GPE (P-16:0) 1.0693 0.9115 0.3907 1.0629 0.3698 2.5813 0.8562 0.5068 0.9714 0.4386 0.7268 0.7596 1.0814 0.8600 1.2948 1.0286 1.2570 1.4640 0.8886 0.8966 1.4003 1.7261 2.5684 1.5896 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4) 0.3096 0.3952 0.9116 0.5006 1.6447 1.3224 0.9464 1.1417 0.3529 0.7551 0.3096 0.3705 1.0000 1.0590 2.0604 0.6304 0.8387 1.5551 1.2042 2.3883 1.8610 1.0492 1.5861 0.6160 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 0.3534 0.3534 1.0050 0.8056 1.4259 1.4025 0.9003 0.9309 0.3674 0.9927 0.3534 0.3534 1.2892 1.2041 1.1152 0.3534 0.7592 0.9950 1.2346 2.4841 2.0032 0.4532 1.5989 0.7420 1-(1-enyl-stearoyl)-GPE (P-18:0) 1.4889 1.6922 0.8461 1.8144 1.2463 3.9645 1.3348 0.5176 0.8435 0.7983 1.0492 0.9827 1.3131 0.7500 0.6236 0.8220 0.8104 0.8768 0.7343 0.9339 1.2676 1.2545 1.3434 1.0173 1-(3-aminopropyl)-2-pyrrolidone 2.7350 0.8754 1.8335 10.0029 1.0879 1.3514 1.2855 1.2437 0.6830 0.6855 0.5567 1.3732 0.2206 0.2206 0.2206 0.6375 0.7621 0.9120 0.2206 1.4636 0.7457 0.2206 0.9121 1.3640 1,1-kestotetraose 0.0030 0.0030 0.0030 0.0030 0.0030 0.0030 0.0030 0.0030 0.0030 0.0030 0.0030 0.0030 1.2092 0.9810 1.0401 0.9584 1.0454 0.0110 1.0000 1.0983 1.0127 0.0243 1.1457 0.9365 1,2,3-benzenetriol sulfate (2) 0.4697 0.4697 0.4697 0.4697 0.4697 1.5303 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 0.4697 1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3) 0.2897 0.2897 0.4403 0.5760 0.7640 0.3965 1.0111 0.3887 0.2897 0.6646 0.6411 0.9074 1.2363 1.5412 0.9426 0.9889 1.1820 1.1310 1.1181 1.7082 1.1534 1.3134 2.0704 1.0232 1,2-dilinolenoyl-galactosylglycerol (18:3/18:3) 0.1350 0.1350 0.3321 0.1350 1.2637 0.9382 0.6986 0.4930 0.1350 0.4464 0.4540 1.0000 1.3227 1.8590 1.1554 1.0328 0.5744 0.7196 1.1557 1.4649 1.3207 1.4762 1.3120 0.6980 1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2) 0.5299 0.5882 0.8632 0.8353 1.3143 0.9282 0.8387 0.6088 0.7024 0.6781 0.8028 1.0103 1.2255 1.2960 0.9897 1.3143 1.2132 0.9528 1.2770 1.6163 1.1771 1.5992 1.4524 1.3268 1,2-dilinoleoyl-galactosylglycerol (18:2/18:2) 0.4819 0.5099 0.8579 0.7894 1.3245 0.8473 0.9254 0.6967 0.5723 0.7539 0.8938 1.3988 1.0789 1.2828 0.9794 0.9105 1.2732 1.0206 1.0983 1.3487 1.1099 1.1375 1.3460 1.1343 1,2-dilinoleoyl-GPC (18:2/18:2) 0.1106 0.1100 0.3299 0.2182 0.5496 0.3176 0.5811 0.3467 0.2502 0.3153 0.5701 0.7151 2.0239 3.2421 1.8488 1.2849 1.3635 1.5074 3.3027 3.1172 2.8974 1.7431 3.7081 1.7128 1,2-dilinoleoyl-GPE (18:2/18:2) 0.1613 0.1613 0.9678 0.4243 0.8251 0.3074 1.0000 0.4316 0.4816 0.7312 0.7327 0.5671 1.6455 2.9360 1.9613 1.5327 1.2513 0.7843 2.7607 2.2909 2.5429 1.1323 1.5386 1.1922 1,2-dipalmitoyl-GPC (16:0/16:0) 0.3474 0.3608 0.3712 0.5947 0.9010 1.2577 0.5462 0.3244 0.4219 0.3819 0.4871 0.6428 1.2233 1.2331 0.9435 1.0565 1.1597 1.2624 1.4164 1.7672 1.1116 1.2988 1.2330 1.1194 1,5-anhydroglucitol (1,5-AG) 0.5676 0.5676 0.5676 0.5676 0.5676 0.5676 0.5676 0.5676 0.5676 0.5676 0.5676 0.5676 1.1797 1.0162 0.9031 0.5676 0.9838 0.5676 1.4938 2.6093 1.3825 0.5676 0.6643 0.8798 10-heptadecenoate (17:1n7) 0.7592 1.3633 1.0601 0.7665 0.8802 0.9648 1.1414 1.2247 1.0941 1.1781 0.9282 0.8773 0.7487 1.0843 0.8259 0.8829 1.1906 1.1406 1.0088 0.7057 0.7302 1.3159 1.0064 0.9936 10-hydroxystearate 0.4951 2.4015 5.7428 3.0044 1.4692 0.8679 1.0903 1.3912 0.4764 0.7612 0.2917 1.2813 0.0022 0.0022 0.0022 0.0022 0.0022 1.0000 0.0022 0.1087 0.0022 1.1191 0.0022 0.0076 10-nonadecenoate (19:1n9) 0.5672 0.7929 1.4782 0.7905 0.9893 1.0911 1.2048 1.1206 1.2895 1.3892 0.7278 0.5525 0.7277 1.0834 0.9041 0.9527 1.2915 0.9726 1.0107 0.7313 0.8893 1.2734 1.2115 1.1478 12(13)-EpOME 1.0882 0.5859 1.2228 1.0554 1.0649 0.9216 0.8991 0.6356 0.9182 1.0183 1.2592 1.4702 0.9149 1.0837 0.7862 0.9817 1.1313 0.9097 1.0251 0.7551 0.6494 1.0223 0.6089 1.2583 12,13-DiHOME 1.5941 1.5026 2.4964 2.4399 1.9445 0.8040 2.0197 3.6112 1.7867 1.8466 0.7639 1.6785 0.8404 1.0157 0.9796 0.6914 0.7597 0.9529 0.9843 0.7145 0.5760 1.0688 0.5930 0.7869 12-dehydrocholate 3.8687 0.7090 0.3295 0.3295 0.3295 8.4779 0.3295 0.8933 0.3295 0.3295 0.3295 0.3295 0.3295 0.3295 0.3295 0.3295 0.3295 0.3295 0.3295 0.3295 0.3295 1.1067 0.3295 0.3295 13-HODE + 9-HODE 1.4038 0.9776 0.8866 1.0667 0.9066 1.2207 1.0650 0.7537 1.4905 1.0226 1.2523 1.4234 0.9740 1.0224 0.7479 0.8105 0.9456 0.8530 1.0883 0.8436 0.7811 1.0989 0.7654 1.2648 16-hydroxypalmitate 1.6806 4.4429 1.1933 1.4428 3.5535 1.3296 0.9984 1.9507 1.6783 1.6410 1.2108 1.0016 0.5356 0.7037 0.5978 0.6890 0.4474 0.6815 0.6783 0.6217 0.7136 1.0188 0.8185 0.5677 1-arachidonylglycerol (20:4) 0.3365 0.3365 0.6486 0.3700 1.0491 1.5062 0.5179 0.3365 0.5362 0.6433 0.3365 0.3365 0.5470 3.5611 1.5009 0.7785 1.4235 0.9509 2.7156 0.9262 2.6125 1.3174 1.9006 2.4189 1-carboxyethylphenylalanine 0.6079 0.6079 0.6079 0.6079 0.6079 0.6079 0.6079 0.6079 0.6079 0.6079 0.6253 0.6079 0.9439 0.9968 0.7547 1.1041 0.8924 0.6079 1.2748 1.7759 1.0299 0.6079 1.0032 1.4723 1-carboxyethylvaline 0.7381 0.2721 0.2721 0.2721 0.3330 0.6090 0.2721 0.2721 0.2721 0.2721 0.3852 0.4926 1.1232 1.0182 0.2721 1.4918 1.0000 0.8505 1.4801 1.0264 1.0047 1.0418 1.4763 0.9066 1-cerotoyl-GPC (26:0) 2.7848 1.1875 0.8635 1.3413 0.8550 1.0663 1.8135 1.9748 2.5645 2.2841 0.5341 1.0176 1.1034 0.8639 0.9177 0.7591 0.9840 1.0112 0.7700 0.9888 1.0525 0.8420 0.7280 0.4979 1-dihomo-linolenylglycerol (20:3) 0.7094 1.0212 0.3549 0.9788 1.1739 1.8246 1.0838 0.5729 1.2800 0.9008 0.3607 0.6307 1.1518 0.9001 1.1785 0.6398 0.7286 1.1015 1.2159 1.3386 1.4004 0.7329 1.7580 0.9376 1-dihomo-linoleoylglycerol (20:2) 0.3178 0.3178 0.3178 0.3178 1.0094 0.8151 0.3178 0.3178 0.3178 0.3178 0.3178 0.3178 0.9900 1.2700 1.0327 0.5786 0.8185 0.4908 1.7020 0.4905 1.0720 1.0092 1.0000 1.2627 1-docosahexaenoylglycerol (22:6) 0.3220 0.1445 0.4044 0.2115 1.1992 0.7548 0.2662 0.2045 0.3743 0.4041 0.6241 0.4292 0.9649 3.1228 1.5594 1.3332 2.0197 1.3199 2.3502 1.0351 1.4989 1.7759 1.4033 1.6207 1-eicosapentaenoylglycerol (20:5) 0.5698 0.4364 0.9344 0.4690 0.6882 0.6055 0.8104 0.3028 1.0338 0.9662 0.8757 0.3971 1.0469 2.1267 1.0442 1.5241 2.4427 1.4987 1.8270 0.9458 1.2932 2.0710 1.9252 2.1702 1-heptadecenoylglycerol (17:1) 0.5543 0.5080 0.7332 0.3963 2.1423 1.2390 0.7562 0.4784 0.8829 0.9878 0.7167 0.5936 1.1602 1.6629 0.9151 1.1621 1.2465 1.0122 2.0452 0.7270 1.8362 1.4466 1.7711 2.2160 1-kestose 0.2562 0.5262 0.6453 0.5488 0.2562 0.4282 0.5717 1.0000 0.2614 0.4123 0.3872 0.4401 75.7694 64.0816 69.2099 69.4307 70.2809 0.2562 66.1452 77.1024 67.9080 0.2562 77.0830 60.0337 1-lignoceroyl-GPC (24:0) 1.4025 2.1349 1.0642 1.6118 1.5069 1.9853 1.1967 0.3875 0.9067 0.6483 1.3931 0.9789 0.8096 0.3875 0.3875 0.8410 0.7222 0.9811 0.6520 1.0189 0.6746 0.9809 1.3519 1.4908 1-linolenoylglycerol (18:3) 0.6500 0.5116 0.9955 0.2400 1.3493 1.0045 0.7599 0.3696 0.9099 0.8146 1.0578 0.7372 0.8711 1.5865 0.8592 1.3309 1.6728 0.6164 1.6701 1.0525 1.8619 1.8972 2.7110 1.8374 1-linolenoyl-GPC (18:3) 0.8439 0.8726 0.4963 0.6385 0.6571 0.6831 0.8058 0.3067 0.5662 1.0175 0.8338 0.9825 1.3405 1.9043 1.1088 0.9544 1.5165 1.2422 2.1434 1.8694 1.7989 1.7950 1.4114 1.5652 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6) 0.2860 0.2860 0.2860 0.3806 1.1314 1.1973 0.7027 0.7384 0.2860 0.3905 0.4635 0.7956 1.0074 1.2572 1.3475 0.9824 0.9555 1.3095 1.4462 1.9473 1.5472 1.2725 1.0000 0.6917 1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3) 0.4881 0.4277 0.7579 0.6293 1.3411 0.8889 0.9691 0.5046 0.4742 0.5820 0.8066 1.2182 1.1426 1.2229 1.1065 1.0309 1.1280 0.8585 1.2956 1.6002 1.0449 1.1478 1.5330 0.9566 1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3) 0.4042 0.3713 0.6675 0.6460 1.0647 0.6889 0.7918 0.5541 0.3688 0.5392 0.8468 1.3373 0.7311 1.5770 1.0289 0.9711 1.2456 1.1224 1.4939 1.6182 1.2194 1.2477 1.5819 1.2511 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3) 0.4146 0.4687 0.6166 0.5580 1.9028 1.4076 0.8314 0.5968 0.6756 0.7596 0.9554 1.1546 0.9309 1.1124 1.2659 0.7232 0.8686 1.0446 1.1589 1.6148 1.2763 1.0825 1.3484 1.1653 1-linoleoyl-galactosylglycerol (18:2) 0.5943 0.5124 1.3987 0.4548 0.9394 0.9503 1.2970 0.5334 1.1086 1.5827 1.0497 0.4917 0.6585 1.5427 0.5961 0.8005 1.1622 0.9146 1.4326 0.8657 1.5850 2.3451 2.9147 1.4877 1-linoleoylglycerol (18:2) 0.7427 0.4593 0.8250 0.4864 2.6716 1.2639 0.8023 0.4514 0.6880 1.1394 0.9786 0.7353 1.0214 2.3442 0.7901 1.1644 1.4625 0.6437 2.5496 0.9112 2.3593 1.7144 2.0222 2.3408 1-linoleoyl-GPC (18:2) 0.4697 0.2961 0.4418 0.4395 0.4208 0.4466 0.5679 0.2703 0.4871 0.5346 0.7486 0.8113 1.3142 1.8171 1.2399 1.1887 1.4883 1.4956 1.8793 1.6789 1.2614 1.8264 2.1960 1.4454 1-linoleoyl-GPE (18:2) 0.6502 0.3247 0.4929 0.5448 0.5475 0.3860 0.5719 0.3167 0.4739 0.3726 1.0111 0.8383 1.4590 1.5863 1.0893 0.9889 1.4217 1.2193 1.7659 1.4291 1.3896 1.7141 2.0378 1.1292 1-linoleoyl-GPG (18:2) 0.9707 0.7678 1.4143 0.2227 1.3403 0.9960 1.5006 2.2481 0.9916 1.2746 1.3069 0.9441 0.2227 0.2227 0.2227 0.2227 0.2227 0.2227 0.2227 0.2227 1.0040 0.8240 2.6181 0.2921 1-linoleoyl-GPI (18:2) 2.8946 0.4460 0.9214 0.2933 0.3409 0.4173 1.8052 1.6689 0.7670 1.0786 3.8189 3.2072 0.2933 1.4610 0.2933 0.3560 0.5675 0.5758 0.8531 0.5471 2.6723 2.0369 5.3423 1.3865 1-margaroylglycerol (17:0) 0.9406 0.2583 2.0886 0.2583 1.5782 0.9904 0.2583 1.0257 0.6929 0.5349 0.9154 0.7525 0.3096 1.2679 1.1392 0.8878 1.2835 1.0532 1.0000 0.2583 0.7431 1.5719 1.2140 1.4067 1-methyl-4-imidazoleacetate 3.6405 1.6550 2.1144 15.0145 1.3099 2.4629 1.1423 1.1587 0.8577 1.1667 2.4274 8.7249 0.3122 0.3638 0.2814 0.4009 0.2811 0.6525 0.3420 1.3545 0.2859 0.4862 0.3189 0.7367 1-methyladenine 0.1711 1.4316 2.2861 8.2211 1.5895 1.2691 1.0000 0.7681 0.1711 0.2696 0.2133 2.7804 0.1711 0.4701 0.1711 0.1711 0.2241 12.6524 0.1711 0.4862 0.1711 11.1214 0.3605 0.1711 1-methylguanidine 1.0035 0.6304 1.4629 6.3189 1.6853 1.7135 1.2029 1.5119 0.9181 0.9965 1.4042 2.1178 0.6936 0.9014 0.8915 0.8879 0.6436 0.8542 1.3260 1.3313 0.9010 1.2610 0.9592 0.8626 1-methylhistamine 1.0710 0.3388 0.9290 6.5072 0.5448 1.3063 0.3388 0.3388 0.3388 0.3388 0.6408 2.0043 0.3388 0.3388 0.3388 0.3388 0.3388 0.3388 0.3388 0.3388 0.3388 0.3388 0.3388 0.3388 1-methylnicotinamide 0.0337 0.0359 0.0147 6.4923 0.0147 1.2823 0.0147 0.0147 0.0147 0.0147 0.0147 0.5425 0.9690 1.0096 1.0772 0.9904 0.6699 1.3166 0.9079 1.3355 1.1396 1.1085 0.7009 2.1804 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 0.3888 0.6458 0.4050 1.9553 1.0225 1.8146 1.0052 0.8120 1.1082 0.6708 0.5902 1.3386 0.8631 1.2121 0.9755 0.7572 0.7789 1.4608 0.7739 1.9352 1.0709 0.9948 1.0514 1.1557 1-myristoylglycerol (14:0) 0.5993 0.4189 0.8648 0.3480 0.8808 0.7551 0.6658 0.4631 0.6511 0.8082 0.6689 0.5281 1.1544 2.3938 1.7491 1.6748 2.7050 1.4537 2.0459 1.1192 1.4117 2.3072 1.8042 2.4567 1-oleoyl-2-linoleoyl-GPC (18:1/18:2) 0.1172 0.1463 0.2971 0.3005 0.8805 0.6549 0.7553 0.4960 0.2966 0.4101 0.6554 0.9159 2.2591 3.5007 2.1773 1.2912 1.0841 1.3595 3.1332 3.1246 2.9831 1.7038 2.6239 1.8524 1-oleoyl-2-linoleoyl-GPE (18:1/18:2) 0.1871 0.2957 1.4482 0.7027 0.9214 0.2981 1.2925 0.5164 0.6972 0.9235 0.7343 0.6287 1.3807 1.9643 1.8602 0.9912 1.0648 0.9759 1.7275 2.2841 2.2586 1.0447 1.1565 1.0088 1-oleoylglycerol (18:1) 1.2572 0.2414 0.9021 0.2264 0.6833 0.6948 0.4073 0.1908 0.9002 0.4200 1.5412 1.0218 0.6359 0.9910 1.0090 1.4082 1.0464 0.6125 1.0248 1.2582 1.0770 1.8908 1.7859 1.2107 1-oleoyl-GPC (18:1) 0.5738 0.3319 0.3561 0.5401 0.5147 0.6787 0.5220 0.3783 0.5329 0.4945 0.7930 1.0111 1.0866 1.5370 0.9889 1.0741 1.4236 1.5879 1.1206 1.5296 1.0211 1.6637 1.9037 1.4613 1-oleoyl-GPE (18:1) 0.8789 1.0602 0.4765 0.8424 0.5701 0.7548 0.8313 0.6052 0.6344 0.6134 0.9559 0.9922 1.1587 1.4859 1.0078 0.9899 1.1760 1.4509 1.1759 1.6668 1.1574 1.7334 1.7217 1.5460 1-oleoyl-GPG (18:1) 0.5583 2.8496 2.2690 1.0000 1.5217 0.2559 1.4689 3.3644 0.4866 1.4322 0.6073 1.0812 0.1286 0.1286 0.1286 0.1286 0.1286 0.1286 0.1817 0.1286 0.1286 0.2249 0.1286 0.1286 1-oleoyl-GPI (18:1) 2.9497 0.3145 0.8893 0.3145 0.5368 0.3145 1.8796 1.7684 0.7828 0.9705 2.8530 2.2214 0.4101 1.4482 0.4984 0.7941 0.9888 0.8909 1.0112 0.9717 2.2194 2.5814 5.8290 1.8623 1-palmitoleoylglycerol (16:1) 0.9869 0.4892 1.3371 0.5710 1.0131 0.8503 0.7420 0.4681 0.9687 1.0235 0.7358 0.8195 0.9386 1.8819 1.0675 1.4307 1.7978 0.6776 1.7649 0.9709 1.5389 1.8030 2.3145 2.0099 1-palmitoleoyl-GPC (16:1) 0.3418 0.3326 0.3288 0.4469 0.3288 0.4383 0.3982 0.3288 0.3924 0.3338 0.4659 0.5393 1.1148 1.5171 0.8852 1.2506 1.4949 1.1351 1.5555 1.4913 1.4506 1.7721 1.7387 1.4106 1-palmitoyl-2-alpha-linolenoyl-GPC (16:0/18:3n3) 0.2014 0.3550 0.3659 0.6872 0.7663 0.8685 0.6598 0.5225 0.4381 0.4978 0.5796 0.8413 1.5378 2.2352 1.5013 1.1315 1.4194 1.4369 2.3087 2.6776 2.0187 1.6248 2.3777 1.3594 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 0.4067 0.4818 0.4604 0.9221 1.7362 1.4997 0.8314 0.8422 0.6601 0.8018 0.7952 0.7452 1.0392 1.2818 1.8310 0.7635 1.3094 1.4022 1.7871 2.3591 1.8187 1.2954 1.4154 0.9608 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4) 0.9437 1.3773 0.8920 0.5094 2.5206 1.3101 0.5920 1.0414 0.8641 0.5094 1.2540 0.6571 0.9219 1.5284 1.5537 0.8622 0.7905 1.1362 1.5548 2.2144 1.4131 0.9151 1.0000 0.5233 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 0.6002 0.5265 0.5918 0.7888 2.3750 1.4070 0.8319 0.9873 0.7468 0.8668 1.0266 1.1190 1.0127 1.3984 1.3798 0.9117 1.1678 0.9335 1.7288 1.5309 1.2923 0.9550 1.3174 0.8700 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6) 0.2856 0.2856 0.2856 0.2856 2.1328 0.8723 0.4528 2.2294 0.6425 0.2856 0.7411 0.8160 0.9252 1.0748 2.1645 0.2856 0.7338 1.1197 1.1183 2.0288 1.6399 0.2856 1.1491 0.9013 1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3) 0.4037 0.5852 0.4037 0.5554 1.2894 0.7613 0.7719 0.4282 0.4756 0.6624 0.5468 1.0000 1.2059 1.3235 0.8262 1.4659 1.3143 0.7281 1.0558 1.4097 1.0264 1.3707 1.7681 1.0689 1-palmitoyl-2-linolenoyl-galactosylglycerol (16:0/18:3) 0.5041 0.5041 1.4980 0.8011 2.7105 0.9787 0.9001 1.2545 0.7498 1.0000 0.5041 0.5352 1.4881 2.1821 0.5041 0.9800 0.5041 0.5041 0.5041 0.5041 0.5041 1.0043 0.5041 1.2370 1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2) 0.6990 0.8154 0.9413 0.7909 1.6568 0.8942 0.9196 0.5502 0.5946 0.7441 0.9037 1.0587 1.2015 1.2287 0.7819 1.3358 1.2206 0.9094 1.2527 1.6385 1.1755 1.6223 2.0220 1.3973 1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2) 0.9627 2.3522 5.1048 2.4900 8.3079 0.9711 2.7292 3.9710 0.8114 2.6775 1.2219 1.7573 0.7484 1.0028 0.6699 0.7201 0.9972 0.7855 0.8170 1.1696 0.9855 0.8092 1.0230 0.8855 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 0.1592 0.2342 0.2967 0.5685 1.0038 0.9128 0.6099 0.5428 0.3688 0.4887 0.5173 0.6389 1.6687 2.2515 1.6343 1.0362 0.9962 1.1667 2.2908 2.1629 2.2098 1.5375 1.6714 1.3501 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 1.8967 1.3192 2.6515 1.6591 2.2301 1.3140 1.7169 1.1358 0.9961 1.7608 0.9283 1.0023 0.8147 0.9777 0.8393 0.6999 0.6371 0.6059 0.9977 1.0463 1.0938 0.7050 0.6790 0.6149 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 0.2694 0.2694 0.2694 0.2694 0.4982 0.2694 0.5048 0.2949 0.2694 0.2694 0.6001 0.8979 0.9256 1.7575 1.5366 1.1644 1.0744 0.8756 1.4912 1.2853 1.4326 1.1286 0.8757 1.3116 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 0.2354 0.2396 0.3240 0.6323 0.9335 0.9750 0.6489 0.4281 0.4562 0.4276 0.5852 0.7845 1.2112 1.6111 1.3242 1.0250 1.1072 1.1742 1.5264 2.0538 1.4900 1.1817 1.4095 1.0668 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 1.2727 2.4125 3.5129 1.4370 3.0743 0.5426 2.7125 3.3997 1.1461 4.1672 0.7279 1.6268 0.6552 0.7671 0.6503 0.4555 0.4555 0.4555 0.8302 0.9176 1.0824 0.5136 0.5155 0.5145 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1) 0.2012 0.4270 0.4779 1.4294 1.0142 1.3062 0.9322 0.7602 0.9128 0.6191 0.5198 1.0980 0.9858 1.2164 1.1699 0.8219 0.8705 1.0693 1.2227 1.9280 1.5026 0.9327 1.4104 1.0397 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 0.8468 0.5139 0.4666 0.8921 0.9856 1.7643 0.7445 0.4666 0.8012 0.7067 0.6074 0.9536 1.2494 1.2163 1.0094 0.9231 1.0000 1.6339 1.3532 2.0023 1.2784 1.6829 1.4683 1.1178 1-palmitoyl-digalactosylglycerol (16:0) 0.4649 0.2207 1.1411 0.4010 0.5979 0.6241 0.7104 0.2279 0.6974 0.4664 0.4590 0.2207 1.0000 1.3020 0.9649 1.2721 1.6297 1.3361 1.4307 1.2028 1.3823 3.4450 2.3142 1.6553 1-palmitoyl-galactosylglycerol (16:0) 0.8479 2.4809 2.7680 0.2157 2.3420 0.4603 1.8209 1.7697 1.1521 1.7534 0.4682 0.5918 0.2157 0.2157 0.2157 0.2157 0.3456 0.8448 0.2157 0.2157 0.2157 1.6517 0.3604 0.2157 1-palmitoylglycerol (16:0) 0.9036 0.3891 0.7806 0.2438 0.5875 0.3645 0.4922 0.7216 0.9910 0.4447 1.4351 0.6756 1.1982 1.0674 2.2306 1.2061 1.1053 1.5139 1.0090 1.4341 0.7233 1.5487 1.8717 1.0969 1-palmitoyl-GPA (16:0) 0.4030 0.4030 2.8840 2.2860 5.0396 0.8971 1.4935 4.0431 0.7197 1.2326 0.4054 1.4765 0.5838 0.8841 0.8204 0.4030 0.6836 1.2700 1.1029 0.6563 0.5135 2.0435 0.6562 1.1917 1-palmitoyl-GPC (16:0) 0.5708 0.4216 0.4013 0.5777 0.5619 0.9505 0.4782 0.3432 0.5023 0.4289 0.8737 0.8455 1.2737 1.3521 1.0495 1.3701 1.4972 1.8349 1.3140 1.6211 1.3895 1.9846 1.9789 1.4998 1-palmitoyl-GPE (16:0) 1.5261 1.4876 0.6749 1.3238 0.9288 0.9806 0.9070 0.8372 0.8078 0.7363 1.2271 1.2793 0.9078 1.0194 0.7332 0.9184 1.1818 1.0496 0.8509 1.2627 0.9261 1.4646 1.2712 1.1616 1-palmitoyl-GPG (16:0) 0.9681 2.0193 4.0354 0.6913 2.3669 0.7718 1.6494 3.2100 1.0319 1.6989 1.1936 0.8750 0.5060 0.7308 0.4412 0.6200 0.7637 0.8415 0.8725 0.6363 1.1707 2.0782 2.5828 1.1001 1-palmitoyl-GPI (16:0) 0.4042 0.2945 0.5508 0.1659 0.3404 0.3966 1.1183 0.9985 0.4796 0.4408 1.3577 1.1700 0.7215 1.1769 0.8331 1.0015 1.3356 1.2858 1.1202 0.8903 1.2382 2.3663 2.4914 1.6274 1-pentadecanoylglycerol (15:0) 0.6564 0.8952 1.1680 0.8132 2.5536 0.7367 0.4622 1.5017 0.5066 1.1973 0.6713 0.5421 0.6269 1.4137 1.0202 0.9117 1.3530 0.9798 1.3956 0.7170 1.0503 1.5267 1.2189 1.4157 1-ribosyl-imidazoleacetate 0.5579 0.5579 0.5579 5.6068 0.5579 1.0717 0.5579 0.5579 0.5579 0.5579 0.5579 1.6722 0.5777 0.5579 0.5898 1.0000 0.8773 1.0861 0.6430 1.2795 0.7088 1.1470 0.9139 1.3089 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 0.2238 0.4419 0.2238 0.5110 1.5171 1.5517 0.7107 0.6932 0.4428 0.4976 0.5242 0.4876 1.2291 1.3015 1.9121 0.7522 1.0000 1.8168 1.8557 2.7879 2.2197 1.1059 1.1316 0.7476 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 0.2117 0.2117 0.2117 0.3136 1.0000 0.8186 0.4773 0.4716 0.3165 0.3663 0.2882 0.2117 1.4413 1.8908 2.6566 0.8882 1.2218 2.6375 2.0857 4.1834 2.9456 1.2304 1.7354 0.7436 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 0.4245 0.4245 0.4245 0.4245 2.5042 0.4245 0.4245 0.7579 0.4245 0.4245 0.5039 0.4245 0.8957 1.1113 1.8284 0.6327 0.5458 1.6262 1.1807 2.0159 1.5611 0.8511 1.1043 0.6942 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 0.3391 0.4414 0.4290 0.9254 2.6645 1.4366 0.7004 1.4599 0.6315 0.6288 1.0130 1.0283 0.8744 1.4052 2.2029 0.9358 0.9153 1.3864 1.7551 2.0455 1.5586 0.9870 1.0201 0.7024 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6) 0.3121 0.3121 0.3121 0.3121 0.3121 0.3121 0.3121 0.3121 0.3121 0.3121 0.3121 0.3121 0.6958 1.1435 1.8983 0.4295 0.5949 1.3270 1.2843 2.0616 1.3924 0.5660 1.0000 0.5391 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 0.2879 0.3356 0.3296 1.0847 0.9821 1.6831 0.9933 0.5450 0.6427 0.6383 0.5214 1.0067 1.2487 1.2637 1.5469 0.7705 0.9552 1.2108 1.2838 2.1741 1.7714 1.0780 1.4384 0.8549 1-stearoyl-GPC (18:0) 0.6555 1.1087 0.2861 0.9872 0.5405 3.1924 0.8304 0.4407 0.6438 0.3860 0.7373 1.0443 1.1853 1.0128 0.7735 1.0226 0.8922 1.7036 0.9074 1.4120 1.5128 2.3179 1.7635 1.3848 1-stearoyl-GPE (18:0) 0.5275 0.9785 0.2678 1.0141 0.4620 3.0284 0.7860 0.4256 0.9120 0.5500 0.7441 1.1682 1.4195 1.2189 0.9300 1.1425 0.8131 1.9749 0.9859 1.7376 1.8983 2.4143 2.0437 1.8512 1-stearoyl-GPG (18:0) 0.9004 4.7255 8.4679 1.3041 3.2821 1.2516 1.8194 9.9928 1.3312 2.5501 0.9614 0.9322 0.0678 0.0678 0.0678 0.0678 0.0678 0.5710 0.0898 0.1100 0.1951 1.0386 0.3481 0.1686 1-stearoyl-GPI (18:0) 0.3362 0.7563 0.5795 0.7517 0.4649 1.4398 1.7508 0.8219 1.1324 0.6708 1.2485 1.2864 0.7527 0.9464 0.8246 0.9689 1.0311 2.0856 0.8331 1.1012 1.5385 3.6638 2.8503 1.9585 1-stearoyl-GPS (18:0) 0.4882 1.0316 0.5276 1.2239 0.7569 1.9538 0.7246 0.5804 1.0861 0.6587 0.7241 1.0863 1.1069 0.9684 0.5733 0.8570 0.6381 1.9311 0.8108 1.2942 1.3891 2.1085 1.2063 1.3641 2,3-dihydroxyisovalerate 1.5944 1.1186 0.4651 1.2139 1.8348 1.0000 0.2397 0.9789 0.6347 0.8027 0.5024 1.0452 0.1423 0.1423 0.1423 0.1423 0.1423 1.4165 0.1423 0.1423 0.1423 1.6848 0.1423 0.1423 2,4,6-trihydroxybenzoate 0.8920 0.3260 3.2744 3.1415 3.2257 3.0612 1.3122 1.5221 1.2433 0.9164 0.9502 0.9029 1.1538 0.7264 0.7573 0.8085 0.6645 2.3159 0.7955 0.9840 1.0160 2.2961 1.4221 0.7998 2,8-quinolinediol 0.0030 0.0020 3.4525 5.8864 3.0637 0.2358 1.0123 6.6107 0.4264 0.9877 0.6519 1.6672 0.0020 0.0020 0.0020 0.0020 0.0020 0.0020 0.0020 0.0020 0.0020 0.0020 0.0020 0.0020 2,8-quinolinediol sulfate 0.1723 0.1723 0.1723 46.5128 0.1727 1.0000 0.1723 0.1723 0.1723 0.1723 0.1723 5.6948 0.1723 0.1723 0.1723 0.1723 0.1723 0.1723 0.1723 0.1723 0.1723 0.1723 0.1723 0.1723 2-acetamidophenol sulfate 0.3117 0.3117 0.3117 4.2452 0.3117 0.3117 0.3117 0.3117 0.3117 0.3117 0.3117 0.7944 1.0000 0.8367 0.7986 1.3035 1.3059 0.3117 0.7275 1.0023 0.8700 0.3117 1.0157 1.3116 2-aminoadipate 0.3107 0.2221 0.4952 0.4908 0.2994 0.5764 0.5281 0.3455 0.3054 0.2717 0.2623 0.5370 1.8937 1.5152 1.5798 1.8530 1.6368 1.4236 1.6808 2.2071 1.7330 1.4363 2.5832 1.8336 2-amino-p-cresol sulfate 0.5797 0.5797 0.5797 29.1096 0.5797 0.5797 0.5797 0.5797 0.5797 0.5797 0.5797 1.0000 0.5797 0.5797 0.5797 0.5797 0.5797 0.5797 0.5797 0.5797 0.5797 0.5797 0.5797 0.5797 2-aminophenol sulfate 0.0278 0.0278 0.0278 8.4929 0.0278 0.9667 0.0278 0.0278 0.0278 0.0278 0.0278 1.0333 0.0278 0.0278 0.0278 0.0278 0.0278 0.0278 0.0278 0.0278 0.0278 0.0278 0.0278 0.0278 2'-deoxyadenosine 250.5143 27.3530 0.8432 5.2754 1.0802 0.9954 1.4651 88.9437 4.1533 4.1930 13.5632 9.5142 0.7773 0.9968 0.9413 0.7342 1.0032 0.8748 0.8640 1.3167 0.6316 0.8029 0.7949 0.7523 2'-deoxycytidine 1.4867 0.4923 0.3154 1.1434 0.5239 0.2606 0.5588 0.8566 0.4712 0.7384 0.6231 1.1911 2.6479 2.4422 3.0305 2.0634 2.4225 0.1128 2.6177 0.4310 3.0219 0.0826 3.0713 2.1065 2'-deoxyguanosine 2.5396 0.6789 0.4057 1.2499 0.7022 0.4226 0.4443 1.0573 0.4831 0.6978 0.7530 0.9770 1.3209 1.0733 1.4152 1.0230 1.1358 0.0607 1.2563 0.2681 1.3442 0.0430 1.3629 1.1605 2'-deoxyinosine 1.6090 0.6992 0.8590 1.4228 1.3552 0.4103 0.4690 1.8344 0.3120 0.6193 0.5808 1.2105 1.0814 0.9430 1.3262 0.8716 1.0768 0.0668 1.1235 0.2397 1.2375 0.0381 1.2559 1.0570 2'-deoxyuridine 2.8663 1.2999 1.3273 2.0277 1.9802 0.4170 1.0916 3.6435 0.5319 1.2430 0.5281 1.6120 0.8610 0.7368 1.0495 0.5928 0.8066 0.0600 0.8803 0.0600 1.2003 0.0600 0.9505 0.6222 2-docosahexaenoylglycerol (22:6) 0.0929 0.0929 0.3539 0.0929 0.5808 0.5161 0.0929 0.0929 0.1915 0.1786 0.0929 0.2309 0.6683 1.8925 1.3898 1.2451 1.9903 1.1136 1.9103 1.0000 0.7163 1.2951 1.0090 1.2730 2-eicosapentaenoylglycerol (20:5) 0.7017 0.4989 1.0175 0.7302 0.6197 0.1291 0.5924 0.2330 1.3736 0.7338 0.8500 0.1291 1.0970 1.2422 0.8576 1.2003 2.0700 1.5588 1.4117 0.8826 1.0000 1.9110 1.2504 1.5006 2-hydroxy-3-methylvalerate 12.9256 0.8268 0.9338 7.6299 1.7960 5.5261 0.7935 2.3679 0.3403 0.3403 0.9623 1.0377 0.3403 0.3403 0.3403 0.3403 0.3403 0.3403 0.3403 0.3403 0.3403 0.4442 0.3403 0.3403 2-hydroxyadipate 0.5900 0.2265 1.2043 12.1839 1.5491 1.4106 1.1619 0.2265 0.3179 1.0000 0.2265 4.4738 0.2265 0.2265 0.2265 0.2265 0.2265 0.4586 0.2265 0.6121 0.2265 0.2265 0.2265 0.2422 2-hydroxyarachidate 0.5972 1.5932 3.2420 1.9602 1.1576 0.8662 1.3661 3.4306 2.0332 1.7579 1.1816 0.8310 0.5554 0.7712 0.6776 0.7063 0.8982 1.4457 0.7242 0.4566 0.7848 1.7382 0.8463 1.1018 2-hydroxybehenate 0.3203 2.5086 2.0260 2.5356 1.1496 1.8701 1.7377 3.7292 2.2506 2.7416 0.4078 0.9687 0.5100 0.7219 0.3014 0.3323 0.4419 1.5992 0.6886 0.2563 0.6542 1.1944 0.4224 1.0313 2-hydroxybutyrate/2-hydroxyisobutyrate 0.8922 0.8536 1.1330 1.8975 0.6725 1.5407 0.7509 3.0780 0.7528 1.4115 0.9067 1.0933 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 2-hydroxydecanoate 1.0000 1.2006 1.6352 1.0337 1.2282 1.0830 0.8920 1.1099 1.0741 1.2995 1.2476 0.9044 0.9237 0.9018 0.7411 1.0727 0.8497 0.8467 0.6727 0.5454 0.7691 1.2956 0.5454 0.8351 2-hydroxyglutarate 2.5933 9.1662 31.0082 14.9035 30.0621 2.8294 2.0611 14.6281 0.9871 2.9896 1.0129 6.5106 0.0260 0.0260 0.1433 0.2389 0.0260 0.1260 0.2625 0.8537 0.1193 0.1962 0.1797 0.4874 2-hydroxyheptanoate 2.6784 0.6475 0.6475 0.9305 1.1452 1.0835 1.1781 1.8080 1.0040 1.0000 0.6475 0.9630 0.6475 0.6475 0.6475 0.6684 0.6475 0.6475 0.6475 0.6475 0.6475 0.9117 0.6667 0.6475 2-hydroxyhippurate (salicylurate) 0.0997 0.0997 0.0997 30.6769 0.0997 3.6148 0.0997 0.0997 0.0997 0.0997 0.0997 4.1350 0.0997 0.0997 0.0997 0.0997 0.0997 1.4232 0.0997 0.5768 0.0997 0.4914 0.0997 0.3561 2-hydroxylignocerate 0.2040 0.2706 3.7356 2.5282 1.3250 1.2752 2.5400 3.4953 2.1775 1.5605 1.0493 3.3075 0.4233 0.9507 0.7562 0.4872 0.4295 2.3191 0.3635 0.2376 0.2648 1.8576 0.1591 0.5684 2-hydroxypalmitate 0.6610 3.1547 4.6780 2.2091 0.5566 0.9698 1.1783 5.9447 2.9140 1.9239 1.2354 1.8363 0.8028 0.7514 0.9068 0.9278 1.0024 2.0274 0.7273 0.6985 0.8937 2.1339 0.9191 0.9976 2-hydroxyphenylacetate 1.7336 1.1070 0.9545 10.3341 0.8797 1.0350 0.4887 0.9079 0.5250 1.0000 1.8064 2.5131 0.4887 0.4887 0.4887 0.4887 0.4887 0.4887 0.4887 1.2297 0.4887 0.5654 0.4887 0.8462 2-hydroxyquinoline 2.4981 2.1935 12.5076 7.8107 15.7708 2.7748 6.8762 6.6866 1.0844 3.6283 1.5817 5.9826 0.3009 0.2528 0.2333 0.3452 0.4157 0.5895 0.3470 0.9018 0.2395 0.9156 0.3166 0.4610 2-hydroxystearate 0.6009 2.0751 2.8134 1.7085 0.9264 0.9932 1.1035 2.7375 2.0197 1.5660 1.4359 1.1174 0.7001 0.7452 0.9487 0.7457 0.9005 1.7737 0.8066 0.6939 0.8863 1.6329 0.7861 1.0068 2-isopropylmalate 3.2840 1.3654 0.2426 7.4365 1.7649 1.4608 0.2030 1.0000 0.3871 1.0916 0.4409 2.2462 0.0857 0.0857 0.0857 0.0857 0.0857 0.1186 0.0857 0.0857 0.0857 0.1602 0.0857 0.0857 2-keto-3-deoxy-gluconate 0.5163 1.0815 3.2049 1.8007 3.4618 0.6692 0.4700 0.7685 0.3414 0.5329 0.6546 1.0756 0.9542 0.8515 0.9474 1.1057 1.0458 43.5619 0.9508 2.3667 0.8898 32.5464 1.1484 1.0958 2-linoleoylglycerol (18:2) 0.3953 0.2381 1.0544 0.5026 2.3867 1.0266 0.5616 0.3791 0.7996 0.8280 0.8121 0.5872 0.8884 2.4629 0.9734 1.2818 1.9190 0.8610 2.5663 1.0535 1.8795 1.6954 1.6871 1.9801 2-methylbutyrylcarnitine (C5) 0.0295 0.0295 0.0295 0.0295 0.0295 0.1904 0.3626 0.0508 0.0992 0.1337 0.0859 0.4119 1.7127 1.7358 2.2636 1.1531 1.4403 1.0903 2.2217 1.5087 1.4829 0.5226 1.2399 0.9097 2-methylbutyrylglycine (C5) 0.2085 0.6059 0.2085 39.7428 0.2085 1.4973 0.2085 0.2085 0.2085 0.2085 0.2085 2.0902 0.2085 0.2085 0.2085 0.2085 0.2085 0.9280 0.2085 1.0000 0.4469 0.2085 0.2085 1.5210 2-methylcitrate/homocitrate 1.0451 1.0000 2.2968 2.5547 2.2777 0.6786 0.4939 1.8290 0.2716 0.6117 0.2716 1.1209 0.2716 0.2716 0.2716 0.2716 0.2716 0.2716 0.2716 0.2716 0.2716 0.6878 0.2716 0.3767 2-myristoylglycerol (14:0) 0.2995 0.4220 1.4694 0.3753 1.0371 0.5401 0.6293 1.9310 0.5064 0.7886 0.3939 0.3918 0.9018 1.7126 1.4916 1.2202 2.2539 1.1914 1.8449 0.9008 0.9629 1.5443 1.1760 1.6732 2-oleoylglycerol (18:1) 0.4720 0.1677 1.0334 0.1960 1.1158 0.6482 0.4318 0.1721 1.0203 0.3553 0.8942 0.7555 1.0167 0.8444 1.1964 1.3944 1.0249 1.0339 1.0265 1.3408 0.6725 1.3910 1.5186 0.9833 2'-O-methylcytidine 0.1598 0.1837 0.4129 1.4941 0.3120 0.4273 0.3423 0.3356 0.2377 0.2253 0.3649 0.5059 2.4802 2.4597 3.6543 2.5850 2.6266 0.1598 2.8635 2.1400 2.5122 0.1598 2.5047 1.8037 2'-O-methyluridine 0.0796 0.1737 0.0796 0.6293 0.0965 0.1359 0.0796 0.0796 0.0796 0.0796 0.0796 0.2572 1.0569 1.0071 1.3131 0.9929 1.0568 0.0796 1.0775 1.0692 1.0795 0.0796 1.0367 0.7066 2-oxindole-3-acetate 13.2209 9.0030 1.0082 1.4991 5.3528 5.4558 4.8700 5.5846 5.0998 1.4917 6.9931 3.9380 0.3951 0.4034 0.3869 0.4409 0.4566 0.9173 0.3665 0.3310 0.2231 0.9918 0.2086 0.4523 2-oxoadipate 1.4437 1.8877 2.2367 1.5332 1.4554 1.0774 1.9862 1.7634 1.5164 1.6145 0.9850 1.0171 0.4462 0.7718 0.6528 0.6907 0.6836 0.6598 0.6202 0.5205 0.5205 0.9876 0.4462 1.0000 2-oxoarginine 0.1138 0.1537 0.4438 1.0554 0.3266 0.2569 0.1344 0.1206 0.1055 0.1612 0.1440 0.2469 1.1579 0.9512 1.0488 1.4944 1.2592 1.4867 1.1304 1.6145 1.0791 1.7087 1.4962 1.4179 2-palmitoleoylglycerol (16:1) 0.7544 0.5566 1.6363 0.6191 0.7452 0.8302 0.7491 0.5566 0.9671 1.0022 0.5566 0.6142 1.0803 1.6143 0.6256 1.4718 2.3811 0.8648 2.2553 0.9978 1.1162 1.7678 1.7011 1.8766 2-palmitoyl-galactosylglycerol (16:0) 0.2483 0.7796 2.5270 0.2483 1.8642 0.2483 0.9076 1.5221 0.4312 1.0924 0.2483 0.2483 0.2483 0.2483 0.2483 0.2483 0.2483 0.2483 0.2483 0.2483 0.2483 0.2483 0.2483 0.2483 2-palmitoylglycerol (16:0) 0.2195 0.8380 3.2491 0.6183 1.5326 0.5157 0.7903 0.4508 0.9924 0.9162 0.0922 0.5610 2.0661 1.1496 1.7757 0.8502 1.0076 1.7269 1.4189 1.1196 1.0603 0.9766 1.3296 1.3904 2-palmitoyl-GPC (16:0) 0.4559 0.2437 0.4270 0.3354 0.3412 0.9267 0.4266 0.3551 0.7482 0.4051 0.7486 0.4345 1.0733 1.5801 1.6041 1.5248 2.4232 2.3203 1.6161 1.4500 1.3423 3.2782 2.8163 2.2362 2-stearoyl-GPE (18:0) 0.4121 0.7737 0.3011 0.3781 0.3080 3.1829 0.7178 0.2911 0.9585 0.3254 0.8625 0.5629 0.9027 1.1414 1.1013 1.0602 1.3929 1.8879 1.0415 1.4507 2.0050 5.0153 3.3677 2.1853 3-(3-hydroxyphenyl)propionate 1.0134 0.0225 2.8466 0.9866 0.0698 0.3975 1.2057 1.9165 0.8762 1.5057 3.3269 0.7069 0.0225 0.0225 0.0225 0.0225 0.0225 0.0225 0.0225 0.0225 0.0225 0.0225 0.0225 0.0225 3-(3-hydroxyphenyl)propionate sulfate 1.2955 0.2051 1.1503 598.5870 0.2051 11.2476 0.8497 0.2051 0.6269 0.4996 0.7240 59.3040 0.2051 0.2051 0.2051 0.2051 0.2051 0.2051 0.2051 0.2051 0.2051 0.2051 0.2051 0.2051 3-(4-hydroxyphenyl)lactate (HPLA) 0.7639 0.6437 0.4993 14.8061 1.4959 5.2739 0.1271 0.1709 0.0925 0.4674 0.9305 3.5849 1.0253 0.8597 0.6323 1.4725 1.1443 3.3590 0.9404 1.2418 0.9747 4.2513 1.3815 2.3301 3-(4-hydroxyphenyl)propionate 0.6287 0.0430 4.4265 1.5248 0.0649 0.2202 1.8032 2.6587 1.3713 1.9117 4.8310 0.2528 0.0324 0.0324 0.0324 0.0324 0.0324 0.0324 0.0324 0.0324 0.0324 0.0566 0.0324 0.0324 3,4-methylene heptanoylglycine 0.2234 0.2234 0.2234 8.5718 0.2234 2.1571 0.2234 0.2234 0.2234 0.2234 0.2234 1.1757 0.2234 0.2234 0.2234 0.2234 0.2234 0.2234 0.2234 0.8243 0.2234 0.2234 0.2234 0.2905 3,5-dihydroxybenzoic acid 1.8400 1.0839 1.0392 1.5275 0.8341 1.2887 1.0769 0.8631 0.8114 0.9608 0.8488 1.2002 0.2885 0.2885 0.2885 0.2885 0.2885 0.6480 0.2885 0.2885 0.2885 0.2885 0.2885 0.2885 3-acetylphenol sulfate 0.2445 0.2445 0.2445 35.8553 0.2445 0.2445 0.2445 0.2445 0.2445 0.2445 0.2445 1.0000 0.2445 0.2445 0.2445 0.2445 0.2445 0.2445 0.2445 0.2445 0.2445 0.2445 0.2445 0.2445 3-aminoisobutyrate 0.6034 0.4751 1.4084 2.0927 1.2391 1.3412 0.8910 0.1627 0.4024 0.4121 1.4090 1.1090 0.1627 0.1627 0.1627 0.1627 0.1627 0.1627 0.1627 0.1627 0.1627 0.1627 0.1627 0.1627 3b-hydroxy-5-cholenoic acid 0.7423 1.7833 0.4802 0.2415 1.5810 0.2415 0.2415 0.8549 1.3627 1.3122 1.1451 0.8201 0.2415 0.2415 0.2415 0.2415 0.2415 0.2415 0.2415 0.2415 0.2415 0.2415 0.2415 0.2415 3-dehydrocholate 3.5134 0.3830 0.3830 0.3830 0.3830 3.2693 0.3830 0.3830 0.3830 0.3830 0.6354 0.3830 0.3830 0.3830 0.3830 0.3830 0.3830 0.4369 0.3830 0.3830 0.3830 1.3646 0.3830 0.3830 3-dehydroshikimate 1.0975 0.7627 4.9811 1.4516 5.7007 0.9743 0.6455 2.6122 0.4181 0.3833 0.7786 0.9495 0.3833 0.3833 0.3833 0.3833 0.3833 1.0257 0.3833 0.3833 0.3833 1.2525 0.3833 0.3833 3-deoxyoctulosonate 1.0252 1.1780 2.1569 1.0842 1.4146 0.7050 1.2768 2.3804 0.5664 1.2723 0.4493 1.0371 0.9748 0.8890 0.7812 0.7252 0.8587 0.3933 0.7838 1.4557 1.1425 0.5137 0.7739 1.1297 3-hydroxy-3-methylglutarate 1.3673 2.1595 7.1249 5.9453 3.3914 1.9521 3.3140 5.8076 0.7957 2.7485 0.9626 2.7789 0.3413 0.3700 0.3102 0.3259 0.3783 1.0795 0.3110 0.3269 0.3175 1.0374 0.2240 0.5093 3-hydroxyadipate 0.6022 0.5914 1.5938 21.0824 2.5836 1.8788 1.1940 0.9608 0.3547 0.7904 0.3547 3.9190 0.3547 0.3547 0.3547 0.3547 0.4694 0.9230 0.3547 1.4955 0.3547 0.4448 0.3547 1.0392 3-hydroxyarachidate 0.3180 0.3180 1.7390 0.6998 1.2005 0.3180 0.7995 0.3180 0.3180 1.7140 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 3-hydroxybehenate 0.6994 1.5505 3.6600 1.6597 0.1995 0.1995 1.8238 0.9995 0.1995 1.0000 1.4792 0.2631 0.1995 0.2225 0.3485 0.4393 1.1226 1.5774 0.3026 0.1995 0.1995 1.5743 0.6261 1.2423 3-hydroxybutyrate (BHBA) 0.4250 0.6174 11.3105 10.9362 1.0000 0.4250 0.4250 20.8956 0.4250 0.4250 0.4250 2.6331 0.4250 0.4250 0.4250 0.4250 0.6935 0.6267 0.4250 0.4250 0.4250 0.4250 0.4250 0.4250 3-hydroxybutyrylcarnitine (2) 0.2776 0.2776 1.8113 0.2776 1.0608 0.4927 1.7122 1.0000 0.8032 1.4579 0.9670 1.0721 0.2776 0.2776 0.2776 0.2776 0.2776 0.2776 0.2776 0.2776 0.2776 0.2776 0.3262 0.2776 3-hydroxyhexanoate 0.8852 0.3673 1.0000 0.6212 3.8335 1.8935 0.5403 1.4566 0.3673 1.3015 1.9565 0.9466 0.3673 0.3673 0.3673 0.3673 0.3673 0.3673 0.3673 0.3673 0.3673 0.3673 0.3673 0.3673 3-hydroxypalmitate 4.4952 7.2488 4.9298 3.5343 2.5454 5.2890 1.7896 2.9191 1.9774 1.5344 1.3535 1.9667 0.5445 0.5991 0.6465 0.6161 0.5080 0.5051 0.6391 0.6365 0.5405 0.5251 0.6445 0.6282 3-hydroxyphenylacetate 1.9008 1.5226 1.6588 0.9258 1.8114 0.6989 0.8263 0.8517 0.6790 1.0742 1.1954 0.6875 0.6790 0.6790 0.6790 0.6790 0.6790 0.6790 0.6790 0.6790 0.6790 0.6790 0.6790 0.6790 3-hydroxypyridine sulfate 0.5387 0.5387 0.5387 31.4525 0.5387 3.8242 0.5387 0.5387 0.5387 0.5387 0.5387 1.0000 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.9359 3-hydroxysebacate 1.3822 1.2104 6.0057 2.7609 1.7853 1.6688 2.2967 2.8930 2.6716 3.0461 1.6937 2.2644 0.5888 0.4851 0.4345 0.5216 0.4958 0.7574 0.6121 0.6593 0.4168 0.6844 0.4920 0.7896 3-hydroxysuberate 0.6631 0.4767 1.1649 3.4931 0.6491 1.2281 0.5086 0.4767 0.6519 0.4943 0.4767 0.9038 0.9642 0.9111 1.0358 1.2996 1.2038 1.4974 0.9481 1.2993 0.9319 1.5414 1.1755 1.7674 3-indoxyl sulfate 0.0068 0.0068 0.0068 3.1465 0.0068 0.3796 0.0068 0.0068 0.0068 0.0068 0.0068 1.6204 0.0068 0.0068 0.0068 0.0068 0.0068 0.0068 0.0068 0.0068 0.0068 0.0068 0.0068 0.0068 3-ketosphinganine 4.5086 3.5571 2.7691 3.6122 4.4076 4.6624 0.8420 4.5844 1.1132 1.0123 0.9877 1.2092 0.0886 0.0423 0.1063 0.0444 0.0844 0.0423 0.1252 0.0423 0.0778 0.0423 0.0423 0.0572 3-methyl-2-oxobutyrate 0.8567 2.4053 3.2992 7.9818 2.4201 1.0000 0.2303 0.3964 0.6568 1.7795 0.5008 2.1316 0.2303 0.2303 0.2303 0.2303 0.2303 0.5774 0.2303 0.6697 0.2303 1.1730 0.2303 0.2303 3-methyl-2-oxovalerate 1.0000 2.4354 4.4880 8.0065 3.0678 1.2673 0.9169 0.3808 0.6030 2.2606 0.7077 2.6385 0.0534 0.0534 0.0534 0.0534 0.0534 0.4462 0.0534 0.3505 0.0534 1.2577 0.0534 0.1394 3-methyladipate 1.0000 0.6139 1.0916 10.4349 0.4615 1.1007 0.5016 1.4488 0.2983 0.2983 0.3025 2.7041 0.2983 0.2983 0.2983 0.2983 0.2983 0.2983 0.2983 0.2983 0.2983 0.2983 0.2983 0.2983 3-methylglutaconate 1.0010 0.4294 1.0746 9.3031 1.6617 1.4305 0.9990 0.4366 0.6237 0.3306 0.5180 2.0961 0.3306 0.3306 0.3306 0.3306 0.3306 0.3306 0.3306 0.3306 0.3306 0.3306 0.3306 0.3306 3-phenylpropionate (hydrocinnamate) 7.4246 27.5286 1.0939 0.4800 33.7265 2.5548 0.2690 0.9061 0.0913 0.0921 0.3257 7.2168 0.0913 0.0913 0.0913 0.0913 0.0913 0.0913 0.0913 0.0913 0.0913 0.0913 0.0913 0.0913 3-sulfo-L-alanine 1.2632 2.9772 11.3261 5.0683 5.5168 2.0599 5.4115 8.5821 1.9372 4.2683 1.7786 2.7343 0.4310 0.3909 0.2878 0.3526 0.2872 0.6854 0.4309 0.4567 0.5096 0.7368 0.4314 0.3517 3-ureidoisobutyrate 1.6382 0.6900 0.8758 2.4900 1.9181 7.0919 0.5996 1.0439 0.7558 0.5662 1.0343 1.8779 0.1122 0.1122 0.1122 0.2370 0.2883 1.1352 0.1122 0.9657 0.1122 2.8362 0.1122 0.1122 3-ureidopropionate 0.8866 2.2260 5.1013 100.9425 3.7510 35.6056 0.8997 6.7525 0.3993 0.4037 0.3518 33.8610 0.2168 0.1920 0.3873 0.1913 0.1913 2.3685 1.0000 7.8476 0.3349 3.9074 0.3733 1.0177 4-acetamidobutanoate 1.0193 0.9807 0.5441 1.9600 1.0264 0.8263 0.3115 1.5455 0.6507 0.4905 1.2351 1.2896 0.3115 0.3115 0.3115 0.3115 0.3115 0.3115 0.3115 0.3115 0.3115 0.3115 0.3115 0.3115 4-acetylphenyl sulfate 0.3530 0.3530 0.3530 9.5865 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 0.3530 1.0000 4-cholesten-3-one 1.4092 1.1377 0.7879 1.0233 1.2819 1.2325 1.4586 1.0311 1.9212 1.6125 2.1667 1.9190 1.0827 0.7083 0.9767 0.4983 0.6863 0.5257 0.8273 0.9584 0.8214 0.5453 0.4735 0.3781 4-ethylphenyl sulfate 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 1.7483 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 0.2517 4-guanidinobutanoate 0.1914 0.1950 0.5794 3.0168 0.5607 0.5061 0.1008 0.1343 0.0655 0.1448 0.1570 0.4692 1.3190 1.9915 1.5330 1.8158 1.7055 1.0414 1.7845 0.9586 1.1329 1.4289 1.3428 2.6584 4-hydroxycinnamate 5.0137 0.7896 1.6489 4.5607 1.2217 1.4297 1.6548 1.1500 0.7391 1.7065 2.2178 1.7295 0.8263 1.1167 0.4399 0.6094 0.4984 0.6776 0.6190 1.0479 0.4064 0.9521 0.3104 0.6171 4-hydroxycinnamate sulfate 0.0194 0.0194 0.0194 1.6050 0.0194 0.0808 0.0194 0.0194 0.0194 0.0194 0.0194 0.0194 0.8647 0.8221 1.0000 1.3712 1.4006 0.0194 0.9480 2.2210 0.8255 0.0194 1.2388 1.4320 4-hydroxyhippurate 0.2807 0.2807 0.2807 6.6584 0.2807 0.4943 0.2807 0.2807 0.2807 0.2807 0.2807 0.6033 0.5100 0.4710 0.2807 2.0338 1.2041 2.3931 0.6112 1.0849 0.8186 1.0000 2.5444 2.8369 4-hydroxymandelate 0.8211 1.0000 1.5987 5.9440 1.1516 1.8279 0.9426 0.3006 0.8188 0.5886 1.3487 1.2053 0.3006 0.3006 0.3006 0.3006 0.3006 0.5453 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 4-hydroxyphenylacetate 2.8390 0.4790 0.8747 1.0453 1.4515 0.9547 1.0465 0.4501 1.1767 1.7341 2.0203 0.8825 0.0428 0.0428 0.0428 0.0428 0.0428 0.0428 0.0428 0.0428 0.0428 0.0564 0.0428 0.0428 4-hydroxyphenylpyruvate 0.8433 2.6014 8.9048 19.1264 3.5698 1.6758 1.1226 1.2716 0.8088 2.8201 0.7590 3.2758 0.1994 0.4298 0.1994 0.2346 0.2621 1.0103 0.4123 1.2825 0.1994 0.9897 0.4250 0.6448 4-imidazoleacetate 0.7792 1.8572 1.3870 19.4822 1.9375 2.5737 0.7929 0.8976 0.8343 1.0102 4.5597 7.6671 0.6549 0.8781 0.7768 1.2522 0.9392 0.9801 0.9898 1.0833 0.7639 0.9429 1.2989 1.6700 4-methyl-2-oxopentanoate 1.1509 2.3556 4.0622 8.1655 2.7356 1.2236 0.8491 0.3908 0.6526 2.1168 0.7432 1.9954 0.0418 0.0418 0.0418 0.0418 0.0418 0.4950 0.0633 0.4316 0.0418 1.4024 0.0418 0.1374 4-methylcatechol sulfate 0.1918 0.1918 0.1918 6.7487 0.1918 0.1918 0.1918 0.1918 0.1918 0.1918 0.1918 1.0000 0.1918 0.1918 0.1918 0.1918 0.1918 0.1918 0.1918 0.1918 0.1918 0.1918 0.1918 0.1918 4-methylthio-2-oxobutanoate 0.9833 4.3156 7.6922 18.3402 4.7720 2.1228 1.0000 0.9784 0.4199 2.5939 0.7483 2.9293 0.2717 0.2717 0.2717 0.2717 0.2717 0.2717 0.4329 0.2717 0.2717 0.6263 0.2717 0.2717 4-vinylphenol sulfate 0.5044 0.5044 0.5044 10.3752 0.5044 1.0000 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 0.5044 5-(2-Hydroxyethyl)-4-methylthiazole 2.4659 0.6710 0.6710 0.6710 0.6710 0.6710 1.1667 0.6710 0.6710 0.6710 1.0080 0.9920 0.6710 0.6710 0.6710 0.6710 0.6710 0.6710 0.6710 0.6710 0.6710 0.8492 0.6710 0.6710 5,6-dihydrouridine 0.8977 2.1736 3.8810 9.6454 2.9723 2.2391 1.7535 1.9248 1.0644 1.7963 0.8699 3.4277 0.9176 0.6701 0.9356 0.6566 0.8678 1.2589 0.9127 1.3369 0.8773 0.8856 0.7330 0.6630 5-aminovalerate 7.6835 5.1069 6.1946 3.3975 6.7002 12.5690 3.1371 1.9156 2.8348 4.3296 3.4587 4.6359 0.0486 0.0470 0.0331 0.0670 0.0657 0.0560 0.0476 0.0566 0.0496 0.0844 0.0695 0.0393 5-dodecenoylcarnitine (C12:1) 0.0392 0.0392 0.0392 0.0392 0.0392 0.1341 0.1473 0.0392 0.0392 0.0749 0.0392 0.1881 1.4087 1.4249 1.7239 0.9660 1.3176 1.5984 1.4896 1.3171 1.0638 1.0000 0.9134 0.7288 5-hydroxyhexanoate 2.5435 3.9557 6.0719 4.0302 4.7333 1.0731 1.9943 1.5401 1.1374 2.2150 2.9184 0.9269 0.3008 0.3008 0.4995 0.3153 0.4649 0.3410 0.5874 0.5034 0.3008 0.5543 0.5088 0.6057 5-hydroxyindoleacetate 3.8490 1.0161 0.9839 4.7169 0.1580 1.7013 0.6302 0.3452 1.2071 0.7449 1.0788 3.2595 0.1580 0.1580 0.1580 0.1580 0.1580 0.3636 0.1580 0.2792 0.1580 0.1580 0.1580 0.1580 5-hydroxylysine 0.3550 0.4992 0.7826 0.4193 1.3232 1.5959 0.3636 0.6663 0.3550 0.5409 0.7194 0.5275 1.4244 0.7426 0.3550 1.2174 0.7468 6.0292 1.3961 1.8704 2.2308 5.6524 2.7367 1.5296 5-methyl-2'-deoxycytidine 0.9088 0.7477 0.9745 0.8432 1.0254 0.7368 0.8798 1.0613 0.6230 1.0700 0.9746 0.7052 2.2276 1.8516 2.5569 2.3033 2.3006 0.5377 2.1193 0.7166 2.3240 0.9112 2.8925 2.0962 5-methylcytidine 0.9310 1.4229 1.6571 1.3101 3.0673 2.7199 1.7731 1.9872 1.3235 1.7785 2.5272 1.8154 0.8410 0.7672 1.0000 0.9841 0.9569 0.2586 0.8854 0.2586 0.7286 0.4337 0.8557 0.6339 5-methylcytosine 1.8316 0.4327 0.6564 4.4226 4.6976 7.2938 0.4327 0.4327 0.4327 0.5238 0.4327 2.2614 0.8745 0.8054 0.7169 1.0552 1.1146 0.5001 0.8827 1.1168 0.9562 0.9179 1.0438 1.0978 5-methylthioadenosine (MTA) 0.3269 0.3511 0.6319 0.5298 0.9904 0.1036 0.1007 1.0191 0.1007 0.2458 0.1007 0.1007 1.5841 1.9965 1.8109 1.7759 2.2635 0.3149 2.0198 1.0000 1.3561 0.2891 1.4093 2.2140 5-methyluridine (ribothymidine) 1.7674 1.8913 6.5996 3.5099 8.2435 2.9427 1.4696 4.1247 1.0000 1.8910 1.1534 2.7861 0.5853 0.5156 0.7409 0.6145 0.5909 0.0938 0.7510 0.0938 0.6323 0.1388 0.6082 0.4270 5-oxoproline 0.6575 1.2182 1.6285 1.7385 1.6428 0.8704 0.8920 0.9762 0.5419 0.8982 0.4890 1.0210 0.8788 0.9790 0.7071 0.8752 0.8014 1.2001 1.0395 1.1741 1.1168 1.2011 1.2647 1.1168 6-beta-hydroxylithocholate 1.3075 1.2844 0.2589 0.3068 0.8298 1.2313 0.3408 0.7074 1.1702 0.8199 2.3055 1.2693 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 6-hydroxynicotinate 0.9698 4.6284 9.6029 3.4227 4.5633 0.5239 1.0000 3.4688 0.5076 0.8870 0.5076 2.4258 0.5076 0.5076 0.5076 0.5076 0.5076 0.7883 0.5076 0.5076 0.5076 0.9185 0.5076 0.5076 6-oxolithocholate 0.7855 3.6517 0.6801 0.4053 1.6333 0.2839 0.4213 4.9429 0.6304 2.3146 1.2145 3.4492 0.2839 0.2839 0.2839 0.2839 0.2839 0.2839 0.2839 0.2839 0.2839 0.2839 0.2839 0.2839 6-oxopiperidine-2-carboxylate 0.7115 0.4839 0.4839 0.4839 2.0116 3.0598 2.7429 0.5546 4.2790 5.1696 6.8591 6.5008 0.9858 1.7104 0.8163 1.5421 0.8581 0.9474 0.8287 1.0000 1.1060 0.8775 0.8610 0.4839 7-HOCA 0.8012 0.6609 0.3024 0.4396 1.9865 1.2396 0.3024 0.3024 0.4641 1.1763 0.9446 0.3024 1.5349 1.9219 1.0733 0.4179 0.4624 0.3431 3.2498 1.1982 1.1717 0.5056 1.4682 1.0000 7-hydroxycholesterol (alpha or beta) 1.8276 2.5109 1.6103 0.9467 0.3028 1.9365 1.3525 0.9858 1.7776 1.1577 1.2676 1.1108 0.6518 0.3028 0.3028 0.6092 0.8284 0.7415 0.3028 0.5429 0.4984 1.1622 0.6107 1.0000 7-ketodeoxycholate 6.1345 2.1225 0.2683 0.5273 1.3818 6.6438 0.3754 0.9907 0.8971 1.0093 1.9911 1.9722 0.0366 0.0366 0.0366 0.0366 0.0366 0.0366 0.0366 0.0366 0.0366 0.1362 0.0366 0.0366 7-ketolithocholate 1.2497 3.0651 0.7503 0.6587 1.5880 0.5238 0.4910 1.4372 0.7158 1.2672 0.5992 1.9899 0.4910 0.4910 0.4910 0.4910 0.4910 0.4910 0.4910 0.4910 0.4910 0.4910 0.4910 0.4910 7-methylguanine 0.2560 0.3978 0.4354 3.3552 0.3768 2.0165 0.3021 0.2999 0.2732 0.3000 0.2743 1.0514 1.0758 0.9112 1.0247 1.0490 1.0642 1.0724 1.1378 1.2272 1.0025 0.9975 0.9498 1.0444 9,10-DiHOME 2.1703 2.2159 4.8031 3.5515 3.0236 1.1679 2.1819 4.2510 2.1715 2.4003 0.9629 1.7214 0.9368 0.9541 0.8505 0.7578 0.6742 0.9104 0.9614 0.8090 0.6971 1.0371 0.8347 0.8769 acetylcarnitine (C2) 0.3726 0.1489 0.2841 0.9582 0.0659 0.2631 0.2990 0.4074 0.3196 0.5952 0.4482 0.8444 1.3495 1.1755 1.7085 1.0418 1.3924 2.2757 1.3091 2.2803 1.8771 1.4710 1.8363 1.2445 aconitate [cis or trans] 0.1223 0.1220 0.9503 64.6034 0.4041 2.7442 0.3923 0.5446 0.2356 0.2674 0.8967 12.9968 1.1389 1.0497 0.9163 1.1349 0.6947 1.5538 1.4641 4.2485 0.9446 1.2328 1.2773 3.2480 adenine 40.5259 34.1962 1.4510 4.6213 1.3430 3.2341 2.4081 40.5766 12.8703 5.0771 15.1384 13.6277 0.5892 0.5891 0.4179 0.4434 0.5039 0.6570 0.5454 0.4104 0.4697 0.4975 0.4413 0.5315 adenosine 44.9508 9.9342 2.6364 2.4586 3.0981 1.3908 1.1914 41.4825 6.4425 4.4211 18.5423 10.0686 0.6819 0.4890 0.7352 0.6822 0.6489 0.6481 0.5625 0.8086 0.4354 0.4823 0.5982 0.5417 3'-AMP 0.4745 0.4745 24.5646 0.8950 40.7310 2.0549 0.4745 0.4745 0.4745 0.8599 0.4745 1.0000 0.4745 0.4745 0.4745 0.4745 0.4745 0.4745 0.4745 0.4745 0.4745 0.4745 0.4745 0.4745 AMP 0.6839 0.4335 0.4335 0.9478 10.2300 1.2678 1.1186 1.1197 0.5978 1.4170 0.8677 1.0000 0.4335 0.4335 0.4335 0.4335 0.4335 0.4335 0.4335 0.4335 0.4335 0.4335 0.4335 0.4335 adenosine-2',3'-cyclic monophosphate 0.1556 0.1556 2.1953 0.8787 1.1213 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 0.1556 adipate 0.8011 0.8217 1.2872 2.9033 1.4895 1.0490 0.9510 1.5837 0.7289 0.8112 0.5310 1.0625 0.5310 0.5310 0.5310 0.5310 0.5310 0.5310 0.5310 0.5310 0.5310 0.5310 0.5310 0.5310 adipoylcarnitine (C6-DC) 0.5766 0.5766 0.5766 1.5155 0.5766 0.8335 0.5912 0.5766 0.5766 0.5766 0.5766 0.5766 0.6828 0.7091 1.1314 1.2070 1.3272 1.4664 1.0048 1.2886 0.7971 0.7234 0.9952 1.2389 adrenate (22:4n6) 0.9611 2.4293 1.7408 2.0886 1.1456 1.3017 2.4728 1.8057 3.2404 3.5058 1.1185 1.0901 0.8544 0.6521 0.8201 0.6561 0.8444 0.8177 0.4839 0.5870 0.5442 1.0389 0.9169 0.8084 afromosin 1.0000 0.1726 0.1726 0.6390 0.1726 1.4585 0.6724 0.1726 0.4679 0.5932 0.6283 0.7256 1.1334 0.7473 1.2209 1.6793 0.9460 20.7136 0.8831 7.6956 1.3798 5.9825 2.1361 1.8181 agmatine 1.6701 0.7863 2.2310 1.5050 1.9080 0.9777 1.6807 1.8938 1.0138 3.6294 1.0000 0.9751 0.5582 0.5046 0.5046 0.5046 0.5046 0.6867 0.6519 0.5046 0.5046 1.6275 0.7533 0.5056 alanine 0.6488 1.0802 4.0620 3.0029 3.2732 1.9392 1.9559 0.9242 1.2492 2.5977 1.4479 1.5159 0.7034 0.9539 0.7103 0.5967 0.4559 0.9172 1.0605 0.6039 0.7746 1.0461 0.4384 0.8959 alanylleucine 0.8593 0.6796 19.6272 7.3154 9.6568 1.7391 3.2239 2.6517 1.7194 4.3481 2.3131 1.5665 0.7869 0.7740 0.4274 0.6069 0.5316 0.4889 0.9699 0.6836 1.0301 0.6929 1.0725 0.5561 allantoic acid 0.4937 0.4937 0.4937 11.1131 0.4937 2.5967 0.4937 0.4937 0.4937 0.4937 0.4937 27.8684 0.4937 0.4937 0.5225 0.4937 0.4937 1.0434 0.4937 0.4937 0.4937 1.0000 0.6866 0.8129 allantoin 0.0103 0.0178 0.0018 4.7869 0.0018 0.8681 0.0018 0.0018 0.0019 0.0018 0.0018 0.8773 0.9289 0.8295 0.8075 1.1214 1.0528 1.2450 1.0000 1.3486 1.0710 1.1721 1.2366 1.5323 allo-threonine 1.7266 0.9405 3.9509 0.6277 1.0063 0.7043 2.1426 1.9655 0.5210 0.5210 0.7417 0.5210 0.5210 0.5210 0.5210 0.5210 0.5210 1.8951 0.5210 0.5210 0.5210 0.9937 0.5210 0.5210 alpha-hydroxyisocaproate 4.6107 0.2252 0.6200 1.6109 1.4281 2.4026 0.5219 3.5870 0.2252 0.3720 0.6962 1.0000 0.2252 0.2252 0.2252 0.2252 0.2252 0.2252 0.2252 0.2252 0.2252 0.2252 0.2252 0.2252 alpha-hydroxyisovalerate 6.0395 1.3657 1.4184 3.2124 1.4609 2.8180 1.0493 4.1560 0.4078 0.4713 0.9546 1.0454 0.1548 0.1548 0.1548 0.2158 0.2231 0.4355 0.1548 0.1548 0.1548 0.4784 0.1548 0.3674 alpha-ketoglutaramate 0.9692 1.6488 1.6237 19.0358 2.5235 1.8621 0.9685 1.2968 1.0161 1.4859 0.9672 5.2427 0.5578 0.5686 0.7592 0.5810 0.7861 1.5434 0.6484 1.4480 0.9994 0.9721 1.0006 0.9201 alpha-ketoglutarate 1.1165 6.7729 7.7488 9.2707 3.5518 0.9670 1.5681 3.3882 0.7962 2.4064 0.7938 3.0317 0.3167 0.3644 0.2935 0.3208 0.3032 1.6038 0.3843 1.0330 0.4094 3.1861 0.4144 0.8207 alpha-muricholate 2.6084 2.1669 0.0967 0.2778 1.0154 1.5011 0.2158 0.9846 1.4485 1.0198 2.1507 0.6295 0.0035 0.0035 0.0035 0.0035 0.0035 0.0035 0.0035 0.0035 0.0035 0.0127 0.0035 0.0035 alpha-tocopherol 1.7817 1.4718 1.1043 1.1863 1.4201 1.1032 1.0689 1.1366 1.7936 1.4779 1.4717 1.6119 0.7142 0.5973 0.7501 0.7618 0.9311 0.9023 0.6637 0.8489 0.6747 0.7601 0.6889 0.5947 alpha-tocopherol acetate 0.3023 0.1721 0.5044 0.5479 0.3172 0.3929 0.8301 0.3235 0.4774 0.4971 0.2455 0.6748 1.2927 1.2901 1.4597 1.3951 1.5077 1.1699 1.5198 1.7732 1.6053 1.4891 1.7607 1.5232 alpha-tocotrienol 1.2592 1.4715 0.7173 1.0956 1.2964 1.1557 0.6424 0.8156 1.3242 1.0603 1.8669 1.9754 0.6956 0.8474 0.6628 0.8379 1.0758 0.9920 0.7741 1.1161 0.8024 1.0080 0.9105 0.6189 anserine 1.1159 0.8848 2.2347 1.8140 1.4056 0.6996 1.6732 1.4619 1.5372 1.5679 0.9958 1.1691 0.9193 0.9149 0.8057 0.9757 0.9174 0.8857 0.9804 1.0042 0.8064 0.9836 1.1178 1.0651 anthranilate 1.0970 0.9648 1.2122 4.9941 0.8235 1.0647 1.0631 0.7193 0.8874 1.0000 0.3993 3.3560 0.3993 0.3993 0.3993 0.3993 0.3993 0.3993 0.3993 0.3993 0.3993 0.5902 0.3993 0.3993 apigenin 2.3028 0.5010 0.5942 1.3874 0.9061 4.8022 2.1792 0.6966 2.2707 1.7946 1.4721 1.3359 1.0939 0.6853 0.7856 0.8568 0.6108 17.9347 0.7831 1.3420 0.8828 9.9717 0.6681 0.4470 apigenin 7-O(6-malonyl-beta-D-glucoside) 0.6548 0.6548 0.6548 0.6548 0.6548 0.6548 0.6548 0.6548 0.6548 0.6548 0.6548 0.6548 1.1541 0.9960 0.9397 0.7752 1.0040 0.8570 1.0815 1.0482 0.9352 1.2092 1.0130 0.6548 arabinose 1.0755 0.8115 1.4940 1.2472 1.6855 1.3511 2.3517 1.0451 1.0497 1.5920 1.0868 1.7630 0.6717 0.5838 0.6903 0.8193 0.7491 0.6714 0.7064 1.0046 0.7426 0.9954 0.8594 0.7824 arabitol/xylitol 0.0023 0.0049 0.0318 0.1362 0.0349 0.0176 0.0035 0.0069 0.0023 0.0046 0.0025 0.0284 1.1989 1.0134 1.0000 1.2190 1.1293 1.1880 1.1540 1.3891 1.2973 1.4769 1.4956 1.4147 arabonate/xylonate 0.0236 0.0185 0.0403 0.1293 0.0331 0.0327 0.0150 0.0176 0.0101 0.0125 0.0229 0.0335 2.0828 1.8707 2.0422 1.9994 1.8813 2.1377 2.2500 2.5859 2.0322 2.2144 2.3753 2.6355 arachidate (20:0) 0.8714 0.8159 2.3788 0.7684 0.7228 0.8081 1.0534 0.9047 1.4444 0.8933 1.2126 0.7642 0.7006 0.9216 1.1046 1.1573 1.0858 1.3798 0.9466 1.0729 0.8471 2.1697 1.3146 1.2385 arachidonate (20:4n6) 0.9767 1.6984 1.0652 1.1938 0.7842 1.9450 1.0979 0.8456 1.4443 1.1531 1.1043 1.1631 0.7848 0.8047 0.7283 0.7800 0.9331 1.7841 0.8665 0.8828 0.8597 1.5075 1.0233 0.9030 arachidonoyl ethanolamide 0.3995 0.8686 0.3995 0.3995 0.6314 1.0590 0.3995 0.3995 0.3995 0.3995 1.0381 1.5638 0.6652 1.0080 0.3995 0.6327 0.5060 1.7615 0.8704 2.2308 0.9920 2.0644 1.5012 0.3995 arachidonoylcarnitine (C20:4) 0.5974 0.1450 0.1450 1.0369 0.3211 1.7133 1.0000 0.3843 0.9574 0.7593 0.3195 1.2987 1.1299 0.7562 1.0465 0.7373 1.1028 2.3025 1.1784 1.4444 1.2255 1.2540 0.9106 0.7270 arachidoylcarnitine (C20) 1.8008 2.3771 0.6515 1.0000 0.5922 1.0457 0.7561 1.3890 0.9501 0.5922 0.7457 1.2987 0.5922 0.5922 0.5922 0.5922 0.5922 0.5922 0.5922 0.5922 0.5922 0.5922 0.5922 0.5922 argininate 0.1598 0.4786 0.7609 1.8598 0.4732 1.0254 0.3582 0.5332 0.3054 0.4508 0.1837 1.4842 1.0350 0.8626 0.8743 1.3340 1.1790 2.8033 1.0527 1.2519 0.9746 2.9200 1.5154 2.2357 arginine 0.1692 0.1129 2.0993 1.6645 1.2500 0.8954 0.7105 0.0485 0.5899 0.6025 0.7562 0.3737 1.2206 1.2435 0.8486 0.9519 0.7227 1.1147 1.4742 1.0481 2.0218 1.2256 1.7336 1.2875 asparagine 0.0481 0.0385 0.9115 0.7114 0.1496 0.0608 0.0537 0.0703 0.0596 0.0938 0.6405 0.0608 1.5256 1.6205 1.1229 1.2793 1.0885 1.3094 1.9932 1.8472 2.3856 1.4665 2.6800 2.1402 aspartate 0.2402 0.6191 3.2833 1.5230 2.4195 0.9741 1.3725 1.0340 0.8506 2.0112 0.7490 1.4436 0.8120 0.9257 0.7471 0.6149 0.5440 1.3011 0.9653 1.0364 1.1378 1.2613 1.0259 0.8388 azelate (nonanedioate; C9) 1.8448 1.8244 7.0485 2.9810 2.5728 1.1349 2.6983 3.6087 2.2940 4.0468 1.8872 2.1809 0.2427 0.3603 0.2184 0.3348 0.3596 0.5260 0.3195 0.2039 0.1665 0.7846 0.2087 0.8651 behenoyl ethanolamide (22:0) 1.2103 1.2619 1.2583 1.2247 0.9090 0.5823 1.6438 1.9888 1.8203 1.3098 1.0910 1.6580 0.3651 0.2193 0.2193 0.2193 0.2193 0.5799 0.2193 0.3758 0.4867 0.3881 0.3895 0.3090 benzoate 1.0254 1.1027 0.5638 0.8893 1.0874 1.0286 0.7171 0.6341 0.7989 1.0312 1.1523 2.4062 0.9969 0.8979 0.8401 1.0541 1.3721 1.0683 1.0384 0.7762 0.8307 0.9486 0.5014 1.0031 beta-alanine 1.2255 1.4923 4.9813 3.6128 3.3428 1.2116 2.3308 6.1682 0.2460 0.7884 0.5978 2.6894 0.1774 0.1774 0.2902 0.1774 0.1774 0.4676 0.1774 0.2678 0.1774 0.5846 0.1774 0.4824 beta-citrylglutamate 0.0298 0.0298 0.0435 0.0462 0.0298 0.0298 0.0298 0.0298 0.0298 0.0443 0.0298 0.0298 0.9882 1.0128 1.0118 0.8619 1.0204 1.3473 1.0334 1.0671 0.5286 1.2321 0.7744 1.1745 beta-cryptoxanthin 1.1651 0.9256 0.3302 0.6014 1.2364 1.3631 0.4777 0.6104 0.7940 0.7758 1.4671 1.3101 1.0638 0.8336 0.9082 1.1164 1.2218 1.1746 1.0242 1.0751 0.9601 1.0803 0.9758 0.7887 beta-guanidinopropanoate 1.0261 1.2886 1.9598 4.9056 2.9389 1.4169 0.8792 0.7696 0.9645 1.8530 1.9956 1.8913 0.2323 0.2323 0.5842 0.8143 0.2323 0.9739 0.2323 0.6459 0.2323 0.2323 0.2323 0.3777 beta-hydroxyisovalerate 2.0619 1.5766 2.1204 1.0422 2.7141 1.4050 1.1344 1.4683 1.1417 1.3281 1.9494 1.1813 0.4968 0.5444 0.5254 0.6241 0.6709 0.8674 0.8165 0.9578 0.4241 0.8388 0.6318 0.4975 betaine 0.6374 0.3836 0.2597 2.1706 0.3469 0.6791 1.0158 0.7360 0.2358 0.4179 0.4407 0.7845 1.0302 1.1003 0.9908 0.9066 1.0092 1.0322 1.4749 1.3370 1.5103 1.4123 1.8316 1.0767 beta-muricholate 9.2624 8.7035 1.5497 2.5134 7.3583 8.6578 1.9923 5.2188 6.7975 7.4515 10.4963 4.4243 0.0060 0.0064 0.0043 0.0078 0.0069 0.1952 0.0102 0.0134 0.0065 0.4503 0.0161 0.0088 beta-sitosterol 1.2996 1.0444 0.4527 0.7652 0.9360 1.1884 0.5463 0.6651 1.0473 0.8619 0.9274 0.7918 1.0821 0.7955 1.1359 1.2030 1.0751 1.2509 0.9895 0.9796 0.9678 1.0536 1.0105 1.1654 betonicine 2.0303 0.0664 0.2429 0.5520 0.0980 1.0395 0.0664 0.1111 0.0664 0.1121 0.0820 0.1653 1.1341 0.9568 0.9093 1.0915 1.0134 1.3405 1.1183 1.4495 0.9866 1.3476 1.2747 1.2771 bilirubin (E,E) 4.9850 0.3503 0.3503 0.7974 1.0190 3.9439 0.3503 0.6198 1.6783 0.5224 0.9810 0.9417 0.3503 0.3503 0.3503 0.3503 0.3503 4.4282 0.3503 0.3503 0.3503 3.8202 0.3503 0.3503 bilirubin 4.0699 1.1076 0.3975 1.1313 1.7701 6.1704 1.0303 1.0267 1.7404 0.9423 2.2532 1.4115 0.7489 0.7665 0.9562 0.9733 0.8296 4.6655 0.9276 0.6016 0.7369 3.7768 0.4406 0.4595 biliverdin 2.4072 0.4273 0.2852 0.7191 0.9437 3.3220 0.6838 1.0874 1.1982 0.9956 0.6623 0.7905 1.0044 0.5874 1.2890 0.9407 0.9611 3.3687 1.1088 1.5038 1.0657 1.2403 1.3909 0.7034 biopterin 0.3636 0.3636 0.8455 2.5083 0.5147 0.3636 0.3636 0.3636 0.3636 0.3636 0.3636 0.4452 0.9342 0.7636 0.8266 1.3572 1.2764 1.4151 0.9871 1.0000 1.0387 1.2059 1.2556 1.9184 biotin 1.5208 2.6137 0.4602 0.6482 0.4906 1.0298 0.9837 1.1376 0.3387 0.6708 1.0163 1.3260 0.3387 0.3387 0.3387 0.3387 0.3387 0.3387 0.3387 0.3387 0.3387 0.3387 0.3387 0.3387 butyrylglycine (C4) 0.1514 0.4034 0.8628 66.4409 1.3248 3.9307 0.1514 0.2319 0.1514 0.1514 0.3288 5.8508 0.1514 0.1514 0.1514 0.1514 0.3661 1.2609 0.1514 2.7854 0.1514 0.1514 0.2415 1.1372 caffeic acid sulfate 0.0434 0.0434 0.0434 0.9788 0.0434 0.1484 0.0434 0.0434 0.0434 0.0434 0.0434 0.0434 0.9644 0.7991 1.0365 1.3837 1.4445 0.0434 1.0000 1.2085 0.8564 0.0434 1.1901 1.8053 campesterol 1.1876 1.0802 0.3629 0.7534 0.7411 1.1833 0.4387 0.5366 1.0507 0.7195 0.7806 0.8167 1.1070 0.8486 1.1325 1.1037 1.1296 1.3449 0.9963 0.9734 1.0037 1.2080 1.0623 0.9791 caproate (6:0) 1.0291 2.2204 2.6941 0.9199 2.2908 0.5443 0.8672 0.9312 3.6500 0.8222 1.0797 0.5443 0.5443 0.9509 0.8841 0.5997 1.1972 1.0000 0.9361 0.5443 0.5443 1.3062 0.5443 1.5055 caprylate (8:0) 1.2793 1.4352 0.4002 0.3729 0.9219 0.2952 0.5781 0.6276 0.9014 0.6199 1.0781 0.2952 2.5294 1.4387 1.5899 0.8885 1.2634 1.1811 1.1090 0.2952 0.5669 1.2643 0.3599 1.3693 carboxyethyl-GABA 0.6948 0.8444 1.7534 1.1298 1.9879 1.3317 1.3350 3.2559 0.5109 1.2506 1.0481 1.0479 0.9703 0.8852 1.0060 0.9090 0.8988 0.8610 0.9940 1.0549 0.8354 1.0879 0.9006 0.9140 carnitine 0.5236 0.2818 0.3582 3.5782 0.4861 0.5334 0.4786 0.8086 0.3926 0.4296 0.1974 1.1600 1.3207 1.2719 0.9843 0.8147 1.0157 1.7341 1.3041 2.0290 2.1644 1.0938 1.5658 1.1299 carotene diol (1) 1.0713 0.8116 0.5166 0.8755 1.0136 0.8560 0.5673 0.6941 0.7749 0.6899 1.3078 1.2340 1.0683 1.0916 0.9864 1.1243 1.1440 1.0686 0.9759 1.0939 0.9288 1.1244 1.0975 0.7252 carotene diol (2) 1.2712 1.3827 0.6926 1.0192 1.7217 1.4369 0.7391 0.8074 0.9527 1.1863 1.6676 1.4644 1.1010 1.0343 0.6555 1.0348 1.1052 0.8378 0.9808 0.7757 0.9072 0.7084 0.8737 0.6501 carotene diol (3) 0.7546 0.8995 0.6915 0.8550 1.6470 1.4161 0.7139 0.9230 0.6690 0.9655 1.4038 1.3253 0.9950 0.8839 1.2023 1.1498 1.1261 1.3505 1.0004 1.3524 0.9996 1.1568 1.2481 0.7849 catechol sulfate 0.0058 0.0112 0.0058 14.0658 0.0058 1.0000 0.0058 0.0058 0.0058 0.0058 0.0058 1.5009 0.0058 0.0058 0.0058 0.0058 0.0058 0.0058 0.0058 0.0058 0.0058 0.0058 0.0058 0.0058 ceramide (d18:1/14:0, d16:1/16:0) 1.1768 1.8231 1.9172 1.6393 1.8331 1.2254 2.1322 1.4890 2.2007 2.2217 1.7383 2.6514 0.4867 0.5730 0.4997 0.6007 0.5267 0.8015 0.6562 0.7700 0.5461 0.8232 0.7245 0.5812 ceramide (d18:1/17:0, d17:1/18:0) 2.1000 2.7402 0.2530 1.6529 0.5996 1.9823 1.7602 1.1671 2.1114 2.0129 2.2313 2.7537 0.5150 0.2770 0.2976 0.2530 0.5098 1.4679 0.2530 0.5991 0.5189 0.8329 0.4636 0.7606 ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0) 1.4692 1.6641 1.4044 1.3234 1.2694 0.8435 1.8096 1.2263 1.4184 1.9213 0.7657 1.1565 0.1315 0.1583 0.1571 0.2220 0.1315 0.2730 0.1315 0.1846 0.1315 0.3589 0.1315 0.2194 ceramide (d18:2/24:1, d18:1/24:2) 0.9152 1.2391 1.2026 0.9644 1.1305 0.5614 1.2982 0.8929 0.8225 1.9340 1.0356 1.1314 0.1737 0.1737 0.1737 0.1737 0.1737 0.1737 0.1737 0.1737 0.1737 0.4412 0.1737 0.1737 chiro-inositol 0.0261 0.0450 0.1064 0.0924 0.0897 0.1715 0.0384 0.1070 0.0261 0.0261 0.0520 0.0261 1.4575 0.9089 1.0083 1.1952 1.0000 15.8664 1.2381 1.2129 1.0675 17.8176 1.3029 1.4667 cholate 18.1167 2.6158 0.6028 1.5348 1.3140 23.7314 1.0000 0.7512 3.3742 2.7255 8.8732 1.2922 0.0203 0.0139 0.0112 0.0203 0.0112 0.3576 0.0232 0.0419 0.0178 1.2223 0.0112 0.0112 cholesterol 0.9781 1.8169 0.4981 1.0607 0.8024 1.4746 0.6947 0.4503 0.9628 0.6547 0.6728 0.7539 1.0219 0.8454 0.9250 1.0994 1.0383 1.4693 0.7633 1.1037 1.0873 1.5624 1.2163 1.1443 choline 0.6627 0.7775 0.7318 0.9922 0.8760 1.0078 0.7419 0.4125 0.2793 0.6060 0.8522 1.3726 3.7892 3.2718 3.9333 5.9477 6.0976 0.4042 4.1375 5.0041 4.7279 0.4617 9.2431 4.9202 phosphocholine 1.4059 1.0057 0.8453 0.9943 3.9677 2.3973 10.6172 10.4838 4.6393 6.7597 5.3173 15.6205 0.1126 0.1023 0.0946 0.0487 0.0501 1.3091 0.0948 0.1188 0.0985 1.1424 0.1218 0.1062 chrysoeriol 0.2925 0.2925 0.2925 0.2925 1.2291 1.1633 0.2925 0.4173 0.5673 0.4447 1.0000 1.0568 0.2925 0.2925 0.2925 0.2925 0.2925 0.2925 0.2925 0.2925 0.2925 1.9567 0.2925 0.2925 citrate 0.2117 0.0431 0.4620 3.6861 0.2930 0.8114 0.3577 0.2679 0.1918 0.2608 0.4539 0.7778 2.2005 1.7888 1.4281 1.9728 1.0871 0.9129 2.8360 1.7405 1.7548 1.6827 2.0785 2.2281 citrulline 1.7165 2.8478 12.0131 2.6574 7.9707 2.2461 5.1061 4.3652 3.1859 7.9749 2.5525 4.2949 0.0928 0.0787 0.0381 0.1066 0.0655 0.0828 0.1200 0.1481 0.2835 0.1371 0.2749 0.1038 creatine 0.0349 0.0214 0.0150 2.1503 0.0164 0.3079 0.0526 0.0309 0.1113 0.0673 0.0296 0.0892 1.0102 1.3143 1.3331 0.9898 1.2177 1.7341 1.4220 1.4293 1.1125 1.4713 1.0194 1.1344 creatinine 0.0072 0.0099 0.0082 0.8508 0.0129 0.1105 0.0084 0.0123 0.0063 0.0079 0.0118 0.1664 1.4482 1.5017 1.1492 1.6482 1.2779 1.5964 1.3226 1.6357 1.4435 2.1967 2.0175 1.9349 cystathionine 0.7367 0.3343 0.3619 0.5993 0.4703 0.5311 0.7930 0.3343 0.3343 0.4442 0.4150 0.4871 1.5469 1.0337 0.9841 1.2528 1.0159 1.4893 1.2534 1.5093 1.1258 1.8460 1.1077 1.5073 cysteine 0.6960 0.7767 0.9262 0.9915 0.9125 0.9912 0.6340 0.5176 0.7445 0.8330 0.7166 0.6235 1.3496 1.2051 1.3361 1.4800 1.6572 3.0041 1.4576 2.6236 1.2909 2.1784 1.0085 1.7549 cysteine s-sulfate 0.1093 0.1043 0.0687 0.2649 0.1064 0.4650 0.1216 0.0114 0.2461 0.2696 0.2011 0.2484 2.7927 2.6377 2.7023 2.5322 1.8916 1.6477 3.4765 1.5350 3.0983 2.5668 2.7434 2.2080 cysteine sulfinic acid 0.3548 0.1563 0.6059 0.6735 0.6352 0.9049 0.7168 0.1563 0.5673 0.8768 0.8105 0.6527 1.3718 1.7459 1.1852 1.0000 1.0456 1.6523 1.8935 1.4637 1.6433 1.8786 1.6993 1.1975 cysteinylglycine 0.2008 0.1095 0.1913 0.6333 0.1300 0.3406 0.7663 0.1079 0.1079 0.2926 0.1079 0.1079 1.3621 1.0000 1.0408 1.0232 1.0290 1.7866 1.1053 1.2625 0.8040 1.7019 1.3440 1.1821 cystine 0.0716 0.0716 0.0716 0.1333 0.0716 0.0716 0.0716 0.0716 0.0716 0.1177 0.0716 0.0716 4.7674 4.2229 1.0000 0.2929 0.1965 0.0716 4.3944 0.7145 6.0492 0.0716 1.9565 1.1489 cytidine 0.6977 0.8006 2.0768 1.0811 1.6844 1.0611 0.9557 0.9671 0.9199 1.2069 0.9322 1.5344 0.8933 0.9246 1.3588 1.0874 1.1453 0.2186 1.1299 0.1268 1.0329 0.1989 1.1658 0.6535 cytidine 2' or 3'-monophosphate (2' or 3'-CMP) 0.5445 0.3790 37.0963 0.9656 23.4357 0.7653 1.0344 3.4921 0.3322 1.6657 0.5620 1.9907 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 CMP 1.3358 0.8466 1.0253 1.1854 0.8604 0.9536 1.3336 0.6410 0.8398 1.1270 1.5889 0.9747 0.6410 0.6410 0.6410 0.6410 0.6410 0.6410 0.6410 0.6410 0.6410 0.6410 0.6410 0.6410 cytosine 1.2499 5.4012 2.1808 3.1375 4.1121 4.1677 3.5182 4.2070 1.5844 5.4388 2.0087 8.9400 0.1935 0.2078 0.1539 0.3110 0.2087 0.6284 0.2302 0.3184 0.3390 0.7501 0.2105 0.3677 daidzein 0.1874 0.1214 4.0136 5.3241 0.4887 1.1230 0.9080 0.1707 0.6381 0.6951 0.3976 2.7304 1.2680 0.8627 0.9620 1.0380 0.7298 7.8650 1.1236 1.7637 1.4407 5.7489 1.7753 0.7717 daidzein 7-O-glucuronide 0.7400 0.7400 0.7400 0.7400 0.7400 0.7400 0.7400 0.7400 0.7400 0.7400 0.7400 0.7400 1.0345 0.8528 0.7400 1.1642 1.0167 0.7400 0.9833 0.9037 0.8988 0.7400 1.2289 1.0977 daidzein sulfate (1) 0.0020 0.0020 0.0020 0.0786 0.0020 0.0049 0.0020 0.0020 0.0020 0.0020 0.0030 0.0098 1.0953 0.9537 1.0000 1.2715 1.3231 0.0133 1.2155 1.1791 1.0830 0.0080 1.3422 1.1204 daidzein sulfate (2) 0.5138 0.1798 0.4146 0.1761 0.2237 1.1788 0.3792 0.2231 0.4602 0.8212 1.2426 0.4726 203.0102 179.6585 168.7180 209.4436 204.5736 0.0143 198.3592 207.6555 184.3666 0.0325 215.8137 186.5385 daidzin 0.1052 0.1052 0.1052 0.1052 0.1052 0.1052 0.1052 0.1052 0.1052 0.1287 0.1052 0.1052 1.3311 2.0004 0.9798 1.0202 0.8526 0.2563 1.8890 0.9231 1.1739 0.3922 1.0496 1.7420 decanoylcarnitine (C10) 0.1513 0.1513 0.1513 0.1513 0.1513 0.1513 0.1999 0.1513 0.1513 0.1513 0.1513 0.3415 1.0076 0.7624 1.1830 0.7962 1.1059 2.7455 1.1729 1.5036 1.0000 1.8182 0.6355 0.6115 dehydrolithocholate 0.7024 1.9091 1.0057 0.9943 2.8490 0.2237 0.3864 1.7338 0.6034 1.4471 0.7732 2.3744 0.2237 0.2237 0.2237 0.2237 0.2237 0.2237 0.2237 0.2237 0.2237 0.2237 0.2237 0.2237 delta-tocopherol 1.6096 1.3132 0.9493 1.3216 1.2162 1.1892 0.9164 1.1235 1.6922 1.1985 1.4053 1.5472 0.7390 0.7777 0.7798 0.8264 1.0218 1.0027 0.7319 0.9654 0.7659 0.9724 0.9973 0.7148 deoxycarnitine 1.7966 2.8228 13.1098 6.2051 6.2122 5.5223 12.6285 12.7135 2.0531 6.9017 3.4258 3.9271 0.1333 0.1300 0.1162 0.1310 0.1270 0.1610 0.1318 0.1529 0.2034 0.1514 0.1614 0.1225 deoxycholate 5.5103 9.6033 0.3338 0.8300 1.5326 3.0823 1.0000 1.8387 2.2937 2.4889 4.9406 1.7226 0.0003 0.0009 0.0003 0.0004 0.0003 0.0006 0.0005 0.0011 0.0003 0.0003 0.0003 0.0004 diacetylchitobiose 0.0446 0.9016 0.7539 0.6330 0.9277 1.0723 0.1874 0.0967 1.0901 0.4805 0.2310 0.1385 3.7328 3.1367 4.2866 3.5793 3.8128 0.7467 3.4035 3.9171 4.1274 0.6729 3.7991 3.9958 diacetylspermidine 1.0414 1.7799 0.7235 0.6814 1.1257 0.8103 0.3900 1.9750 0.5200 0.3900 0.9586 1.0523 0.3900 0.3900 0.3900 0.3900 0.3900 0.3900 0.3900 1.1256 0.3900 0.3900 0.3900 0.3900 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1]) 0.7493 0.1887 0.4316 0.4234 0.8272 0.7478 0.5766 0.5395 0.3751 0.4919 1.0043 1.5524 2.3794 2.2639 3.3624 2.5746 3.2939 0.8639 2.3382 3.6819 3.2985 0.9957 1.8961 1.8126 diaminopimelate 0.2025 0.8887 1.0106 0.4433 1.0599 0.5721 1.6384 1.9358 0.2220 0.9894 1.1964 0.8169 0.2025 0.2025 0.2025 0.2025 0.2025 1.4220 0.2025 0.2025 0.2025 1.4387 0.2025 0.2025 digalactosylglycerol 0.0022 0.0011 0.0011 0.0016 0.0011 0.0027 0.0011 0.0011 0.0012 0.0018 0.0011 0.0016 1.2217 1.0000 1.1112 1.1905 1.1188 0.0105 1.1045 1.2803 1.0998 0.0053 1.2528 1.0917 dihomolinoleate (20:2n6) 0.9038 3.5373 2.8543 1.3943 1.7728 1.3147 2.9452 1.8043 2.5891 2.1132 1.4962 0.9301 0.5571 0.7995 0.6736 0.6923 0.9472 1.0490 0.7351 0.5924 0.6968 1.3041 0.9510 0.9315 dihomolinolenate (20:3n3 or 3n6) 1.1119 3.2171 2.4173 2.5011 1.3635 1.6050 2.4656 1.8806 3.1728 3.4596 1.3241 0.8216 0.4271 0.5210 0.5142 0.5042 0.6346 1.0366 0.5152 0.4859 0.5220 0.9634 0.7023 0.6472 dihomo-linolenoylcarnitine (C20:3n3 or 6) 1.3958 1.0523 0.7645 2.2916 1.9399 3.2585 3.0885 2.0909 2.2397 2.2374 0.6006 3.6406 0.6667 0.5339 0.7345 0.4121 0.5756 2.0819 0.9477 1.7794 0.6570 0.7091 0.8570 0.4560 dihomo-linoleoylcarnitine (C20:2) 0.6178 0.8189 0.6178 0.6178 0.6178 1.7457 1.1767 0.6178 0.6178 0.6178 0.6178 0.8233 0.6178 0.6178 0.6178 0.6178 0.6178 2.1035 0.6178 0.7705 0.6178 1.6794 0.6178 0.6178 dihydrobiopterin 0.1121 0.1121 0.1121 5.4687 0.1121 1.0000 0.1121 0.1121 0.1121 0.2884 0.1121 1.4059 0.4922 0.4931 0.5847 1.1144 0.8759 1.8363 0.8006 1.4037 0.7021 1.1855 1.1945 1.3215 dihydrocaffeate 0.8184 0.1070 1.0000 2.2516 0.2641 5.9680 0.8580 0.1070 3.1249 0.8577 8.5950 2.3574 0.1070 0.1070 0.1070 0.1070 0.1070 1.0607 0.1070 0.1070 0.1070 0.8597 0.1070 0.1070 dihydroferulate 1.0241 1.0908 1.3473 0.9834 0.6690 1.0000 0.6853 0.2930 1.2270 0.9315 2.5293 1.1013 0.0312 0.0312 0.0312 0.0312 0.0312 0.6281 0.0312 0.0312 0.0312 1.2600 0.0312 0.0312 dihydroorotate 0.9195 0.7867 1.8505 7.3069 1.4068 1.3908 0.8237 0.9071 1.1466 1.3903 0.9830 1.8452 0.7418 0.8706 0.5936 0.5396 0.7374 12.5420 1.0564 1.4843 0.8195 28.2401 0.6478 1.0170 dimethylarginine (ADMA + SDMA) 0.5015 0.5765 2.1654 2.8836 1.6248 1.2283 0.4589 0.6783 0.3501 0.6290 0.4556 0.6871 0.9810 0.7379 0.7684 1.1120 1.0190 1.0689 0.9179 1.2277 1.2003 1.1018 1.2389 1.1221 dimethylglycine 5.1478 6.8814 0.3108 10.0795 1.0000 1.5867 0.1803 0.1803 0.1803 0.9231 0.1803 0.6615 0.1803 0.1803 0.1803 0.1803 0.1803 0.1803 0.1803 0.1803 0.1803 0.1803 0.1803 0.1803 diosmetin 2.3720 0.3425 0.5470 0.9672 0.8451 6.1553 2.2233 1.0328 1.8225 1.8934 1.4381 2.0648 0.5970 0.4245 0.4965 0.4177 0.3504 26.3594 0.3689 1.0561 1.2558 14.9845 0.8782 0.3635 docosadienoate (22:2n6) 0.3464 1.7097 1.2465 1.3155 6.3592 1.0662 1.6614 1.3505 1.6464 2.5482 1.0233 0.4412 0.6664 1.0057 0.4763 0.4461 0.6505 0.9448 0.9943 0.3630 0.8521 0.7201 0.6129 1.0554 docosadioate (C22-DC) 0.4267 0.9593 3.1601 1.6970 1.5062 0.4267 1.6641 3.0837 1.0452 1.2261 0.7789 1.1184 0.7029 1.0486 0.4267 0.4267 0.9227 1.0000 0.6599 0.5915 0.7261 1.2805 0.5698 0.8221 docosahexaenoate (DHA; 22:6n3) 0.7597 0.9654 0.9402 0.6616 0.8387 1.2957 0.8897 0.5993 1.2420 0.9050 1.1317 1.0508 0.8667 1.1364 0.7472 1.0346 1.4174 1.6053 1.1111 0.8305 0.7684 1.7734 1.2301 1.0944 docosahexaenoylcarnitine (C22:6) 0.3414 0.3414 0.3414 0.3414 0.3414 0.8859 0.5489 0.3414 0.3414 0.7831 0.3629 0.5495 1.7769 1.3047 2.4889 0.9148 1.9189 2.0250 1.5316 2.0940 1.3938 0.9324 1.0676 0.8329 docosapentaenoate (DPA; 22:5n3) 1.0728 1.7993 1.9154 1.5778 1.2390 0.8316 1.8921 1.8585 2.4014 3.0449 1.1850 0.6871 0.5244 0.7445 0.5380 0.7280 0.9697 1.0303 0.7180 0.5231 0.5037 1.0764 0.8935 0.8187 docosapentaenoate (n6 DPA; 22:5n6) 0.6705 3.3530 2.2141 0.5807 1.4319 1.5079 1.0161 1.2036 1.8017 0.9839 1.4934 0.8359 0.6140 0.9040 0.6288 0.7984 1.2754 1.2825 0.7511 0.5356 0.5738 1.3363 1.0818 0.9010 docosatrienoate (22:3n6) 0.2123 1.8127 1.2252 0.1811 0.8582 0.1811 2.3994 0.5414 1.5483 1.1776 1.0000 0.3581 0.1811 0.1811 0.1811 0.1811 0.1811 0.1811 0.1811 0.1811 0.1811 0.1811 0.1811 0.1811 dodecanedioate (C12) 0.5604 1.2846 2.0720 0.8049 1.6954 0.1961 2.2430 6.2429 0.8545 3.9149 1.1455 1.8833 0.0384 0.0384 0.0384 0.0384 0.0384 0.0690 0.0746 0.0668 0.0384 0.0384 0.0384 0.0384 dodecenedioate (C12:1-DC) 0.9030 0.7513 1.2670 1.4624 2.6444 0.8432 1.1363 1.2692 1.0402 1.1221 2.0908 1.4012 0.2710 0.3355 0.4288 0.5122 0.6852 1.0000 0.3725 0.2710 0.2710 1.5256 0.2710 0.8317 D-urobilin 0.5369 1.3377 0.4495 0.5607 0.2606 0.9787 1.0621 1.5156 1.5179 1.0213 0.8502 1.4214 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 ectoine 0.5682 0.2195 1.3118 2.0128 4.6746 2.8134 1.0895 1.3144 0.6507 0.8192 3.6192 2.9533 0.5791 0.6845 0.4194 0.7039 0.5429 1.2461 0.7721 1.0039 0.6778 1.2223 0.9961 1.1570 eicosanoylsphingosine (d20:1) 1.2573 3.0917 2.0718 2.5070 1.3271 1.2596 0.9738 0.3809 0.9914 1.0000 1.2283 1.4629 0.7948 0.4633 0.3809 0.9424 0.8090 1.7683 0.4962 0.6670 0.5746 1.7936 0.6389 1.0375 eicosapentaenoate (EPA; 20:5n3) 0.9768 0.7844 0.9986 0.9459 0.7237 1.2531 1.3233 0.6253 1.2573 1.1091 1.0248 1.4463 0.8549 1.1001 0.6831 0.9125 1.1496 1.3007 1.0014 0.7343 0.6115 1.4015 0.7957 1.0381 eicosenoate (20:1n9 or 1n11) 0.4473 1.2502 1.0984 1.2811 2.4706 0.8864 0.9650 0.9599 1.1082 1.3925 0.6974 0.4761 0.5282 1.2033 0.6092 0.6938 1.0350 1.0513 1.0354 0.4898 0.8985 1.3147 0.8568 1.3688 eicosenoylcarnitine (C20:1) 0.9606 1.4779 1.0588 1.0587 1.4035 1.6364 1.0644 1.1762 1.0000 0.9963 0.5005 0.8690 0.2115 0.2115 0.2115 0.2115 0.2115 0.5840 0.2115 0.3924 0.2115 0.2115 0.2115 0.2115 enterodiol 0.6723 0.1284 0.2028 0.2102 0.7531 1.0963 1.7608 1.2007 1.3149 1.3853 0.9037 1.1325 0.1284 0.1284 0.1284 0.1284 0.1284 0.1284 0.1284 0.1284 0.1284 0.1284 0.1284 0.1284 enterolactone 2.0707 5.1768 2.0927 1.2816 0.7675 0.3040 0.3610 2.7055 1.2301 0.7699 0.2714 0.7359 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 equol 1.3288 1.4104 0.0614 0.0614 0.7929 0.7532 1.2382 1.1174 1.1632 0.8826 0.7080 0.0614 0.0614 0.0614 0.0614 0.0614 0.0614 0.0614 0.0614 0.0614 0.0614 0.0614 0.0614 0.0614 equol sulfate 2.0967 4.0581 0.5570 0.5570 1.1611 11.0097 2.7389 0.5570 1.8695 1.6593 1.4207 2.5046 0.8034 0.8063 0.7427 0.6617 0.8361 0.5570 0.6406 0.6432 0.9720 0.5570 1.0280 0.9098 ergosterol 1.5734 1.6279 0.4120 1.2481 1.1646 1.3383 0.6930 0.6120 1.3768 1.2029 1.2375 1.0691 1.0074 0.6635 0.5734 0.9926 1.0117 0.9106 0.3344 0.6450 0.4592 1.1110 0.8190 0.8676 ergothioneine 0.1418 3.9811 0.4771 0.4321 0.9895 1.2205 0.0491 0.1029 0.0491 0.2049 1.3352 1.2399 0.9547 0.8714 1.3643 0.7570 1.1858 1.4051 1.0203 1.3847 1.2205 1.0000 1.2597 0.8660 erucate (22:1n9) 0.5940 1.0452 3.0429 0.9210 14.1265 1.2489 1.1303 0.9548 1.2843 0.8885 1.6612 0.8056 0.5511 0.7811 0.7391 0.8983 1.1018 1.3480 0.8093 0.6966 0.7211 2.4717 1.2021 1.8294 erythritol 0.4347 0.4347 0.4347 3.8032 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.7298 0.6290 0.4347 1.0000 0.8502 5.3198 0.7627 1.5480 0.8869 6.0408 1.1618 1.0589 erythronate 0.3491 0.4545 1.7164 5.7098 1.0088 0.5022 0.3559 0.4426 0.1359 0.4304 0.2822 0.9216 0.9912 1.0669 1.0222 1.3869 1.2351 0.7063 1.2699 1.6237 1.0835 0.8599 1.7157 2.0677 erythrose 1.3575 1.1650 1.0000 1.2122 1.4327 1.2138 0.9802 1.2285 0.6000 0.8948 0.4371 0.7103 0.1949 0.1949 0.1949 0.1949 0.1949 0.1949 0.1949 0.1949 0.1949 0.1949 0.1949 0.1949 ethyl glucuronide 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1914 0.1910 0.1910 0.1910 0.1910 0.9531 0.8732 1.3230 1.4748 1.2918 0.5336 1.0599 1.3560 1.0469 0.6206 1.2977 0.8325 ethylmalonate 1.7576 1.0500 0.2829 5.4848 0.5428 1.4665 1.4182 1.8856 1.2064 0.2728 0.4849 1.0000 0.1923 0.1923 0.1923 0.1923 0.1923 0.1998 0.1923 0.6242 0.1923 0.1923 0.1923 0.1923 ferulate 3.1970 1.2499 1.7984 2.5679 2.0096 1.8554 2.1725 1.1584 1.7167 2.6323 4.1336 3.3194 0.3484 0.3153 0.3225 0.3790 0.2457 0.6491 0.3467 0.3212 0.2467 0.8416 0.1846 0.3766 ferulic acid 4-sulfate 0.0086 0.0086 0.0086 0.1707 0.0086 0.0326 0.0086 0.0086 0.0086 0.0086 0.0086 0.0086 0.9375 0.9289 1.0000 1.2619 1.2270 0.0086 1.0468 1.2138 0.9667 0.0086 1.3644 1.2223 feruloylputrescine 0.0995 0.0929 0.0929 0.0929 0.0929 0.0929 0.1620 0.0929 0.0929 0.0929 0.0929 0.0929 1.1745 0.9025 0.9091 0.9440 1.0105 1.1217 1.0000 1.0442 1.3512 1.2481 1.1623 0.6141 ferulylglycine (1) 0.0621 0.0621 0.0621 0.5828 0.0621 0.1618 0.0621 0.0621 0.0621 0.0621 0.0621 0.0621 0.6456 0.5957 0.7899 2.1148 1.2835 2.5945 1.0000 1.7256 1.1614 0.7160 2.9167 2.1078 ferulylglycine (2) 0.3518 0.3518 0.3518 0.6009 0.3518 0.3518 0.3518 0.3518 0.3518 0.3518 0.3518 0.3518 0.3518 0.3602 0.5403 4.3087 1.6193 2.3565 0.9355 1.3527 1.0000 0.6835 3.7752 5.0589 formiminoglutamate 1.6234 11.5041 19.4745 5.3349 15.7405 4.2729 6.1630 7.6971 2.0414 6.4181 2.6817 5.7232 0.2529 0.1880 0.1155 0.1982 0.1161 0.2331 0.1933 0.3766 0.2015 0.2250 0.1302 0.1895 formononetin 0.4505 0.1250 0.1628 0.4414 0.2661 1.0438 0.4253 0.2282 0.2977 0.5202 0.6671 0.8714 1.7257 1.4422 1.5381 1.2703 0.9562 4.2302 1.2086 3.4513 2.0927 4.6573 2.5055 3.8688 fructose 0.2459 0.6211 2.5456 0.8171 2.2248 0.1734 0.3733 0.9080 0.2472 0.2539 0.2844 0.2086 1.2596 1.0920 1.2593 1.3448 1.2695 0.7083 1.4344 1.9821 1.3459 0.7078 1.6889 1.3750 fucitol 0.1333 0.1333 0.5389 0.5940 0.2841 0.1333 0.1333 0.1333 0.1333 0.1333 0.1333 0.1333 0.9446 0.9252 0.9298 0.9999 1.0001 2.1315 1.0518 1.2056 1.0369 1.9514 1.2696 1.0823 fucose 1.8037 0.9075 0.6691 4.6255 1.0929 1.0530 0.4262 0.4262 0.4262 0.8935 0.4262 1.0810 1.0848 0.8660 0.8398 0.8420 0.8270 1.2785 1.0000 1.4107 1.0522 1.0778 0.9661 0.9011 fumarate 14.4479 8.1486 0.6432 0.9088 1.3628 2.3129 1.5244 0.9134 1.0000 1.5788 1.4426 1.2962 0.0814 0.0814 0.0814 0.0814 0.0814 0.1091 0.1044 0.1075 0.0814 0.1603 0.0814 0.0814 galactinol 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0016 0.0060 0.0016 0.0016 0.0016 0.0016 1.2379 0.8905 0.9863 1.1040 1.0074 0.0016 0.9668 1.1791 1.1905 0.0016 1.3803 0.9926 galactonate 0.0014 0.0014 0.0166 0.0881 0.0035 0.0059 0.0049 0.0014 0.0014 0.0028 0.0014 0.0073 1.0945 1.2818 1.0423 0.9951 1.0049 1.2254 1.0906 1.1825 0.9609 1.2549 1.0522 1.3662 galactosylglycerol 0.0046 0.0046 0.0046 0.0046 0.0058 0.0046 0.0046 0.0046 0.0046 0.0046 0.0089 0.0073 1.0984 0.9609 0.9275 1.0251 0.9749 0.0046 1.0295 1.2476 1.1061 0.0046 1.3078 1.1285 gamma-glutamyl-alpha-lysine 0.2098 0.6078 2.6915 1.2269 1.4878 0.5936 0.6128 0.4927 0.3231 0.8575 0.5621 0.5821 1.3608 1.0882 0.9118 0.8446 1.4531 2.6148 1.8730 0.8769 1.5747 1.2248 2.4662 2.4631 gamma-glutamyl-epsilon-lysine 0.0344 0.0343 0.3100 0.0987 0.1359 0.0501 0.0705 0.1003 0.0345 0.1168 0.0321 0.0681 1.9739 1.9377 1.6900 2.6973 2.5594 3.2394 2.0773 1.9945 2.0713 2.8882 2.8635 2.5945 gamma-glutamylglutamine 0.0002 0.2190 0.6412 0.2943 0.4203 0.3104 0.2348 0.2681 0.1982 0.3040 0.2248 0.2262 2.0432 2.2937 1.3588 1.9369 1.7954 2.8836 2.8289 1.7114 3.4234 2.6695 3.5429 4.8306 gamma-glutamylglycine 0.0454 0.0454 0.0454 0.0454 0.0454 0.0454 0.0454 0.0454 0.0454 0.0454 0.0454 0.0454 0.9951 0.8590 0.9139 1.2015 1.0000 1.3217 0.9047 0.9748 1.0179 1.0230 1.0293 1.1285 gamma-glutamylhistidine 0.0602 0.0602 0.2166 0.1109 0.0602 0.0602 0.0602 0.0602 0.0602 0.0602 0.0602 0.0602 0.8762 1.0690 0.6559 0.9865 0.8824 2.3789 1.0000 1.1083 1.3644 1.8242 1.7802 1.4896 gamma-glutamylisoleucine 0.3927 0.4099 1.2125 0.3813 0.9132 0.3683 0.3674 0.1190 0.1292 0.5268 0.1849 0.3924 1.1757 1.0868 0.8846 1.3170 1.1675 1.8662 1.1608 1.2185 1.7128 1.4455 1.6572 1.4566 gamma-glutamylleucine 0.4216 0.3797 2.8058 1.6158 1.8321 0.7882 1.0285 0.3178 0.4548 1.3245 0.7934 0.5933 0.8671 1.0356 0.7271 0.7657 0.6142 1.4346 1.1474 0.9715 1.0824 1.8396 1.3612 1.3525 gamma-glutamylmethionine 0.1028 0.1954 1.2742 0.4316 0.7586 0.1802 0.1720 0.1028 0.1028 0.2981 0.1251 0.2359 1.0448 1.0983 0.9143 1.3020 0.9552 1.8423 1.4250 1.2691 1.1038 1.9474 1.4165 1.8645 gamma-glutamylphenylalanine 0.1918 0.3562 1.8844 0.7198 0.9292 0.3342 0.5458 0.2551 0.1715 0.4716 0.1774 0.2362 1.1566 1.0708 0.8044 1.2279 1.0846 2.2086 1.3900 1.2728 1.5576 2.1912 2.3306 2.1583 gamma-glutamylthreonine 0.0539 0.0987 0.2698 0.0809 0.1677 0.0555 0.0539 0.0539 0.0539 0.0914 0.0539 0.0764 1.3773 1.0416 0.9278 1.6455 1.7677 1.5821 1.2303 1.3384 1.5671 0.9584 1.5996 1.5565 gamma-glutamyltryptophan 0.4268 0.4268 0.4268 0.4268 0.4268 0.4268 0.4268 0.4268 0.4268 0.4268 0.4268 0.4268 0.6939 1.1723 0.7081 0.5674 0.5966 1.2262 1.1423 0.4268 1.0472 1.7628 0.9528 1.2923 gamma-glutamyltyrosine 0.3226 0.6723 1.4673 0.7435 1.0000 0.4682 0.4797 0.4436 0.1762 0.6444 0.1762 0.4440 1.1815 1.1658 0.5026 1.2823 0.8000 1.7214 1.4013 1.1992 1.6103 1.4495 1.7407 2.0833 gamma-tocopherol/beta-tocopherol 1.2302 1.3384 0.6153 1.1313 1.2221 1.1524 0.7697 0.8583 1.2984 1.0863 1.6150 1.4541 0.9030 0.9296 0.7808 0.9869 1.1067 1.0148 0.8089 1.0061 0.8758 0.9939 0.9616 0.7981 gamma-tocotrienol 1.4630 1.2396 1.0702 1.1487 1.0700 0.9014 0.8572 0.9508 1.4620 1.0050 1.2662 1.3951 0.6066 0.8007 0.5789 0.7940 1.0024 1.0777 0.7384 1.0214 0.7502 0.9976 0.8450 0.6610 genistein 0.3574 0.1064 0.1682 0.5973 0.5634 1.4247 1.0327 0.0810 0.5224 0.7892 0.4653 0.8997 1.5834 1.0447 1.2900 1.1558 0.9673 17.0066 1.4928 2.3344 1.8048 10.6802 2.3321 0.8683 genistein sulfate 0.8623 0.2753 0.4246 0.0537 0.3008 1.1377 0.8418 0.2704 0.6624 0.7845 1.4941 0.3242 165.4639 154.0089 150.1712 162.6309 176.7434 0.0281 170.8393 168.6035 162.6055 0.1233 186.9183 160.9535 gentisate 1.6174 0.9558 2.0973 1.1103 2.3587 0.6348 0.7760 1.2722 0.5381 1.0219 1.7464 0.9781 0.0337 0.0337 0.0337 0.0337 0.0337 0.0337 0.0337 0.0337 0.0337 0.0497 0.0337 0.0337 gluconate 0.0016 0.0016 0.0296 0.0078 0.0233 0.0016 0.0016 0.0054 0.0016 0.0016 0.0016 0.0027 1.3164 1.2599 1.0720 0.9759 1.0324 0.0945 1.3325 1.3769 1.0241 0.1043 1.2124 1.3548 glucose 0.8052 1.3717 3.5936 2.0564 2.9313 1.4338 1.4410 2.6991 0.9828 1.5652 1.4995 1.5824 0.9519 0.3847 0.6779 0.6289 1.7220 0.4965 1.0172 0.9350 0.9108 0.5036 0.4945 0.5499 glucuronate 0.1639 0.3336 0.5053 4.9745 0.7658 0.4554 0.2850 0.9979 0.1348 0.2615 0.2383 1.0021 8.9834 8.4812 12.8055 10.9500 11.6476 0.4952 11.3229 11.8002 10.6323 0.4053 10.5528 8.9807 glutamate 0.2867 1.1537 3.3997 1.4050 2.3054 0.5728 1.5276 2.1256 0.5143 1.7525 0.5199 1.1031 0.7702 0.7431 0.5866 0.7157 0.5664 1.1214 0.8439 1.0174 1.0566 1.1659 0.9826 0.7697 glutamate, gamma-methyl ester 0.2168 0.7884 2.1748 0.9266 1.8870 0.6432 0.9299 2.4315 0.3759 0.8660 0.6538 1.0451 0.9549 1.1911 1.3003 1.1058 1.3259 1.6986 1.4292 0.8309 0.4487 1.2283 0.4684 1.2008 glutamine 0.2361 0.1581 1.2820 1.0620 1.1936 0.8927 0.9380 0.4486 0.6949 1.2809 0.7152 0.5216 1.1345 1.2901 0.8113 0.9004 0.7006 0.8366 1.7683 1.1624 1.6501 1.2227 1.7272 1.3277 glutaminylleucine 0.3404 0.3404 20.7331 5.7745 8.1149 0.6583 3.9433 2.3784 1.2748 3.2399 2.7237 3.3815 0.6185 0.9160 0.3531 0.3404 0.4409 0.3404 1.2325 0.5398 0.5807 1.0000 0.9274 0.5267 glutarate (C5-DC) 2.5562 2.7674 3.5304 2.3302 3.9919 0.9133 1.0867 11.1880 0.4903 0.7846 0.4446 1.4317 0.0337 0.0337 0.0337 0.0337 0.1518 0.0337 0.0337 0.0337 0.0337 0.0555 0.0337 0.1746 glutaroylcarnitine (C5) 0.4476 0.4476 0.4476 1.7354 0.4476 0.8394 1.0317 0.4476 0.4476 0.4476 0.4476 0.9837 0.4476 0.8019 1.2659 1.0163 1.1965 1.3822 0.6935 0.8644 0.6046 1.2650 0.7941 1.2923 glycerate 0.8056 0.9770 3.4374 2.0171 4.3207 1.3148 1.2599 1.7475 0.9329 1.2141 1.2573 2.2625 0.7222 0.5869 0.5290 1.0048 0.6136 0.8013 1.1942 0.5878 0.6069 1.3469 0.9295 0.9952 glycerol 0.6411 0.6037 0.9801 0.8471 1.3424 0.7738 0.8361 0.5960 0.4974 0.8587 1.6673 1.4075 1.0843 1.5014 1.2879 1.4611 1.4733 1.2583 1.1903 0.6938 0.6102 1.0199 0.5612 1.6055 glycerol 3-phosphate 1.3311 2.0009 7.6858 2.6324 5.5915 2.3049 7.3927 11.2886 1.9200 6.7875 2.1518 7.6391 0.2958 0.4575 0.3482 0.2801 0.2781 0.6689 0.2604 0.3453 0.2704 0.6482 0.4404 0.3925 glycerophosphoethanolamine 1.2093 1.3137 2.3919 2.0768 1.6727 3.4470 2.1755 0.6836 1.5508 1.6642 1.8400 1.6335 0.5826 0.4506 0.4404 0.4682 0.4629 0.9841 0.3992 0.5401 0.6512 1.0159 0.7602 0.5742 glycerophosphoglycerol 0.7494 0.7006 6.4785 1.9436 3.0124 2.1420 1.7474 0.5840 0.8933 1.9393 3.6478 2.5752 0.6707 0.9378 0.9120 0.7225 0.7365 1.1480 0.9179 1.0115 0.9429 1.0677 1.0315 0.9885 glycerophosphoinositol 0.4879 0.1611 0.5702 0.4993 0.5980 0.3686 0.6130 0.6504 0.2281 0.5156 0.8501 1.3162 1.0436 1.0246 1.1198 0.9984 1.0867 1.0645 1.0016 1.0711 1.1136 1.0449 1.0637 1.1457 glycerophosphorylcholine (GPC) 0.3168 0.2717 1.5884 2.0099 1.7863 4.2999 2.9495 0.5457 1.0175 1.0645 2.1378 1.0026 0.8733 0.9974 1.0312 0.7954 0.8926 1.0484 0.7819 0.8516 0.7762 0.8979 1.0794 0.8260 glycerophosphoserine 0.1475 0.0510 0.2422 0.4524 0.3649 0.4276 0.2815 0.0510 0.2192 0.2958 0.2423 0.4877 2.1012 1.7664 2.3801 1.7899 2.1204 1.0000 2.1281 2.6065 2.2452 1.3597 1.9673 1.8758 glycine 0.3998 0.5529 2.3388 1.3490 1.5522 1.1056 0.9090 0.6382 0.7354 1.4338 0.8013 0.9528 0.9731 1.3995 0.9300 0.7769 0.6635 1.2688 1.4329 1.0269 1.0839 1.6838 0.7530 1.4288 glycitein 1.7890 0.1760 0.1480 2.2757 0.1537 2.6558 1.0567 0.2773 0.5621 0.7609 0.5694 0.8497 1.3245 0.6022 0.9837 1.2698 0.7639 6.4317 1.1058 3.3322 1.0163 4.0848 1.7702 0.6183 glyco-beta-muricholate 0.4266 0.7172 0.4266 0.4266 1.7062 1.9555 0.4266 0.4266 0.4266 0.4266 2.2941 0.4266 0.6748 0.6585 1.4134 1.1566 0.5857 1.7983 1.4520 0.6695 0.8472 1.5573 1.0000 0.9410 glycocholate 0.9775 0.5355 0.5355 0.5355 0.5819 1.3440 0.7326 0.5355 0.5355 0.6915 1.5525 1.0225 0.5355 0.5355 0.5355 0.5355 0.5355 1.5571 0.5355 0.5355 0.5355 1.1746 0.5355 0.5355 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 0.3708 1.6010 0.3708 0.3708 0.4168 1.2565 2.1354 1.0651 1.4402 2.8816 2.3544 0.9242 1.0351 0.6207 0.8774 0.8798 0.7184 0.9649 0.4675 1.1572 0.8563 0.9140 1.4377 1.0872 glycylisoleucine 0.3311 0.1905 3.6097 3.4732 2.9061 1.3081 1.3953 0.3576 0.8051 1.9518 0.8588 1.1230 0.8704 0.9973 0.7264 0.7827 0.6545 1.2788 1.3573 1.0027 0.8408 1.5169 0.6438 1.0053 glycylleucine 0.9021 0.4416 8.7182 6.8989 6.4738 3.3378 3.0240 0.5516 2.0560 4.1050 2.2965 1.9578 0.9234 0.9662 0.6192 0.7621 0.6389 0.9951 1.3969 0.8727 1.0049 1.1510 0.8239 0.8953 glycylvaline 0.5212 0.2601 3.0041 2.3440 2.5140 1.2374 1.5853 0.3466 0.8495 1.7638 0.7471 1.0234 0.8625 0.8860 0.5813 0.7328 0.6729 1.1269 1.1901 1.2668 1.1074 1.4344 0.9556 0.9766 guanidinoacetate 1.0240 1.4486 0.3615 144.5090 0.6010 19.9824 0.8984 0.4812 0.5924 0.5551 0.5978 26.4871 0.9439 1.0520 1.1679 0.8156 0.8780 4.1712 1.6531 10.6627 0.7007 2.4173 0.9760 4.8918 guanine 1.2080 1.4146 2.6415 1.7708 2.2677 1.2653 1.7287 2.0382 1.2127 1.5718 0.8177 1.2778 0.7744 0.9911 1.0089 0.8511 0.8726 0.2500 0.8765 0.4255 0.5872 0.4433 0.4630 0.6768 guanosine 0.4446 0.1921 2.4926 1.6560 1.8846 0.7494 0.4764 0.6780 0.5567 1.2022 0.7376 0.4313 1.1654 1.0384 1.5921 1.3650 1.4092 0.0917 1.4628 0.1428 1.2255 0.0918 1.2692 0.9616 guanosine-2',3'-cyclic monophosphate 0.1597 0.1597 38.4123 12.5539 19.9450 0.9350 0.1597 1.6614 0.1935 1.0000 0.1597 0.9205 0.1597 0.1597 0.1597 0.1597 0.1597 0.1597 0.1597 0.1597 0.1597 0.1597 0.1597 0.1597 gulonate 0.0061 0.0061 0.0061 0.8151 0.0061 0.0131 0.0061 0.0061 0.0061 0.0061 0.0061 0.0414 0.8907 0.8555 1.0441 1.0766 1.1536 1.3689 0.9892 1.1874 0.9009 1.0108 1.2036 1.5141 heneicosapentaenoate (21:5n3) 0.8765 1.0654 1.2853 1.0266 0.7626 0.8329 1.4485 0.8326 1.4690 1.3777 0.9862 1.0577 0.7629 1.1060 0.6357 0.8866 1.1867 1.1144 0.9718 0.6606 0.5526 1.2819 0.8428 1.0138 heptadecasphingosine (d17:1) 0.4740 1.4667 1.1328 2.2088 0.7843 1.3202 0.4740 1.6253 1.4915 1.6197 0.8990 2.2257 0.8063 0.5570 0.4740 0.9164 0.9545 2.1767 0.6453 0.9843 1.1480 0.4740 0.9522 1.0000 heptanoate (7:0) 1.0603 1.6623 0.8076 2.7809 1.3938 0.2529 0.2529 0.2647 0.2529 0.8409 1.0805 0.2529 1.1017 0.7755 1.0674 1.2064 1.1656 0.9151 0.7281 0.2529 0.2529 0.9385 0.2529 0.9397 hexadecadienoate (16:2n6) 1.1929 1.3736 1.4204 1.2541 0.7205 0.8971 1.6429 0.8408 1.3374 1.4238 1.0402 1.5163 0.8358 1.0676 0.6556 0.9253 0.9879 1.0121 0.9471 0.7074 0.5417 1.0776 0.5659 0.9723 hexadecanedioate (C16) 1.7191 7.4987 4.0844 3.3654 8.0706 1.6852 3.1497 8.2796 2.2254 3.6174 1.1412 2.4736 0.7681 0.7439 0.6390 0.5833 0.5957 0.7278 0.7118 0.6655 0.8131 0.7946 0.8173 0.8588 hexadecasphinganine (d16:0) 0.6995 1.2984 1.7901 1.5443 1.5447 0.3565 0.3515 3.3929 0.3578 0.3880 0.3515 1.0000 0.3515 0.3515 0.3515 0.3515 0.3515 0.3515 0.3515 0.3515 0.3515 0.3515 0.3515 0.3515 hexadecasphingosine (d16:1) 0.3657 1.1365 0.3657 1.3464 0.3657 0.3657 0.9085 1.3030 1.1689 0.9523 0.3657 1.7674 0.3657 0.6499 0.3657 1.1912 1.0059 1.6805 0.8061 0.3657 0.6954 1.0000 0.4316 0.7408 hexadecatrienoate (16:3n3) 1.8003 1.4074 1.6757 1.6055 0.7755 0.8591 2.1048 1.0815 1.5779 1.8707 1.1057 1.7718 0.7489 0.9548 0.6531 0.8814 1.0412 0.9296 0.8420 0.5968 0.3995 0.9873 0.3636 1.0127 hexadecenedioate (C16:1-DC) 1.4156 4.1834 1.5269 1.8462 4.4184 0.8489 1.0000 2.9598 1.3680 1.4898 0.9822 0.8865 0.1365 0.1408 0.1365 0.1365 0.1365 0.2343 0.2068 0.1365 0.1365 0.1524 0.1365 0.1365 hexanoylcarnitine (C6) 0.2528 0.2528 0.2528 0.2528 0.2528 0.2528 0.2528 0.2528 0.2528 0.2528 0.2528 0.2528 1.1199 0.9123 1.3648 0.9463 1.3608 1.3863 1.0000 1.5288 0.7423 1.1678 0.8339 0.6980 hexanoylglycine (C6) 0.0352 0.1763 0.0352 60.1872 0.0352 2.9612 0.0352 0.0352 0.0352 0.0352 0.0352 2.6265 0.0352 0.0352 0.0642 0.0352 0.0714 1.7622 0.0477 3.3500 0.0352 0.0352 0.2378 1.8236 hippurate 1.0000 1.3010 0.1702 67.4654 0.2528 116.6260 0.1702 0.1752 0.1702 0.1702 0.1702 276.1442 0.1702 0.1702 0.1702 0.4278 0.1702 1.9842 0.3592 1.4237 0.1702 0.1702 0.1702 0.8174 histamine 0.2553 0.1784 1.1369 0.7344 8.4374 4.9618 7.3632 0.3878 3.2852 6.1053 12.5044 9.3610 0.5408 0.7220 0.3577 0.5413 0.5976 2.1367 1.0204 0.9796 0.4897 4.4765 1.0391 0.3979 histidine 0.4028 0.2806 1.5913 1.8727 0.9776 1.2363 0.8266 0.4830 0.7941 1.3882 0.9370 0.8078 0.9407 1.1495 0.8662 0.7568 0.5390 1.2130 1.3535 1.0768 1.5427 1.4836 1.3864 1.0224 histidine betaine (hercynine) 0.8324 0.8324 0.8324 0.8324 0.8324 0.8324 0.8324 0.8324 0.8324 0.8324 0.8324 0.8324 1.1223 0.8633 0.8324 1.0233 0.9521 0.9872 0.9838 1.0128 0.9151 1.0735 1.2106 1.0128 histidylalanine 0.1520 0.1520 5.6402 2.7168 3.3818 0.9557 0.9520 0.3218 0.6581 1.0953 0.5524 0.1520 1.0587 1.6041 0.8034 0.8262 0.6909 0.8967 2.1125 1.1684 1.2037 1.3107 0.8879 1.0443 homocitrulline 1.2593 1.3262 2.8689 1.1091 1.7408 1.0911 0.9294 1.1384 0.8302 0.9540 1.0650 1.2979 0.5443 0.6890 0.5096 0.6042 0.4483 0.9587 0.7111 0.7368 1.0413 1.0473 1.3305 0.5053 homostachydrine 0.9035 0.5854 1.0330 19.3184 0.4343 2.0662 2.4302 2.9176 1.0141 0.9546 2.1447 4.2522 0.7369 0.8037 0.7933 0.8368 0.6584 0.8449 1.2670 1.5052 0.9983 1.0017 0.8015 1.0403 hydroxymethylpyrimidine 4.1809 3.4812 4.1536 14.9980 1.6583 2.5570 1.6721 2.3356 1.3443 1.1597 1.9430 3.1793 0.2952 0.5353 0.1741 0.2676 0.2363 0.5953 0.5736 0.8403 0.6081 0.4783 0.6197 0.4987 hyocholate 3.6148 2.6733 1.0279 0.6664 0.9721 0.8925 0.1326 2.3855 0.8938 2.5095 1.2505 0.4634 0.1326 0.1326 0.1326 0.1326 0.1326 0.1326 0.1326 0.1326 0.1326 0.1326 0.1326 0.1326 hypotaurine 1.0927 4.4844 0.3603 34.6613 0.8023 1.0863 1.0000 0.3603 0.3603 0.3603 1.2470 2.4820 0.4156 0.3603 0.3603 0.5812 0.7079 1.3903 0.5407 0.6848 0.3603 2.5645 0.3603 0.7914 hypoxanthine 1.5926 5.7138 6.9839 3.8725 6.4848 2.0372 4.0979 6.4158 1.5245 3.7711 1.2975 3.2517 0.6871 0.5493 0.6450 0.4156 0.5188 0.3993 0.5629 0.2823 0.7025 0.3403 0.5280 0.4364 imidazole lactate 0.6744 3.8247 1.5218 20.2203 2.9639 7.1066 0.3617 0.8282 0.1765 0.8588 2.3571 4.0069 0.5996 0.5970 0.5334 1.1412 0.7119 2.8248 0.7020 0.8415 0.6020 2.4205 1.1897 1.5802 imidazole propionate 0.7224 16.5141 51.4068 23.3061 50.3070 42.0984 1.2550 4.2230 0.5719 1.2129 38.5367 12.5926 0.5422 0.7821 0.5513 0.7000 0.5692 0.9810 0.9532 1.0190 0.3538 1.0372 0.5516 0.7414 indole 1.0993 1.0171 1.3682 1.5004 1.0792 0.2943 1.3906 0.2549 0.8788 0.9829 0.7903 0.4806 0.2549 0.2549 0.2549 0.2549 0.2549 0.2549 0.2549 0.2549 0.2549 0.2549 0.2549 0.2549 indole-3-carboxylate 1.0000 1.1112 5.5838 8.0228 6.1322 4.3093 6.0098 8.7076 4.8956 8.8732 5.0025 7.6731 0.0870 0.1320 0.1536 0.1603 0.0870 0.2823 0.1584 0.2061 0.1406 0.2976 0.2324 0.2046 indoleacetate 10.0506 5.1783 6.0146 6.1892 5.8274 3.3030 1.3053 4.4756 0.8285 1.2504 4.4838 2.5995 0.7685 0.7939 0.6769 0.6596 0.6601 0.9041 0.7875 0.6604 0.6838 1.0959 0.7245 0.5759 indoleacetylglycine 0.1899 0.1899 0.1899 308.1329 0.1899 20.3133 0.1899 0.1899 0.1899 0.1899 0.1899 10.4878 0.1899 0.1899 0.1899 0.1899 0.1899 0.6348 0.1899 1.0000 0.1899 0.1899 0.1899 0.7723 indolelactate 2.1484 0.5929 0.5137 22.6511 1.1046 25.5545 1.2136 0.9927 1.3330 1.8821 5.7634 13.2742 0.3317 0.4046 0.2641 0.3304 0.4300 1.3981 0.2912 0.7203 0.2439 1.0468 0.3122 1.0073 indolepropionate 1.1410 1.9733 1.6564 0.9251 2.3602 0.4126 0.3623 1.5057 0.1975 0.3014 1.0749 0.7657 0.1975 0.1975 0.1975 0.1975 0.1975 0.1975 0.1975 0.1975 0.1975 0.1975 0.1975 0.1975 indolepropionylglycine 0.4332 0.4332 0.4332 3.9038 0.4332 0.4332 0.4332 0.4332 0.4332 0.4332 0.4332 1.0000 0.4332 0.4332 0.4332 0.4332 0.4332 0.4332 0.4332 0.4332 0.4332 0.4332 0.4332 0.4332 indolin-2-one 4.2043 10.8356 41.6985 2.3893 0.9270 0.6416 1.1587 0.9076 1.0548 0.8271 0.5711 0.9452 0.5711 0.5711 0.5711 0.5711 0.5711 0.5711 0.5711 0.5711 0.5711 0.5711 0.5711 0.5711 inosine 0.9635 0.9799 4.2322 1.4191 4.0204 1.6840 1.3163 2.4993 1.3533 2.3983 1.7175 1.3885 0.7571 0.7205 1.2828 0.8397 0.9894 0.2591 0.8969 0.1902 0.8812 0.3116 1.0106 0.7206 isobutyrylglycine (C4) 1.1779 1.0660 1.5544 3.4158 2.0348 1.0530 1.1874 1.8394 1.1962 1.5156 1.2867 1.6589 0.7463 0.7019 0.4510 0.9202 0.4731 0.7840 0.6651 0.5456 0.7468 0.9470 0.5165 0.7652 isohyodeoxycholate 0.8975 2.3849 0.2605 0.1624 0.6921 0.3644 0.3913 1.1197 1.1025 1.3943 1.6382 1.1477 0.1624 0.1624 0.1624 0.1624 0.1624 0.1624 0.1624 0.1624 0.1624 0.1624 0.1624 0.1624 isoleucine 0.3449 0.4250 2.4620 1.9024 2.3439 1.6035 1.5893 0.3224 1.0827 2.0398 1.0861 1.0004 0.7958 0.9996 0.7258 0.6296 0.4882 0.7838 1.2194 0.7257 1.0299 1.0508 0.6756 0.7905 isoleucylglycine 0.8770 1.2314 14.5161 7.7196 10.6274 3.5522 5.9118 3.1231 3.4345 10.9012 2.9741 4.0793 0.6882 0.6775 0.2145 0.4550 0.3070 0.5943 0.9124 0.7281 0.9953 1.0047 0.8856 0.6363 isovalerate (C5) 7.2154 14.3878 11.0031 1.8459 13.6539 0.6364 1.4670 1.7167 2.3658 6.2465 10.9664 0.8043 0.5602 0.8473 0.8795 0.9095 0.7410 0.7491 0.9782 0.5602 0.5602 1.0000 0.5602 0.7070 isovalerylcarnitine (C5) 0.4937 0.3865 0.2294 0.5102 0.2294 0.4888 0.8844 0.5588 0.6033 0.3616 0.2719 1.1618 1.7379 1.1221 1.3352 0.8539 1.3080 1.0140 1.7864 1.4284 1.2272 1.0612 1.1541 1.0000 isovalerylglycine 0.8391 1.0422 1.3017 58.2433 1.3055 3.3661 0.9487 1.1009 0.9664 1.2491 1.0336 6.7803 0.3123 0.3989 0.2417 0.5028 0.3275 1.4441 0.3416 2.3871 0.1748 0.5892 0.4080 2.0298 I-urobilinogen 0.4584 1.7705 0.2440 0.3256 0.2440 0.2889 1.0000 1.2017 1.9041 1.0257 1.9697 0.7753 0.2440 0.2440 0.2440 0.2440 0.2440 0.2440 0.2440 0.2440 0.2440 0.2440 0.2440 0.2440 kynurenate 4.3017 4.0914 0.2301 17.6554 1.0460 4.2409 3.3133 0.5832 3.9419 4.4496 8.6812 9.1286 0.2870 0.2539 0.2301 0.4058 0.3306 0.7133 0.3359 1.3312 0.4052 0.5953 0.4888 1.0000 lactate 0.4900 0.5611 0.4754 1.2920 2.7586 3.5005 0.3172 0.5278 0.4182 1.0906 4.9271 5.3019 0.3768 1.0000 0.6194 0.6776 0.7150 2.2320 1.3578 1.0547 0.4102 2.5369 0.3172 2.2935 laurylcarnitine (C12) 0.0655 0.0238 0.0441 0.1652 0.0238 0.3077 0.3327 0.0238 0.2593 0.1149 0.0970 0.2752 1.8294 1.7864 2.1740 1.2442 1.9509 2.1444 2.2018 2.1164 1.6295 1.0144 1.2595 0.9856 leucine 0.3587 0.3449 2.9677 2.0912 2.0250 1.6121 1.6098 0.3127 1.1626 1.9580 1.0918 1.0622 0.8417 0.9378 0.8180 0.7017 0.5835 0.8867 1.2438 0.7898 1.0772 1.1907 0.6845 0.7861 leucylalanine 0.3469 0.2258 8.8068 3.4838 4.9589 0.9695 1.6851 1.5292 0.9731 1.6929 0.8865 0.4644 1.0064 0.9936 0.7760 0.8237 0.8745 0.9148 1.6095 1.2619 1.5620 1.2671 1.9802 0.8837 leucylglutamine 0.5794 0.2542 9.2356 3.5432 4.2956 1.2988 2.4906 1.6330 1.6255 3.9759 1.2939 0.9496 0.7348 0.5900 0.5029 0.5916 0.5624 0.4967 1.2050 0.9323 1.0504 0.6911 1.4203 0.5150 leucylglycine 0.5844 0.5425 7.7742 4.3439 4.9820 1.2681 2.4153 1.9139 1.6020 2.4730 1.2272 1.4835 0.6096 0.5634 0.4506 0.5270 0.4576 0.5883 0.7722 0.9621 1.0379 0.7105 1.1125 0.5600 lignoceroyl ethanolamide (24:0) 2.8363 2.1618 1.4302 2.0751 1.0670 1.3255 2.6951 3.0068 3.0242 2.2890 3.0780 3.1200 0.9330 0.6313 0.4603 0.8288 0.6592 0.8528 0.4858 0.6250 0.5144 0.6431 0.7043 0.6728 linoleate (18:2n6) 0.8346 0.6640 0.9868 0.8184 0.7941 0.9638 1.2066 0.6506 1.0827 1.1677 1.0132 0.9486 0.9391 1.2631 0.9787 1.0567 1.3502 1.3441 1.1927 0.8480 0.8224 1.4470 1.0808 1.1997 linolenate (18:3n3 or 3n6) 0.8348 0.5321 0.8315 0.7713 0.8762 0.9586 1.2068 0.5550 0.9717 1.0283 1.1491 1.3526 1.0460 1.4024 0.9173 1.0892 1.4274 1.2212 1.2965 0.8628 0.7503 1.4112 0.8443 1.2005 linolenoylcarnitine (C18:3) 0.2659 0.2659 0.2659 0.3870 0.2659 0.5724 0.6710 0.2659 0.5736 0.2659 0.2659 0.2659 1.0000 0.8916 0.4662 0.9817 1.1803 1.3905 1.4122 1.8222 1.1003 2.1373 1.4258 1.1610 linolenoyl-linolenoyl-glycerol (18:3/18:3) [1] 0.6858 0.2158 0.4510 0.2158 1.0000 0.8296 0.4838 0.6333 0.4088 0.6890 0.8603 1.2686 2.9982 3.4016 4.1174 2.7706 2.2340 0.9985 3.6395 5.4308 0.9724 1.4468 3.3030 1.6838 linolenoyl-linolenoyl-glycerol (18:3/18:3) [2] 0.5274 0.1339 0.3233 0.1028 0.8585 0.6836 0.5175 0.3640 0.3463 0.3531 1.0358 1.1620 2.8082 1.3893 2.9335 1.4036 1.5466 0.6162 2.2972 2.4403 2.2326 0.9642 1.2044 1.9595 linoleoyl ethanolamide 2.0009 2.9222 1.1891 1.9502 0.7651 1.2526 1.5079 0.8109 1.5382 1.0088 1.3771 2.0162 0.6509 0.5609 0.4666 0.6640 0.5483 2.4706 0.5519 0.9912 0.7458 1.7949 0.7468 0.8153 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2] 1.4181 0.2844 0.8222 0.5750 1.0025 0.8039 0.7193 0.3543 0.6255 0.5232 0.9975 1.9655 0.9863 1.9394 1.6416 1.3762 3.7892 1.5689 1.3207 1.2245 1.9544 0.9375 0.9155 1.4722 linoleoylcarnitine (C18:2) 0.8719 0.3042 0.2095 0.8055 0.2333 1.3757 0.8663 0.2847 1.0482 0.2370 0.3043 0.6736 1.4787 0.9518 0.8936 1.4511 1.7973 2.9624 1.5514 2.3036 1.3575 3.1709 2.3565 1.8543 linoleoylcholine 0.5422 0.2217 0.7299 0.5380 0.1848 0.1959 1.0631 0.3082 0.5198 0.5276 0.1610 0.5855 1.5011 1.8674 0.9369 1.3070 1.2844 1.8493 1.7987 1.7550 1.7841 1.8886 2.6278 1.2066 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1] 0.5456 0.0906 0.3343 0.2422 0.4640 0.3444 0.3244 0.3092 0.3005 0.2605 0.5443 0.9054 1.7164 2.1694 2.3094 1.6917 2.1602 1.1855 2.3425 2.4939 1.9459 1.0946 1.5915 1.2102 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2] 0.7059 0.1638 0.5660 0.2385 0.9979 0.8306 0.5169 0.4135 0.3715 0.3839 0.9499 1.7712 1.5933 1.9893 2.5803 2.0676 2.5649 1.0021 1.8450 2.6239 1.8004 0.9170 1.3264 1.4523 linoleoyl-linolenoyl-glycerol (18:2/18:3) [1] 0.6693 0.1618 0.3532 0.3152 0.5430 0.4979 0.4009 0.4334 0.3911 0.3516 0.8131 0.9244 2.0799 2.4633 3.2719 2.2448 2.0046 1.0756 2.8322 3.7261 2.9216 1.2303 2.2596 1.5553 linoleoyl-linolenoyl-glycerol (18:2/18:3) [2] 0.4496 0.1700 0.3278 0.1704 0.7676 0.7467 0.3957 0.4472 0.2350 0.3524 1.0113 1.0419 2.2680 2.0927 3.0565 2.4520 2.0102 0.6934 2.1612 3.6464 2.9542 0.9887 1.8618 1.9268 linoleoyl-linoleoyl-glycerol (18:2/18:2) [1] 0.6826 0.1640 0.2559 0.2503 0.3881 0.4832 0.4051 0.3448 0.3490 0.3129 0.7398 0.9900 2.3135 2.4294 3.3333 2.2359 2.1524 1.0100 2.4174 3.7368 3.2113 1.1586 2.2694 1.8396 linoleoyl-linoleoyl-glycerol (18:2/18:2) [2] 0.8007 0.1513 0.2601 0.1624 0.8764 0.7597 0.3152 0.3800 0.3786 0.3867 1.0782 1.1565 2.3965 1.4898 2.7677 2.6735 3.7309 0.8623 2.6097 3.0973 3.0935 0.9218 1.8428 1.7666 lithocholate 1.0900 1.6537 0.2777 0.4359 1.1968 0.4352 0.3913 0.7779 1.1864 1.1266 1.4596 0.9100 0.2777 0.2777 0.2777 0.2777 0.2777 0.2777 0.2777 0.2777 0.2777 0.2777 0.2777 0.2777 lysine 0.5416 1.0149 3.6365 1.7256 2.5666 1.1808 1.4509 1.1417 0.8543 1.7558 0.9851 0.9754 0.9220 0.8720 0.5845 0.7530 0.5621 0.8603 1.0969 0.4745 1.6663 0.9447 1.6697 1.1398 lysylleucine 2.8997 2.5873 20.4544 6.6067 9.0060 1.0928 3.0347 5.5195 0.9805 3.6554 3.3691 4.3614 0.6224 0.8593 0.4299 0.3098 0.4341 0.5386 0.8067 0.3674 0.8260 0.6860 1.0195 0.5858 malate 4.5855 6.1173 1.3509 1.1883 2.4094 2.8870 1.2392 1.6645 0.7050 1.6259 2.2016 3.0393 0.8662 0.7607 0.5365 0.7047 0.4514 0.4545 0.9642 0.7041 0.9444 0.5148 1.0358 0.6232 maleate 0.9644 0.7170 0.7563 0.9936 0.8467 0.9020 0.7859 0.8666 1.1516 1.0064 1.4183 0.7952 0.9848 1.4176 0.8148 1.7334 1.5460 2.0299 1.2544 1.0661 1.0472 6.1547 0.9688 3.7035 malonate 0.4508 0.4459 0.7839 0.9189 0.7863 0.7454 0.6361 0.7639 0.3119 0.4999 0.4143 0.5431 1.7538 1.8765 1.0811 2.7561 1.8327 4.1003 1.9435 1.3027 1.4897 7.3925 1.5676 5.0697 malonylcarnitine 0.8168 0.2815 1.5102 4.4622 0.2815 1.6792 0.2815 0.2815 1.2375 0.2815 0.2815 1.3188 0.4450 0.2815 0.8459 0.7379 1.0698 0.9302 0.2815 0.7375 0.6780 1.4919 0.2815 1.5585 mannitol/sorbitol 0.0023 0.0114 0.0466 0.0376 0.0385 0.0073 0.0044 0.0063 0.0034 0.0056 0.0038 0.0071 2.5049 1.9534 2.1797 2.2722 2.2354 2.7496 2.2251 2.5768 2.3019 3.3890 2.6386 2.4688 mannose 0.4934 1.2275 8.7761 2.0160 6.1765 0.5994 0.7400 3.0742 0.5531 0.6929 0.7310 0.9960 1.3775 0.9411 1.5903 1.0040 0.9757 0.1918 1.2881 2.4649 2.3686 0.3125 2.1099 0.7840 margarate (17:0) 0.5851 1.2623 1.1249 0.7372 0.9417 1.1749 1.0515 1.4601 0.9885 1.0327 0.8056 0.5596 0.7120 1.0420 0.8929 0.8247 1.0115 1.1109 0.9307 0.7119 0.9268 1.3736 1.0649 1.0796 margaroyl ethanolamide 1.5351 2.6196 1.1183 1.0264 0.9736 0.9166 1.5063 2.8181 2.4546 3.0647 2.0874 7.3171 0.7112 0.6630 0.4852 0.9460 0.4315 1.3243 0.2286 0.7547 0.6193 1.2340 0.4643 0.6566 margaroylcarnitine (C17) 0.6365 0.7464 0.4704 0.8780 1.0862 2.2327 0.7879 0.4704 0.7593 0.4704 0.4704 1.7457 1.2126 1.6767 1.6516 0.8977 1.0034 1.0000 1.7844 1.9697 1.1774 0.7697 0.7073 0.7923 mead acid (20:3n9) 3.3323 36.2662 6.1118 1.3807 2.3702 2.1263 3.9469 4.7275 6.2871 2.9003 3.7622 4.8251 0.2194 0.3292 0.3042 0.2720 0.3297 0.5519 0.2120 0.3046 0.4026 0.6193 0.4083 0.3914 methionine 0.7391 0.8675 5.7345 3.5847 4.2664 1.7445 1.9024 0.9949 1.5177 2.8983 1.3237 1.5572 0.7483 0.8827 0.7102 0.6964 0.6133 1.0051 1.0560 0.8299 0.9886 1.0217 0.8016 0.7973 methionine sulfone 1.2852 0.3579 2.6252 0.7145 1.6704 2.2865 0.7315 0.3579 2.3361 1.7478 1.7642 1.0277 0.3579 0.3579 0.3579 0.3579 0.3579 0.3579 0.5997 0.3579 0.9373 0.9723 0.8088 0.5323 methionine sulfoxide 0.5907 0.5893 2.4455 1.9273 2.7249 1.7780 1.5936 0.8026 1.1303 1.9224 1.1028 1.0577 0.9121 0.9846 0.6123 0.6678 0.4556 0.7350 1.1383 0.7437 1.2133 1.0154 0.9400 0.9306 methylmalonate (MMA) 5.4007 2.6864 0.7808 3.6395 0.7048 1.6328 2.4807 2.6859 3.2654 0.6510 1.0575 1.1574 0.8394 0.6825 0.8099 0.8937 0.7984 0.9667 0.9415 1.7717 0.3893 1.0333 0.9051 1.1836 methylphosphate 0.1997 0.1997 0.6995 1.4613 0.7462 0.3226 0.3255 0.7415 0.2084 0.5440 0.3625 0.7806 1.5739 2.1591 3.3473 1.0614 2.1226 3.8483 2.2858 1.6022 1.0000 2.5985 0.7039 1.4782 methylsuccinate 1.5278 3.5661 2.2997 3.6669 3.0380 1.0004 2.7628 4.1942 0.9996 1.7058 0.9519 2.5520 0.0492 0.0765 0.0492 0.0501 0.0492 0.0645 0.0572 0.0980 0.0492 0.0737 0.0492 0.1110 mevalonate 1.2037 0.7028 1.8124 0.9932 1.5082 1.3017 0.9809 1.6124 0.5149 1.0068 1.1987 1.4251 0.0297 0.0297 0.0297 0.0297 0.0297 0.0978 0.0297 0.2547 0.0297 0.1461 0.0297 0.0297 myo-inositol 0.3678 0.2674 0.1266 0.4439 0.2103 0.6250 0.1323 0.1624 0.2208 0.1306 0.1320 0.4982 1.7816 1.5980 2.7557 1.4091 2.0749 5.3642 2.1841 3.0915 3.5787 4.8610 2.9930 1.3750 myristate (14:0) 0.8137 1.0948 1.5171 0.9487 1.0325 0.9938 1.5015 1.3902 1.2249 1.3044 1.0118 1.2323 0.7438 1.0815 0.7838 0.8369 1.0062 0.9738 0.9627 0.6948 0.8101 1.2065 0.9327 0.9859 myristoleate (14:1n5) 1.4835 1.8383 1.8288 1.3712 1.0510 1.1818 1.1872 2.6119 1.4592 1.1858 0.9378 1.6836 0.6835 0.7241 0.8172 0.6500 0.9570 0.7619 1.0326 0.6007 0.4954 0.7696 0.6204 0.9674 myristoleoylcarnitine (C14:1) 0.1011 0.0239 0.0488 0.1898 0.0239 0.3867 0.3561 0.0239 0.2570 0.1504 0.0862 0.2453 2.0080 1.7046 2.7443 1.2786 2.0908 2.0285 2.5039 2.2028 1.7370 0.9139 1.3527 1.0861 myristoylcarnitine (C14) 0.2242 0.0608 0.0608 0.3254 0.0608 0.5575 0.3835 0.0834 0.5370 0.0608 0.0757 0.3003 1.8413 1.8212 1.7935 1.0783 1.8151 1.8781 1.9736 1.8331 1.7257 0.9342 1.5579 1.0000 myristoyl-linoleoyl-glycerol (14:0/18:2) [2] 0.5407 0.3578 0.3578 0.3578 0.3578 0.3578 0.3578 0.3695 0.3578 0.3578 0.5953 0.9373 1.0337 1.3276 2.0132 1.6159 1.9319 0.5157 1.3139 2.0713 1.5508 0.5255 0.9663 0.3578 N-(2-furoyl)glycine 0.3141 0.3141 0.3141 11.5632 0.3141 2.1746 0.3141 0.3141 0.3141 0.3141 0.3141 1.3771 0.3141 0.3141 0.3141 0.3141 0.3141 0.6229 0.3141 0.5443 0.3141 0.3141 0.3141 0.3141 N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) 2.9980 6.0650 3.1033 2.9077 2.6502 1.7012 4.7954 3.3723 5.7181 6.4652 3.1343 4.6250 0.1797 0.1489 0.1768 0.1903 0.2022 0.2988 0.1619 0.2403 0.1746 0.2490 0.2468 0.2347 N,N,N-trimethyl-5-aminovalerate 2.0531 1.4074 3.2029 1.1683 2.4564 1.5630 0.5417 0.8317 0.3979 0.2301 0.2571 0.3570 0.2301 0.2301 0.2301 0.2301 0.2301 0.2301 0.2301 0.2301 0.2301 0.2301 0.2301 0.2301 N1,N12-diacetylspermine 2.1036 4.4828 0.2026 0.2746 1.1315 0.5649 0.2026 4.2391 0.8685 0.2026 0.2605 0.7683 0.2026 0.2026 0.2026 0.2026 0.2026 1.9717 0.2026 0.2026 0.2026 1.5929 0.2026 0.2026 N1-Methyl-2-pyridone-5-carboxamide 0.5242 0.2009 0.0296 10.4711 0.0677 1.9687 0.0843 0.0296 0.2535 0.1617 0.2119 2.3983 1.2302 0.9433 1.0000 1.1946 1.1647 1.0574 0.8636 2.3857 1.4103 0.7226 1.1767 1.1894 N1-Methyl-4-pyridone-3-carboxamide 0.7096 0.2452 0.3573 20.4981 0.8354 2.9300 0.5241 0.2895 0.5902 0.7118 0.8244 5.0016 1.6334 0.8928 0.9921 1.5765 1.3718 1.7287 0.8349 3.4203 2.3204 1.0079 1.5102 1.6622 1-methyladenosine 0.0660 0.0660 0.3961 2.0088 0.2069 0.5235 0.0734 0.1417 0.0660 0.2362 0.0660 0.2071 1.5282 1.3373 1.7505 0.9787 1.0550 0.0660 1.8230 1.7385 1.2497 0.1574 1.3733 1.0213 1-methylguanosine 0.2345 0.2664 0.5909 1.4091 0.4569 0.5581 0.1994 0.2441 0.2648 0.2792 0.2459 0.3809 5.9654 5.6535 6.5027 6.2356 7.4025 0.1994 5.8919 5.7922 5.5104 0.1994 7.5084 6.1843 N1-methylinosine 0.0126 0.0126 0.0126 0.0953 0.0148 0.0341 0.0126 0.0126 0.0126 0.0126 0.0126 0.0126 1.0000 0.8749 1.1226 1.1726 1.2031 0.0181 1.0642 0.9858 1.1859 0.0126 1.1713 1.1423 N2,N2-dimethylguanosine 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 1.1443 1.0000 0.9180 1.0700 1.0551 0.3023 1.0719 1.0242 1.0376 0.4487 0.9800 0.9194 N2,N6-diacetyllysine 2.0082 2.5177 2.1934 7.1721 0.9281 1.8519 0.1547 0.3619 0.3234 0.3643 0.5300 0.8611 0.7962 0.8782 1.0874 1.2617 1.2625 1.5666 1.0048 0.7796 0.6679 1.3039 0.9952 1.6420 N2-acetyllysine 0.5674 1.9271 1.5533 2.4083 1.4031 0.9945 0.8041 1.2892 0.3697 0.9687 0.4573 0.5000 0.9082 0.9590 0.9367 1.1534 1.0673 1.5966 0.9754 0.7354 1.0055 1.5566 1.3493 1.3138 N6,N6,N6-trimethyllysine 0.1749 0.3950 3.0489 1.5396 1.5954 0.5955 0.2782 0.4583 0.1571 0.3944 0.2435 0.4408 1.1857 0.9075 0.6491 1.0925 0.8271 1.1583 1.2591 1.3986 1.7070 1.1577 1.7901 1.2050 N6,N6-dimethyladenosine 0.4121 0.4121 0.4121 0.4121 0.4121 0.4121 0.7435 0.4121 0.4121 0.4121 0.4121 0.4121 0.8646 0.6969 0.9803 1.0363 0.8417 1.0197 1.0867 1.1111 1.2274 1.1535 1.2007 0.8760 N6-acetyllysine 0.7462 3.5106 4.9162 2.0795 4.1557 0.9731 2.1154 3.9141 1.0466 3.7626 1.1893 1.8649 0.5222 0.7040 0.2013 0.4268 0.3129 0.7074 0.8574 0.7206 1.2132 0.9334 1.0269 0.7429 N6-carbamoylthreonyladenosine 0.0696 0.0696 0.1390 0.3297 0.0696 0.0696 0.0696 0.0696 0.0696 0.0696 0.0696 0.0876 0.9715 0.7882 0.9568 1.1514 1.1926 1.1878 0.9959 1.1050 1.0041 1.0068 1.0095 1.1084 N6-carboxymethyllysine 0.1977 0.3452 0.8931 0.6366 0.5278 0.1823 0.2787 0.5752 0.1176 0.3496 0.1349 0.2989 1.4657 1.2020 1.1069 1.6112 1.3213 1.5875 1.4040 1.6731 1.4245 1.4074 1.6094 1.6049 N6-formyllysine 1.5461 1.3899 1.9589 1.0192 1.7765 1.0643 1.3350 1.3079 1.3115 1.7486 1.2990 1.1316 0.7576 0.8638 0.5875 0.6601 0.5022 0.7218 0.9559 0.6494 0.8981 0.9808 0.8507 0.8367 N6-methyladenosine 0.8665 1.3745 3.7044 1.2586 2.5130 0.6603 0.6949 1.4678 0.9373 1.9477 1.0627 0.7470 0.5874 0.5874 0.5874 0.5874 0.5874 0.6533 0.5874 0.5874 0.5874 0.5874 0.5874 0.5874 N6-succinyladenosine 0.6951 0.0559 0.0559 0.0559 0.0559 0.0559 0.0559 0.0559 0.0559 0.0559 0.0559 0.1355 1.0000 0.7353 1.6446 1.4591 1.6396 0.0559 0.8440 1.6429 1.0451 0.0559 2.0173 0.7514 N-acetyl-1-methylhistidine 0.2705 0.4655 0.2705 2.5787 2.0283 1.2241 0.2705 0.8032 0.2705 0.2705 0.2705 1.8347 0.2705 0.3651 0.6083 1.0347 0.9019 0.9653 0.8453 1.1458 0.8842 1.1638 1.3173 1.3294 N-acetyl-3-methylhistidine 0.7569 1.1903 0.7569 1.7092 0.7569 3.1380 0.7569 1.0616 0.7569 0.7569 0.7569 3.0085 0.9309 0.7569 0.9046 0.8764 0.8230 0.7569 0.9617 0.9505 0.9700 1.0658 1.0300 1.2210 N-acetylalanine 0.1021 0.2005 0.4942 0.5687 0.3032 0.2487 0.3080 0.3506 0.0854 0.1368 0.0969 0.2554 1.4422 1.4313 1.4483 1.9986 1.9726 3.0368 1.6695 1.8912 1.7879 3.9444 2.3038 2.6928 N-acetylarginine 0.1288 0.4243 0.7681 0.9288 0.5234 0.1300 0.2501 0.4239 0.0891 0.2899 0.1698 0.3795 1.2078 1.1264 1.1622 1.3600 1.2572 1.4912 1.1211 1.1040 1.0712 1.5884 1.4440 1.4738 N-acetylasparagine 1.2809 2.1410 1.9817 3.7149 2.4493 2.0256 1.6681 1.6659 1.5516 2.5286 2.2088 2.3508 0.3218 0.3103 0.4032 0.3409 0.3714 0.4628 0.3789 0.4386 0.4088 0.7191 0.4337 0.3799 N-acetylaspartate (NAA) 1.1665 2.1388 7.8060 13.7201 2.1882 7.1507 9.1333 4.4327 4.1338 21.1119 7.8312 27.7717 0.2921 0.2353 0.2621 0.2529 0.2702 0.5581 0.2426 0.8335 0.2679 0.4810 0.3181 0.7230 N-acetyl-aspartyl-glutamate (NAAG) 0.0363 0.0363 0.0373 0.0363 0.0363 0.0363 0.0363 0.0363 0.0363 0.0363 0.0363 0.0363 0.9991 0.8946 1.0690 0.9597 1.1028 1.0177 1.0147 1.2777 1.0009 0.9901 1.1531 0.9390 N-acetyl-beta-alanine 0.3651 0.3651 1.1410 1.9963 1.4201 0.8570 0.8590 1.7094 0.3651 0.3651 0.3651 0.7257 0.3651 0.3651 0.3651 0.3651 0.3651 0.3651 0.3651 0.3651 0.3651 0.3651 0.3651 0.3651 N-acetyl-beta-glucosaminylamine 0.5048 0.4695 3.3555 2.4986 1.9993 1.3288 0.8228 0.5561 0.9863 1.5624 1.1241 1.3444 0.9431 1.0137 1.0260 0.9142 0.8789 1.2099 1.0753 0.9524 0.7951 1.2441 0.4940 0.8636 N-acetyl-cadaverine 1.6097 0.6413 2.9167 1.8822 1.1089 1.0655 0.9345 1.3669 0.4733 0.7042 1.2903 1.1755 0.1920 0.1920 0.1920 0.1920 0.1920 0.5496 0.4736 0.1920 0.1920 0.5980 0.1920 0.1920 N-acetylcitrulline 0.6608 2.4007 1.5105 5.2277 1.6421 2.2942 1.0370 1.3218 1.2794 1.3534 1.5681 2.7675 0.3701 0.3154 0.2325 0.5069 0.3847 0.9338 0.3628 1.0031 0.4841 0.9969 0.5410 0.4919 N-acetylcysteine 0.7380 0.6996 1.1460 9.5885 1.0097 1.8007 0.7888 0.9754 0.6774 0.7999 0.6315 0.9280 1.0119 0.9255 0.9686 1.0670 1.1008 1.7164 1.0046 1.3730 0.9954 0.8106 1.0863 1.2146 N-acetylglucosamine/N-acetylgalactosamine 1.5688 1.8374 2.1305 1.0983 2.1532 2.2738 1.5755 1.8013 1.2427 1.6910 1.0000 1.2084 0.1574 0.1461 0.2030 0.1610 0.0744 0.1668 0.0744 0.2195 0.1251 0.1796 0.1559 0.1573 N-acetylglucosaminylasparagine 0.0930 0.1107 0.0930 0.1329 0.0930 0.1498 0.2165 0.0930 0.0930 0.3255 0.1729 0.3977 1.3996 1.0087 0.8407 1.1053 0.9913 1.2623 1.0917 1.3961 1.1960 1.3716 1.5441 1.2105 N-acetylglutamate 1.7335 10.3321 14.8486 7.8884 8.5002 1.3085 5.4019 9.6989 1.7443 6.0918 2.0029 4.8474 0.1589 0.1329 0.1411 0.2174 0.1687 0.6154 0.1492 0.4379 0.2148 0.6915 0.5605 0.3245 N-acetylglutamine 1.0349 3.2444 2.5565 15.5979 1.6367 1.6474 0.9651 1.5229 0.4189 1.3475 0.9522 2.1865 0.1456 0.3041 0.2161 0.2122 0.1961 1.8869 0.2718 1.0658 0.1606 1.5714 0.2677 0.5336 N-acetylglycine 1.3307 1.9553 1.0703 2.6732 4.1423 1.9511 2.3239 1.3427 1.7905 2.0930 5.3777 2.7105 0.4199 0.4195 0.8416 0.7296 0.5461 0.9297 0.3899 0.7588 0.3951 0.8810 0.3380 0.6586 N-acetylhistamine 5.1032 0.4720 8.3297 6.0999 96.6306 42.6957 54.2144 0.2291 33.4561 50.0543 150.2273 113.5040 0.6078 0.6522 0.3075 0.6831 0.4250 0.5058 0.7419 1.0000 0.6786 1.2866 0.8254 0.2291 N-acetylhistidine 0.2599 0.5923 0.9038 1.4375 0.3714 0.2946 0.2220 0.3714 0.1601 0.2281 0.2167 0.4063 1.0527 1.0132 0.9901 1.2684 1.1611 1.4349 1.0099 1.4072 1.0828 1.4332 1.4477 1.4002 N-acetylisoleucine 0.8675 0.8154 0.8427 4.7764 1.8795 0.9846 0.7143 0.6889 0.9859 1.0838 0.9920 1.5004 0.9260 1.0080 0.7904 1.3802 1.1028 2.2149 1.0080 1.7972 0.7947 2.6853 0.8711 1.4185 N-acetyl-isoputreanine 1.2904 0.9099 0.7465 1.5345 1.2200 1.3166 0.8690 1.5461 0.6288 1.2123 0.9607 1.0093 0.8347 0.7476 1.0560 0.9907 1.2358 0.8138 0.8830 1.1447 0.9592 1.0379 0.9219 1.0797 N-acetylleucine 0.9531 0.9984 1.4466 8.3054 1.6949 0.9650 1.1080 0.8311 1.2562 1.0000 1.1032 1.9886 0.8092 0.9217 0.8199 0.9995 1.0520 4.0128 0.9331 1.9061 0.8206 4.5554 0.9018 1.0000 N-acetylmethionine 0.2708 0.3800 1.2054 0.6392 0.7236 0.2650 0.3755 0.4474 0.2612 0.5005 0.2809 0.3787 1.0631 1.0178 0.9822 1.3926 1.2714 2.1950 1.2204 1.6629 1.1541 2.6068 1.6256 1.7680 N-acetylmethionine sulfoxide 0.3475 0.2710 0.8726 0.7668 0.6165 0.2549 0.5922 0.5369 0.2685 0.5784 0.7310 0.3799 1.2566 1.2163 1.1795 1.4297 1.1274 5.3842 1.2268 1.9912 1.2675 5.0646 1.6919 1.5164 N-acetylmuramate 0.8981 2.3884 3.3342 1.4997 2.9617 1.0734 0.5228 1.9495 0.3105 0.7089 0.9266 0.8251 0.3105 0.3105 0.3105 0.3105 0.3105 0.3105 0.3105 0.3105 0.3105 0.3105 0.3105 0.3105 N-acetylneuraminate 1.4049 1.7289 0.9991 1.1330 1.1354 1.5521 1.5986 1.2833 1.1864 1.6548 0.8031 1.2996 1.0009 0.7390 0.9894 0.8158 1.0437 0.7768 0.9068 0.1400 0.6318 0.5619 0.5793 0.8214 N-acetylphenylalanine 0.8635 1.1278 1.7085 1.0106 1.8430 0.8085 1.2886 0.9894 1.3909 1.2233 1.2436 1.5323 0.4773 0.4611 0.3752 0.6918 0.5610 1.4683 0.4593 1.1406 0.4535 1.6034 0.5321 0.7668 N-acetylproline 0.1316 0.1298 0.1298 0.1298 0.1298 0.9010 0.1377 0.1310 0.2535 0.1298 0.6062 2.4678 1.0116 1.0090 1.1516 1.1833 1.1778 0.9910 0.9010 1.0900 0.9381 1.2969 1.2706 1.2750 N-acetylputrescine 16.3592 3.4553 0.9723 2.9928 0.9539 2.0440 1.0601 1.7904 0.8570 1.7644 1.0277 1.3290 0.8938 0.8188 0.6353 0.9495 0.7971 1.0530 0.8792 0.9346 0.8117 1.2443 1.0796 0.6264 N-acetylpyrraline 0.6677 0.1576 0.6977 21.4166 0.4684 2.6625 0.2011 0.0955 1.0081 0.2818 0.6234 2.2580 0.8988 0.8836 0.9452 1.6537 1.2991 4.4522 1.1037 1.6500 0.9919 3.0638 1.9683 2.0238 N-acetylserine 0.4661 2.6317 0.3023 1.4368 0.2849 0.3246 0.1306 0.1934 0.1761 0.1958 0.2602 0.6616 0.9870 0.8128 1.2088 1.0813 1.2459 1.3460 1.0130 1.0987 1.0972 1.4221 1.4003 1.0376 N-acetylsphingosine 0.7215 1.8434 0.9038 0.7215 0.7215 0.7215 1.1392 0.8414 0.7215 0.9877 1.3775 0.7215 0.7215 0.7821 1.4045 0.7215 0.8825 1.5159 1.0123 1.2151 0.9192 1.4823 0.8885 0.7215 N-acetyltaurine 1.6683 1.7664 0.0571 1.9478 2.6150 2.3762 1.6336 0.4404 1.1834 0.0120 1.9096 1.6917 0.7864 0.7140 0.8011 0.9097 0.9263 0.8398 0.8474 1.1294 0.8515 1.0625 1.0320 0.9680 N-acetylthreonine 0.5620 1.6622 0.6360 1.4680 0.5601 0.3834 0.1972 0.3813 0.0697 0.3738 0.1562 0.5432 1.0517 0.8892 1.0320 1.0578 1.1382 1.5951 0.9680 1.2229 1.0721 1.4443 1.1992 1.0626 N-acetyltryptophan 1.1045 1.1628 1.4364 1.3016 1.4643 1.2418 1.5642 1.3931 1.6278 1.5818 1.1869 1.3432 0.3484 0.3533 0.3190 0.4167 0.3986 0.8479 0.4220 0.4886 0.3629 0.8955 0.5180 0.4596 N-acetyltyrosine 0.3604 2.4362 3.0829 1.4125 2.7338 0.7485 0.9327 0.8380 1.0756 1.7960 0.8665 1.2892 0.8545 0.7434 0.6430 0.9390 0.8284 2.1057 0.9384 4.7962 0.7695 2.0930 1.2788 1.0610 N-acetylvaline 1.0292 0.6821 0.9796 0.9192 1.1154 0.6970 0.7352 0.7621 0.9081 0.7722 1.0831 0.9984 1.0745 0.9686 0.8761 1.2381 1.0016 1.5041 1.0051 1.8847 0.9029 1.5435 1.1020 1.0876 N-alpha-acetylornithine 1.2277 4.3526 5.9408 3.7075 4.0691 1.7973 4.4293 6.0628 3.2353 3.3330 2.4140 4.1823 0.5902 0.5845 0.6177 0.6473 0.5792 0.6932 0.5990 0.3389 0.5177 0.7432 0.7723 0.6410 naringenin 0.9761 0.3116 0.3629 1.7007 8.5407 14.5733 1.5908 0.3116 0.6907 1.0335 0.5131 1.0000 8.4028 0.5799 0.8992 0.7355 0.5937 11.2483 0.7047 3.4151 1.3965 6.2297 1.8449 0.3251 N-carbamoylaspartate 0.3599 0.5561 14.6958 1.7461 8.7075 0.7665 1.0614 1.5370 0.4423 0.9386 0.8867 2.4094 0.3599 0.3599 0.3599 0.3599 0.3599 0.5021 0.3599 0.3599 0.3599 2.2316 0.3599 0.3599 N-delta-acetylornithine 1.6067 2.7803 3.8912 2.4389 4.3090 1.4602 1.5173 4.7652 1.3558 2.6840 1.2711 2.7345 0.4230 0.4516 0.2855 0.2885 0.2634 0.6301 0.5460 0.4262 0.5549 0.7289 0.6154 0.4086 N-formylanthranilic acid 1.0000 2.1627 1.1058 7.2109 1.1385 1.8052 1.5410 1.3417 1.6513 1.3166 1.1370 15.3612 0.2388 0.2208 0.2540 0.1630 0.1819 0.4384 0.1800 0.4731 0.2101 0.4008 0.1630 0.2214 N-formylmethionine 0.9171 0.8484 5.4395 12.7269 2.7157 1.3099 1.6322 1.8802 1.1233 1.9924 1.0829 1.6408 0.3159 0.2817 0.3084 0.3751 0.3521 1.4106 0.3407 0.5380 0.3462 1.3378 0.3869 0.4619 N-formylphenylalanine 2.3117 1.7936 4.5661 0.2700 4.2549 1.6035 3.5075 3.1849 3.0745 3.8598 2.4814 0.2700 0.2700 0.4777 0.4200 0.3886 0.4900 0.8986 0.5361 0.4089 0.5313 1.1014 0.4640 0.3833 nicotianamine 0.0694 0.0265 0.0762 0.0490 0.0638 0.2121 1.2922 0.0326 0.0470 0.0570 0.0435 0.0497 1.3222 1.0741 1.2561 1.5457 1.3980 0.9259 1.3666 1.5498 1.1433 1.4151 1.4796 1.1165 nicotinamide 1.1083 0.2538 0.6676 0.5598 0.5760 1.0868 1.6606 0.4489 3.1836 3.3367 0.9823 1.3220 1.1315 1.2249 0.4805 1.2584 1.0000 0.7064 1.2205 0.9115 0.8891 0.2538 0.7328 1.4003 nicotinamide N-oxide 0.0756 0.0756 0.0756 7.2996 0.0756 1.1403 0.0756 0.0756 0.0756 0.0756 0.0756 1.0000 1.0128 0.8529 1.0026 0.9804 0.9200 0.3153 0.9847 1.7720 1.2326 0.0756 0.7856 1.4246 nicotinamide riboside 0.7230 2.1559 6.8494 2.3659 4.3813 1.2689 2.4396 3.6152 0.6975 2.4740 1.0227 1.4371 0.5651 0.5368 0.5939 0.6452 0.6740 9.9179 0.5283 0.9773 0.5578 6.9347 0.6273 0.7645 nicotinate 1.5243 5.7146 11.3799 3.3373 9.7707 1.2841 3.6185 8.4285 0.8276 3.5096 1.3244 2.7355 0.1612 0.1759 0.1567 0.1389 0.2266 1.1163 0.1538 0.3169 0.1374 0.8837 0.1429 0.1844 nicotinate ribonucleoside 2.2285 1.1299 15.2273 4.6376 8.8782 1.6630 0.9881 7.2155 0.7009 2.9402 0.7381 2.4135 0.8867 0.5403 0.6653 0.7201 0.6891 1.5659 0.7012 1.0119 0.7184 1.4606 0.6382 0.5309 nicotinic acid mononucleotide (NaMN) 0.2969 0.1622 0.5159 0.5771 0.3865 0.6438 1.1685 0.8040 1.1260 0.9189 0.5301 0.6619 1.2139 0.9164 1.0518 1.1984 1.1797 1.0984 0.9746 1.3096 1.0254 1.2044 1.4985 1.2239 nisinate (24:6n3) 1.1114 3.3199 2.1928 0.9811 0.6506 1.6057 1.1254 1.3920 2.7253 2.2559 1.2464 0.5736 0.5165 0.4765 0.5149 0.7068 0.8911 1.1680 0.6250 0.4260 0.5142 1.0134 1.0911 0.9866 N-linoleoylglycine 0.4265 0.4265 0.4265 1.0000 0.4265 0.7947 0.4265 0.4265 0.4265 0.4265 0.4265 0.4265 0.7769 0.9270 0.5139 0.8755 1.0031 2.8373 1.1427 0.9574 1.2369 2.7916 1.2508 1.2609 N-linoleoyltaurine 3.1652 6.9213 0.3777 0.9745 1.0706 2.5193 0.3777 0.3777 2.0550 0.3777 4.1887 2.0365 0.3777 0.3777 0.4095 0.3777 0.8132 0.9855 0.4818 0.3777 0.4935 1.0145 0.7093 0.3777 N-methylalanine 0.3583 1.0431 2.7204 0.7398 3.9022 0.4446 1.0116 1.0368 0.3010 1.4672 0.3743 0.9884 0.3010 0.3010 0.3010 0.3010 0.3010 0.3010 0.3010 0.3010 0.3010 0.3010 0.3010 0.3010 N-methyl-GABA 0.7563 0.3399 5.7006 2.8051 2.5985 1.2788 1.9289 0.2343 0.4500 1.9736 1.2437 1.4919 0.2343 0.2343 0.2343 0.2343 0.2343 0.6765 0.2343 0.3992 0.3584 0.5446 0.2343 0.2343 N-methylhydroxyproline 0.5851 0.5144 0.5144 8.4481 0.5845 2.1198 0.5144 0.5144 0.5144 0.5144 0.5144 2.3656 1.0000 0.8684 0.5144 0.9886 0.6099 0.9970 1.0853 1.2846 0.5144 0.5144 1.1247 1.1469 N-methylproline 1.0614 0.5419 2.4146 0.6464 1.4391 0.4852 0.9386 1.1232 0.8036 1.3094 1.3384 1.1251 0.0066 0.0066 0.0066 0.0126 0.0066 0.0066 0.0066 0.0066 0.0066 0.0066 0.0066 0.0066 N-oleoylserine 0.5107 0.5107 0.5107 0.5107 0.5107 0.5107 3.3331 0.5107 4.1445 0.5107 1.5370 0.5107 0.5107 0.5813 0.7354 0.5107 0.5107 0.8996 0.5107 0.6580 1.1004 1.4377 1.1502 0.7702 N-oleoyl-sphingosine (d18:1/18:1) 0.7235 2.6702 1.4252 1.9820 0.2743 1.0021 1.6851 1.0317 4.3542 1.6941 1.7946 3.2693 0.8505 0.3971 0.2930 0.9979 0.6120 1.6011 0.4484 0.8630 0.8863 1.5450 0.7516 0.8387 N-oleoyltaurine 1.0609 5.8750 0.2060 0.5291 0.4072 0.4087 1.0000 0.2060 2.6755 0.2060 2.4718 1.6611 0.2060 0.2060 0.2060 0.2060 0.2060 0.2060 0.2060 0.2060 0.2060 0.2060 0.2728 0.2060 nonadecanoate (19:0) 0.3560 1.6866 1.1394 0.8592 1.2012 1.1090 1.1521 1.1784 1.0092 1.0416 0.5586 0.3613 0.7542 0.9590 0.7095 0.5997 0.7477 1.5198 1.0326 0.5576 0.9908 1.1946 0.8225 1.1777 N-palmitoylglycine 0.2356 0.6805 0.2356 0.3457 0.2356 0.2994 0.2356 0.2356 0.2356 0.2356 0.2356 0.2356 0.7910 1.2047 1.0121 0.8846 0.9879 1.4105 1.3516 1.0569 1.1145 1.8261 1.1170 0.8057 N-palmitoyl-sphingadienine (d18:2/16:0) 1.1238 2.3762 1.4555 1.3917 0.6308 1.0640 1.6979 1.1083 1.6174 1.8916 1.1982 1.5787 0.5576 0.4792 0.4459 0.6013 0.4999 1.0561 0.3405 0.8740 0.6326 0.9439 0.8337 0.6005 N-palmitoyl-sphinganine (d18:0/16:0) 1.3020 1.9454 1.0017 1.2818 0.7433 1.8848 1.8436 0.9952 2.2753 1.8871 1.3935 2.3308 0.8733 0.7198 0.8381 0.7939 0.7559 0.8398 0.5592 0.8623 0.9393 0.9983 1.0880 1.0473 N-palmitoyl-sphingosine (d18:1/16:0) 1.6151 2.0895 0.9865 1.1811 0.7822 1.5205 1.2914 0.9441 1.8197 1.3812 1.2647 1.6749 0.6890 0.5482 0.7096 0.6410 0.6616 1.1136 0.5046 1.0268 0.7176 1.0135 0.8298 0.7224 N-stearoyl-sphinganine (d18:0/18:0) 1.0542 1.5592 1.8197 2.1931 2.2000 2.6660 2.7161 1.0494 2.9473 2.9774 1.0000 1.9606 0.5673 0.9237 0.2398 0.3985 0.5330 0.7223 0.4156 0.1850 0.6094 0.4122 0.1850 0.5988 N-stearoyl-sphingosine (d18:1/18:0) 1.3915 2.3132 1.0769 1.5009 0.8985 1.4724 1.2758 0.9231 1.9939 1.4856 1.2606 1.5120 0.6789 0.3688 0.3353 0.6523 0.5645 1.3631 0.2914 0.5304 0.5708 1.0928 0.5086 0.5967 N-stearoyltaurine 2.8626 4.2543 0.4843 0.4843 0.4843 0.7107 0.8629 0.4843 1.7743 0.4843 1.6623 1.0000 0.4843 0.4843 0.4843 0.4843 0.4843 0.4843 0.4843 0.7259 0.4843 0.4843 0.4843 0.4843 octadecanedioylcarnitine (C18-DC) 0.0944 0.0709 0.3857 0.4990 0.1779 0.6084 0.9061 0.0709 0.0709 0.3951 0.0709 0.3282 1.2828 1.4599 1.0000 1.3382 1.3332 1.6975 1.6789 1.6344 1.2622 0.8998 1.4513 1.4697 octadecenedioate (C18:1-DC) 1.8781 11.4703 3.4102 2.9195 6.8077 1.4891 4.5912 11.2416 2.5786 4.9224 1.5401 2.9647 0.3293 0.2732 0.1873 0.1828 0.1234 0.3857 0.2755 0.1659 0.4933 0.3337 0.5109 0.3498 octadecenedioylcarnitine (C18:1-DC) 0.0307 0.0259 0.0265 0.1049 0.0259 0.3675 0.2316 0.0259 0.0274 0.1181 0.0268 0.0787 1.9873 2.2102 1.9437 1.3795 1.9678 1.5755 1.6986 1.6441 1.2646 0.7354 1.4386 1.2953 octanoylcarnitine (C8) 0.0969 0.0969 0.0969 0.1852 0.0969 0.1459 0.2844 0.0969 0.0969 0.0988 0.0969 0.2709 1.1901 1.1240 1.3528 1.0115 1.4928 1.8978 1.3317 1.7719 0.9583 1.4116 0.9885 0.8035 oleanolate 0.7973 1.0017 0.9003 1.3166 1.0373 0.7223 0.9216 1.2147 1.7967 1.2172 0.9983 0.7106 0.7106 0.7106 0.7106 0.7106 0.7106 0.7106 0.7106 0.7106 0.7106 0.7106 0.7106 0.7106 oleate/vaccenate (18:1) 0.7409 1.4945 1.3863 0.9057 0.7162 0.9536 1.5305 1.0079 1.5931 1.4503 0.9754 0.6898 0.7247 1.0780 0.9083 0.9436 1.2256 1.1145 0.9921 0.6893 0.7744 1.2624 1.1223 1.1389 oleoyl ethanolamide 1.3547 4.2254 1.8124 1.9371 0.9129 0.9588 1.4863 1.0622 1.5202 1.0412 1.1391 1.8730 0.5986 0.5239 0.3937 0.5013 0.4767 1.4934 0.5103 0.7271 0.6666 1.3045 0.6611 0.6534 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2] 0.1269 0.1269 0.1269 0.1269 0.4261 0.3171 0.1269 0.1269 0.1269 0.1269 0.2895 0.5782 1.1056 1.0000 1.8642 1.1515 1.3308 0.1269 1.1362 1.5744 1.2900 0.1269 0.6614 0.8953 oleoylcarnitine (C18) 1.4862 2.0187 0.7261 1.5957 0.8354 2.2298 1.8374 0.9192 2.1210 0.6288 0.6208 1.2277 0.7911 0.9139 0.5130 0.8080 0.8088 1.1088 1.0070 0.9875 1.0746 0.9930 1.0954 1.0622 oleoylcholine 0.5652 0.4043 0.7923 0.6389 0.1311 0.1527 1.2093 0.4311 0.6172 0.5451 0.1331 0.6462 1.1814 1.8274 0.9385 1.3114 1.2808 1.7423 1.5795 1.9603 1.7445 1.7522 2.3455 1.0615 oleoyl-linolenoyl-glycerol (18:1/18:3) [2] 0.5934 0.0988 0.3224 0.1718 0.7978 0.6073 0.3256 0.3476 0.3570 0.2719 0.9331 1.1453 2.4765 1.7703 3.2468 2.5399 2.4606 0.9310 2.4461 3.4536 2.7625 1.0669 1.4462 1.7382 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 0.7993 0.0793 0.0921 0.1967 0.3476 0.5343 0.3833 0.2568 0.3114 0.3072 0.8685 1.0210 2.2535 2.4754 3.3076 2.4987 2.2889 0.9790 2.3812 4.0078 2.9607 1.1533 1.8475 1.5783 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 0.4944 0.1275 0.3220 0.2147 0.7306 0.6785 0.4193 0.4005 0.2287 0.3588 0.9780 1.0889 2.5460 2.1236 3.1321 2.4406 2.0668 0.8291 2.2027 2.8676 2.9279 1.0220 1.6746 1.6304 oleoyl-oleoyl-glycerol (18:1/18:1) [2] 0.3575 0.1289 0.1793 0.1289 0.5248 0.5368 0.1289 0.2886 0.1289 0.2092 0.7427 0.6572 1.7187 1.6034 1.9195 1.7567 1.3724 0.1289 1.7695 2.8254 2.3449 0.6750 1.2573 1.4509 ornithine 0.7627 2.3121 3.8637 1.6093 2.7815 3.5727 1.5951 2.4597 1.8030 2.2467 2.6738 3.0558 0.6699 0.5967 0.8466 0.6339 0.8062 0.9012 0.6815 0.6030 1.0315 0.6651 0.9685 0.6999 orotate 0.2246 0.4177 9.4080 14.3500 3.5720 0.6523 0.2726 0.9840 0.1454 0.1598 0.2959 1.8877 1.0160 0.8540 0.8038 1.8034 1.3700 6.5514 0.9423 1.3905 0.9834 5.1063 1.7684 2.8672 orotidine 0.1465 0.1465 0.1465 1.6482 0.1465 0.1465 0.1465 0.1465 0.1465 0.1465 0.1465 0.2272 0.6985 0.5220 0.7727 1.1729 1.1941 1.4235 0.8490 1.1455 0.8902 1.1308 1.0000 1.5752 O-sulfo-L-tyrosine 0.2281 0.2281 0.2281 7.4498 0.3106 1.4987 0.2631 0.2281 0.2281 0.2281 0.2281 1.7220 1.0000 0.8108 1.0000 1.1292 1.1088 0.3590 0.8091 1.2824 0.7503 0.2281 1.1100 0.9703 o-Tyrosine 0.7244 0.3165 3.1825 1.9648 1.4139 0.8741 1.6379 0.3165 0.8836 1.2848 1.0571 0.3165 0.8361 0.9943 0.3165 0.6879 0.3165 1.1890 1.1660 0.8870 1.4564 1.0057 0.9250 0.7603 palmitate (16:0) 0.7452 0.8876 1.0208 0.7611 0.8629 1.0185 1.1103 0.9394 1.0271 1.0086 0.8643 0.6455 0.8177 1.1476 0.9516 0.9415 1.1765 1.0672 1.0424 0.8007 0.9914 1.3009 1.0832 1.1687 palmitoleate (16:1n7) 0.8828 1.2378 1.1009 1.1057 0.7069 0.8007 1.3543 0.8759 1.2513 1.2364 0.8948 1.1501 0.8360 1.1325 0.7638 0.9073 1.1363 1.0443 1.0288 0.7285 0.6804 1.1680 0.7894 0.9712 palmitoleoyl ethanolamide 1.2381 1.8159 0.8040 1.3006 0.9015 1.0153 1.0347 1.1034 1.5139 0.7684 1.2847 3.5953 0.7816 0.9903 0.5449 0.8286 0.7849 1.5164 0.5824 1.0097 0.7739 1.7734 0.8344 0.8007 palmitoleoylcarnitine (C16:1) 0.4975 0.1480 0.1922 0.6513 0.1669 0.8555 0.8018 0.1935 0.7963 0.2305 0.1600 0.6534 1.7554 1.4812 1.7538 1.2153 1.6956 1.8841 1.9635 2.1174 1.5771 1.1881 1.5729 1.1445 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1] 0.2815 0.2815 0.2815 0.2815 0.2815 0.2815 0.2815 0.2815 0.2815 0.2815 0.2815 0.4410 0.9825 1.3025 1.3896 0.9524 1.0175 0.5807 1.3064 1.9681 1.1851 0.4989 1.0454 0.7016 palmitoyl dihydrosphingomyelin (d18:0/16:0) 0.9279 1.5081 1.0020 1.5667 0.9338 1.6176 1.0646 0.7850 1.6005 1.2834 1.5320 1.8802 1.1399 0.7875 0.9851 0.9627 0.7435 1.0329 0.7123 0.9335 1.0605 0.9980 0.9860 0.9783 palmitoyl sphingomyelin (d18:1/16:0) 0.9264 1.5861 1.0030 1.6337 1.0397 1.6400 1.1893 0.8523 1.1052 1.1748 1.1895 1.3611 0.8636 0.8139 0.9900 0.6576 0.6772 1.3289 0.7239 1.4537 0.9886 0.9970 0.8740 0.7327 palmitoylcarnitine (C16) 0.8771 0.7084 0.1984 0.7534 0.5245 1.7002 0.8249 0.4768 0.9848 0.3592 0.2804 0.6609 1.0869 0.9733 1.0152 1.1461 1.2109 1.6535 1.3813 1.6741 1.5738 1.1167 1.2360 1.0464 palmitoylcholine 0.7929 0.4172 0.9206 0.6831 0.2320 0.2999 1.3577 0.5126 0.9662 0.5828 0.2320 0.7789 1.3827 1.5365 0.8469 1.5706 1.3775 1.6215 1.4635 2.2282 1.4566 2.2755 2.6040 1.0000 palmitoyl-linolenoyl-glycerol (16:0/18:3) [2] 0.6902 0.1145 0.1344 0.1145 0.7094 0.5588 0.3042 0.2850 0.1145 0.3282 0.6590 0.6922 3.0318 2.0249 3.7908 2.8158 2.9052 0.8609 3.1644 3.6833 3.6164 1.1391 1.6423 2.1530 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1] 0.8334 0.1456 0.1456 0.1456 0.1751 0.4520 0.2411 0.1456 0.2755 0.1656 0.6691 0.6801 2.1317 2.3121 3.3750 2.6202 2.2395 0.9366 2.2964 3.6894 2.6937 1.0000 1.7137 1.3473 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2] 0.6076 0.1626 0.2544 0.2004 0.7458 0.6770 0.3448 0.4454 0.2038 0.3082 1.0053 0.9499 2.7871 2.6227 3.6381 2.8261 2.2817 0.9947 2.6564 3.3410 3.3717 1.1979 1.9924 1.7804 pantetheine 0.7131 1.6257 5.0435 4.0122 2.5718 0.5107 1.2498 1.8564 0.7502 0.7455 0.5381 0.6276 0.5107 0.5107 0.5107 0.5107 0.5107 0.5107 0.5107 0.5107 0.5107 0.5107 0.5107 0.5107 pantothenate (Vitamin B5) 4.8582 13.9019 11.7821 13.9506 11.5259 8.5983 1.4940 4.8293 1.2263 2.6051 1.2401 4.1220 0.4471 0.3729 0.5662 0.7737 0.4771 0.2230 0.5420 0.7567 0.6553 0.2216 0.7268 0.5576 p-cresol sulfate 1.2820 13.5606 0.1660 6.7149 0.2457 0.6126 1.6564 1.0322 0.1660 1.0000 0.3119 207.3071 0.1660 0.1660 0.1660 0.1660 0.1660 0.4384 0.1660 0.1660 0.1660 0.3253 0.1660 0.1660 pentadecanoate (15:0) 1.0548 2.3627 2.3654 1.3420 1.0519 1.1343 1.4409 2.1368 1.4296 1.4948 1.1740 1.1073 0.5560 0.7133 0.7238 0.6188 0.7350 0.7753 0.7338 0.5450 0.6934 0.9481 0.7793 0.7268 phenethylamine 0.8811 0.8401 1.0610 1.5243 1.5958 1.0424 0.7569 2.0052 1.2976 1.1218 0.8714 1.3814 1.2765 0.6860 0.8375 0.7149 0.2604 0.6520 0.7718 1.0796 0.8279 1.0850 1.0000 0.2604 phenol sulfate 1.0000 4.2923 1.0291 1203.7529 0.5046 36.0174 1.2631 0.2004 0.2777 0.2004 0.3060 164.2818 0.2004 0.2004 0.2004 0.2004 0.2004 0.3844 0.2004 0.2004 0.2004 0.3051 0.2004 0.2004 phenylacetate 0.5515 1.6778 1.8946 0.8150 1.2040 0.2350 1.1880 0.7688 0.6255 1.1850 1.2182 0.6651 0.2350 0.2350 0.2350 0.2350 0.2350 0.2350 0.2350 0.2350 0.2350 0.2350 0.2350 0.2350 phenylacetylglutamine 0.5697 0.6363 1.0652 2.5180 1.9840 0.6030 1.4763 0.8597 0.6843 1.5074 0.9348 2.9729 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 phenylacetylglycine 1.0000 7.1834 0.2575 588.4140 0.2575 59.6991 0.2575 0.2575 0.2575 0.2575 0.4483 351.4958 0.2575 0.2575 0.3033 0.2575 0.2694 3.4721 0.5888 6.3747 0.2575 0.4642 0.7152 2.6098 phenylalanine 0.5982 0.4681 3.7516 2.4345 2.6685 1.7789 1.6551 0.4236 1.2690 2.2108 1.1865 1.0991 0.7854 0.9336 0.7981 0.7122 0.5235 0.9079 1.2336 0.8115 1.0935 1.0664 0.7317 0.7643 phenylalanylalanine 0.2618 0.1566 7.3089 2.2509 4.0178 0.7017 0.8217 0.7608 0.6040 0.8832 0.3609 0.2998 1.0854 1.3477 1.0875 1.0096 0.9938 1.4052 1.5328 0.9509 0.9212 1.5860 1.0062 1.2848 phenylalanylglycine 0.5653 0.4161 7.1049 3.4277 5.0738 1.1669 1.4607 1.3437 1.0235 1.8666 0.9033 0.9841 0.8189 1.0468 0.6148 0.6291 0.6278 0.6624 1.2835 0.9185 1.0782 1.0159 0.9564 0.7318 phenyllactate (PLA) 0.9457 0.1825 0.4221 2.3525 1.2201 4.9609 1.0543 0.4811 0.8290 0.4104 1.5909 2.9088 0.1825 0.1825 0.1825 0.1825 0.1825 0.1825 0.1825 0.1825 0.1825 0.1825 0.1825 0.1825 phenylpyruvate 0.7326 1.7010 4.1816 11.3601 2.3259 1.0000 0.7506 0.4405 0.0983 1.3793 0.4217 1.7897 0.0983 0.0983 0.0983 0.0983 0.0983 0.4202 0.0983 0.6464 0.0983 1.0932 0.0983 0.0983 pheophorbide A 0.4223 0.1358 0.1068 0.3980 0.5681 1.0574 0.1363 0.1203 0.1572 0.1398 0.4360 0.5296 1.7039 1.4996 1.3157 1.2057 1.3295 1.1041 1.3170 0.9426 1.2040 1.3856 1.3389 1.2746 pheophytin A 0.7001 0.7819 0.3382 0.6028 1.3832 1.5304 0.4066 0.6693 0.4018 0.5258 1.6398 1.4872 1.3553 1.0890 1.0365 0.8772 1.2410 1.1754 0.9806 1.1975 1.0174 1.1947 0.9826 0.9053 phosphate 0.4050 0.6823 4.4525 3.0786 1.0122 0.4205 1.5878 2.5434 0.0212 0.6705 0.5195 1.0859 0.7555 1.1227 0.9484 0.5913 1.2645 2.6093 0.9878 0.8338 0.4208 1.8196 1.1549 1.4054 phytosphingosine 0.7742 2.1147 0.4581 1.0135 0.4798 1.7150 0.5366 0.3746 1.0592 0.6220 0.7322 0.8000 1.5310 0.6521 0.9865 1.4991 1.1506 2.8927 0.9236 1.2965 1.6228 1.3826 1.1100 0.8606 picolinate 0.8118 0.8118 0.9318 0.8589 4.2893 1.0000 0.8118 0.8118 0.8118 0.8118 2.7512 1.6312 0.8118 0.8118 0.8118 0.8118 0.8118 0.8118 0.8118 0.8118 0.8118 0.8118 0.8118 0.8118 pimelate (C7-DC) 0.9993 0.8779 2.2844 2.7773 1.0000 0.7793 1.2739 1.5605 0.8556 1.0140 0.5952 1.3604 0.1599 0.1599 0.1599 0.1599 0.1599 0.1599 0.1599 0.1599 0.1599 0.1599 0.1599 0.1599 pinitol 0.0040 0.0040 0.0040 0.0126 0.0040 0.0040 0.0040 0.0040 0.0040 0.0040 0.0040 0.0040 0.9913 0.8470 0.8487 1.0220 0.9408 1.4096 1.0087 1.1780 0.9319 1.7135 1.2926 1.1273 pipecolate 1.2050 1.2218 6.5826 5.8709 4.1299 1.7845 3.8766 0.7950 1.3954 4.1922 1.8009 3.9513 0.0270 0.0270 0.0271 0.0270 0.0335 0.5780 0.0474 0.2050 0.0414 0.3375 0.0542 0.0748 prolylhydroxyproline 0.0138 0.0079 0.0098 0.0177 0.0097 0.0909 0.0116 0.0032 0.0104 0.0032 0.0423 0.0082 1.3342 1.4638 1.0000 1.6253 1.3341 1.6601 1.5425 1.2921 1.3958 2.0428 2.0563 1.9658 proline 0.4274 0.4302 1.1842 0.7968 1.0602 0.9881 0.8197 0.4171 0.6238 1.0119 0.6957 0.4339 1.2869 1.7837 0.9853 1.4548 1.4073 2.0916 1.5243 1.2745 0.7953 2.9092 0.9802 2.8584 prolylglycine 0.3439 0.1702 0.4942 0.8990 0.2441 0.9551 0.4956 0.1702 0.4884 0.4977 0.6902 0.2033 1.7748 1.5989 1.0000 1.8354 1.1050 1.4367 2.0770 2.3443 2.0804 2.5107 2.9425 2.3251 propionylcarnitine (C3) 0.3963 0.1731 0.1731 0.1731 0.9524 0.7435 0.5244 0.1731 0.1731 0.3054 0.1731 0.9558 1.1595 1.1642 1.5942 0.7794 1.0000 1.1197 1.3438 1.2970 1.6776 0.5203 1.5615 1.2295 protoporphyrin IX 0.1657 0.2691 0.8163 0.8048 0.9287 0.5388 0.6608 0.9220 0.6461 0.9664 0.2891 0.2665 1.1672 1.9742 2.6252 1.0336 1.7945 1.6663 2.3285 1.3823 1.1680 1.1303 2.0253 2.5343 pseudouridine 0.1625 0.7987 3.9081 5.2811 2.9513 0.9662 0.4345 3.0369 0.1811 0.3686 0.1706 2.1670 0.9266 0.8174 1.1285 0.9670 1.0330 1.4718 1.1008 0.2556 1.1317 1.1368 1.0357 0.9190 pyridoxal 1.0507 1.4172 1.3980 1.9660 1.3905 0.4657 0.5199 1.0000 0.6019 0.7543 0.7280 1.0564 0.0419 0.0419 0.0419 0.0419 0.0419 0.0419 0.0419 0.0419 0.0419 0.0419 0.0419 0.0419 pyridoxamine 3.2038 13.1398 7.1275 10.1952 5.7427 2.9393 1.9850 2.7657 1.3197 1.9154 2.1419 2.6504 0.6234 0.5634 0.5268 0.6341 0.6620 0.1622 0.6699 0.3420 0.6643 0.2213 0.6803 0.5472 pyridoxate 2.8315 2.5027 2.6245 1.9766 2.6226 1.5637 1.7586 1.6651 1.3537 1.7981 2.2980 2.0253 0.3597 0.3789 0.2680 0.4689 0.3873 0.4030 0.3610 0.3675 0.4385 0.6463 0.4907 0.5296 pyridoxine (Vitamin B6) 1.3749 0.3174 1.1135 0.9683 1.6172 1.0317 0.4152 0.3174 0.3174 0.3996 1.1917 0.7026 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 pyroglutamine 0.9692 1.2957 0.9514 9.1512 0.9919 1.7116 0.8462 1.1812 0.7925 1.1198 0.9132 1.7951 0.7129 1.0081 0.6547 0.9037 0.8877 1.4251 1.2586 1.1653 0.5927 1.4630 0.6817 1.1471 pyrraline 1.1887 0.6241 1.1977 0.9918 1.0596 1.0938 1.4791 0.6720 1.2560 1.2795 0.8289 1.0323 0.6897 1.0082 0.5835 0.6775 0.4421 0.9159 1.1731 0.7462 1.1015 1.4008 0.9219 0.9714 pyruvate 1.3696 1.3463 0.9537 1.1151 1.0135 0.8444 1.1255 1.0221 1.0889 1.5923 1.0099 0.9901 0.6001 0.9307 0.5634 1.0391 0.8530 0.6141 0.8785 0.7120 0.5027 1.1135 0.4731 1.4081 quinate 0.0141 0.0138 0.1219 0.0847 0.0310 0.0203 0.0930 0.0907 0.0568 0.1167 0.0734 0.0542 2.2405 1.8781 2.1454 2.2903 2.4077 2.0398 2.2200 2.6849 2.2994 2.3672 2.5421 2.6257 quinolinate 1.2733 1.0139 1.2967 1.8745 0.7620 0.9464 0.8609 0.5254 0.7539 0.9288 0.9942 1.0689 1.0058 1.1357 1.0857 1.1764 0.8328 1.1435 1.1222 0.9300 0.9283 0.8287 0.5850 1.4625 raffinose 0.0004 0.0012 0.0005 0.0004 0.0004 0.0021 0.0004 0.0017 0.0004 0.0004 0.0017 0.0019 1.2325 1.0000 1.0565 1.0681 1.1161 0.0010 1.1152 1.1374 1.0209 0.0091 1.1249 1.0619 retinol (Vitamin A) 0.6422 0.7794 0.5762 4.2372 1.1435 2.6392 1.5189 0.5105 1.4512 0.8565 2.5472 0.6239 0.5105 0.5105 0.5105 0.5105 0.5105 0.5105 0.5105 0.5105 0.5105 1.9522 0.5105 0.5124 ribitol 0.0508 0.0508 0.0508 0.4908 0.0508 0.0508 0.0508 0.0508 0.0508 0.0508 0.0508 0.1396 1.4392 0.8286 0.7840 1.0042 0.9122 1.4450 1.0000 1.4535 0.9557 1.6125 1.3356 1.1089 riboflavin (Vitamin B2) 0.4940 1.7850 2.2692 4.0418 1.4192 1.1197 0.5689 0.8803 0.5486 0.6470 0.4291 1.3151 0.4291 0.4291 0.4291 0.4291 0.4291 0.4291 0.4291 0.4291 0.4291 0.4291 0.4291 0.4291 ribonate (ribonolactone) 0.0089 0.0104 0.0100 0.0776 0.0177 0.0162 0.0053 0.0088 0.0053 0.0053 0.0057 0.0165 1.0181 0.9921 1.0751 1.0736 1.0079 1.0527 1.1620 1.2672 1.0447 1.1077 1.1743 1.3675 ribose 2.0342 7.3764 5.6135 3.3620 5.4508 1.2843 2.3740 2.8957 0.7886 1.4903 0.7896 1.7886 0.7419 0.6711 1.0993 0.7255 1.0803 0.5442 0.8874 0.3459 0.9197 0.4228 0.8866 0.6251 ribulonate/xylulonate 0.0195 0.0247 0.0852 0.1220 0.0787 0.0426 0.0216 0.0617 0.0183 0.0256 0.0316 0.0411 1.9625 1.8780 2.3469 1.8986 1.9158 1.9949 2.1865 2.4282 2.2019 1.9138 2.2386 2.5207 ribulose/xylulose 1.7865 2.5356 2.1305 2.9061 2.5204 1.7039 1.2607 1.0000 0.4883 1.3556 1.3649 2.1331 0.2459 0.2549 0.2133 0.2133 0.2133 0.2133 0.2546 0.6340 0.4315 0.3675 0.3768 0.3542 S-(3-hydroxypropyl)mercapturic acid (HPMA) 0.2571 0.2571 0.2571 25.0806 0.2571 0.7042 0.2571 0.2571 0.2571 0.2571 0.2571 0.9617 1.0383 0.6061 0.7997 0.7506 0.5724 1.5765 1.0696 1.8576 0.9365 1.2609 1.4767 1.5498 S-1-pyrroline-5-carboxylate 0.8096 0.9726 1.4217 2.1998 1.4118 1.2497 1.0274 0.6142 0.6142 0.6142 0.6142 0.6142 0.6142 0.6142 0.6142 0.6142 0.6142 0.8803 0.6142 0.6142 0.6142 0.6142 0.6142 0.7861 salicylate 1.2652 1.0994 1.7978 2.5405 2.9585 1.8351 1.1934 1.7349 0.9776 1.0000 1.2923 1.3646 0.7120 0.4752 0.4752 0.6379 0.6287 0.8557 0.9451 0.6694 0.5819 1.0026 0.6880 0.5744 sarcosine 1.0600 0.7332 0.9799 2.2354 0.6019 2.0553 0.7291 0.4832 1.5016 1.0201 0.5967 2.3783 0.4832 0.4832 0.4832 0.4832 0.4832 0.4832 0.4832 0.4832 0.4832 0.4832 0.4832 0.4832 sebacate (C10-DC) 4.7308 4.6415 8.9590 2.9400 6.5258 1.6360 4.1158 5.9241 2.9258 6.9490 3.0639 3.0010 0.1808 0.2473 0.1709 0.2877 0.2340 0.1830 0.1882 0.1362 0.1476 0.3640 0.1553 0.3514 sedoheptulose 1.1519 2.6326 7.8372 3.6366 8.0917 1.7036 0.9393 1.8739 0.9259 1.0607 1.1129 1.5208 0.1509 0.1430 0.3590 0.1430 0.3334 0.1430 0.2487 0.3649 0.3897 0.1430 0.3933 0.1430 sedoheptulose-7-phosphate 0.0289 0.0289 9.2779 0.0289 6.0051 0.0289 1.6169 8.1022 0.1338 1.0000 0.0795 0.8923 0.0289 0.0289 0.0289 0.0289 0.0289 0.0289 0.0289 0.0289 0.0289 0.0289 0.0289 0.0289 serine 0.3760 0.3182 1.7554 1.3395 1.4990 1.0967 1.0307 0.3893 0.8435 1.5544 0.7893 0.8425 0.9693 1.1155 0.7785 0.7539 0.5399 0.8263 1.3402 0.9589 1.5938 1.0961 1.2519 1.0921 serotonin 2.3560 1.4583 2.0451 1.9665 1.6997 2.0379 1.8395 1.0896 2.0789 2.0781 2.5465 1.6716 0.2758 0.1861 0.2661 0.3801 0.2254 0.8227 0.3155 0.4246 0.4204 0.9104 0.2517 0.1787 sinapate 1.5846 0.2474 1.2106 2.4464 2.3266 1.5083 2.6297 0.8649 0.3151 0.7877 2.0209 2.7331 0.5281 0.2474 0.5085 0.5809 0.5942 6.7253 0.5178 0.5627 0.2941 7.4402 0.2474 1.1351 soyasaponin I 0.0671 0.0048 0.0050 0.0136 0.0082 0.0371 0.0106 0.0048 0.0067 0.0075 0.0260 0.0079 1.3530 1.1284 1.0000 1.2009 1.3205 1.3026 1.2949 1.2637 1.2115 1.2379 1.3492 1.2912 soyasaponin II 0.0437 0.0071 0.0071 0.0073 0.0071 0.0218 0.0071 0.0071 0.0071 0.0071 0.0156 0.0084 1.1336 0.9889 0.9123 0.9273 1.0983 1.1562 1.0414 1.0564 1.0111 1.1474 1.0859 1.1015 soyasaponin III 0.1822 0.0121 0.0253 0.1302 0.0737 0.1059 0.0693 0.0121 0.0227 0.0121 0.0346 0.0722 1.2216 1.0462 0.9899 1.0101 1.1606 1.2475 1.1491 1.1401 1.0759 1.2740 1.1914 1.1589 spermidine 2.6016 4.1574 1.8977 5.7030 2.3049 0.8765 0.6429 1.0785 0.3823 1.0472 0.7257 0.6114 0.8729 0.6506 0.6067 1.1466 1.0171 1.0638 0.9346 1.1972 0.3462 0.9829 0.3389 1.1479 sphingadienine 0.9195 0.8297 2.0504 2.2397 1.2857 0.8356 1.2912 1.5969 1.5467 1.4399 1.1933 1.8832 0.9780 0.6240 0.4923 0.8546 0.9132 0.6975 0.6757 0.9349 1.2252 1.2382 1.0220 0.5289 sphinganine 1.4642 2.3021 3.7351 2.7437 1.2927 1.1472 0.9751 2.3420 1.5280 1.1596 1.0759 2.3710 0.5540 0.4830 0.4227 0.7103 0.5458 1.0249 0.4105 0.6956 0.8003 0.7632 0.6343 0.5662 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0) 3.8494 5.5886 1.0000 2.2313 1.2635 2.2673 0.6566 0.9019 1.1256 0.8454 3.6730 1.0167 0.2685 0.2685 0.2685 0.2685 0.2685 0.5359 0.2685 0.5546 0.2685 0.3748 0.2922 0.2685 sphingomyelin (d18:1/14:0, d16:1/16:0) 1.1240 1.3289 2.1821 2.1144 2.0440 0.6680 1.4832 1.2950 0.6680 1.5525 0.8760 1.3392 0.7844 0.7936 0.6680 0.6903 0.6767 0.6680 0.6680 0.8258 0.7059 0.6680 0.7941 0.6680 sphingomyelin (d18:1/24:1, d18:2/24:0) 0.4860 0.4860 1.9225 1.0403 3.7145 0.6878 1.0760 1.2920 0.6581 0.9478 0.8228 0.5572 0.8637 0.8152 1.1024 1.0085 0.9915 0.6004 1.0903 0.9281 0.4860 1.1842 1.1005 1.0704 sphingosine 0.9801 2.5697 1.7351 1.9152 0.6973 1.4010 1.0096 1.4426 1.9537 1.6037 1.1522 2.3661 0.8882 0.3015 0.4613 0.9904 0.6605 1.5235 0.5436 0.7602 0.8089 1.2401 0.8227 0.7342 stachydrine 1.7992 0.4705 0.4984 42.6354 0.7455 6.2429 0.4702 1.0432 0.3720 0.4316 0.9895 8.3880 0.8652 1.0009 0.9650 0.7572 0.8997 2.0180 1.7582 2.9721 0.9991 1.1863 1.0216 2.0244 stachyose 0.0082 0.0082 0.0082 0.0082 0.0082 0.0082 0.0082 0.0082 0.0090 0.0082 0.0082 0.0082 1.0803 0.8673 0.9544 1.0438 1.0049 0.0082 0.9609 1.1652 1.0695 0.0082 1.1545 0.9951 stearidonate (18:4n3) 0.9987 0.6350 0.9489 0.9178 0.8869 1.0369 1.2785 0.5936 0.9820 1.1330 1.1852 1.5481 0.9193 1.2094 0.7887 1.0762 1.2485 1.0013 1.1244 0.7544 0.5667 1.1952 0.5380 1.1775 stearoylcarnitine (C18) 1.4833 2.0177 0.6631 1.0115 0.8777 1.7896 1.0876 1.1188 1.2938 1.0699 0.6203 1.3158 0.8994 0.7085 0.8832 0.8069 0.7080 1.2368 0.9885 1.3289 1.0494 0.8714 0.8604 0.6811 stearoyl-linoleoyl-glycerol (18:0/18:2) [2] 0.4499 0.1135 0.1419 0.1135 0.4205 0.6913 0.1459 0.4110 0.1135 0.2027 0.9042 0.5872 3.1120 2.6552 3.9988 2.7354 2.3551 0.9218 2.5835 3.8761 4.3002 1.0782 1.6699 1.5025 stigmasterol 1.2016 0.9213 0.4826 0.8212 1.0468 1.2812 0.5250 0.5915 0.9031 0.8477 0.8997 0.8450 0.9674 0.8814 1.0743 0.9376 1.1153 1.1845 1.0622 1.0686 1.0546 1.1451 1.0569 1.0326 suberate (C8-DC) 2.6653 2.6601 7.0499 3.0306 2.8132 1.2461 3.4312 3.6183 2.2205 3.9266 1.2932 1.8376 0.2669 0.3557 0.2555 0.4254 0.3604 0.5378 0.3043 0.2398 0.1285 0.6895 0.2498 0.7539 succinate 7.2332 6.2343 5.8698 4.5777 7.0549 6.7236 1.6245 2.1662 2.9198 3.6934 4.1774 1.9159 0.1048 0.1307 0.1203 0.1478 0.1986 0.3755 0.3646 0.2138 0.1545 0.2480 0.2129 0.3484 succinimide 1.4826 1.3997 1.0000 0.9037 5.4295 2.0966 3.2190 1.9426 2.0065 3.0846 5.0902 2.1437 0.3625 0.4616 0.3625 0.5264 0.3625 0.7748 0.5416 0.3625 0.6582 0.7611 0.5313 0.4092 succinylcarnitine (C4) 1.1236 1.6777 0.2647 1.0300 0.2647 1.0324 1.8259 0.2647 1.0636 0.7457 0.5861 0.9967 0.8513 0.7783 1.1246 1.0266 1.1508 0.9761 0.9034 1.3183 0.9330 0.9187 0.8716 1.0033 sucrose 0.1895 0.1426 0.2041 0.1280 0.2500 0.1117 0.1708 0.1713 0.1448 0.1322 0.0929 0.0821 4.4184 3.4838 3.7916 4.1116 4.4059 1.7500 4.2290 4.9074 4.1788 2.0249 4.2934 3.9633 sulfate 0.4025 3.7488 1.5143 4.3956 1.6300 1.0167 1.4563 0.4217 1.0056 1.3252 1.2715 1.6619 0.6181 0.7769 0.6781 0.5589 0.8064 0.7295 0.9944 1.2655 0.8861 0.7738 0.9262 1.0205 syringic acid 0.7664 0.7319 0.6087 3.4188 1.6474 1.6246 0.6087 0.7824 0.9160 0.6087 0.6087 0.6087 0.9556 0.9830 0.6971 1.1945 1.1874 4.1354 1.0170 2.6332 0.9401 4.6289 0.9339 1.5947 tartronate (hydroxymalonate) 0.1563 0.1563 0.1803 3.1703 0.1563 0.3059 0.2257 0.1563 0.1563 0.3277 0.2287 0.2747 1.2750 1.3158 1.0225 1.3012 1.1235 1.4780 1.2008 1.3963 0.9775 0.9013 0.9735 1.8537 taurine 16.8181 12.5309 1.0499 26.6962 11.6618 11.7040 4.8753 0.3416 6.2295 0.5102 23.9660 12.9457 0.3828 0.4400 0.4469 0.3044 0.4761 1.8426 0.4240 0.9501 0.4443 1.4007 0.4854 0.6544 tauro-beta-muricholate 0.1039 0.0315 0.0741 0.0658 0.1683 0.2683 0.2383 0.0053 0.4945 0.2448 0.3321 0.1812 2.1301 1.6763 2.9868 1.5055 1.6482 2.6361 3.2876 1.5312 2.2839 4.7080 1.5340 1.5644 taurochenodeoxycholate 0.3492 0.1461 0.3000 0.1238 0.6502 0.8549 0.5670 0.1238 0.6653 0.7807 0.6278 0.5980 2.6638 2.7992 2.2857 1.6538 1.0000 2.2634 4.1970 1.2727 2.5491 6.3709 2.1345 1.7059 taurochenodeoxycholic acid 7-sulfate 0.0092 0.0092 0.1138 1.5837 0.7300 1.3983 1.1162 0.0092 1.8516 0.0092 0.7338 0.4459 0.9589 1.0426 0.8714 1.4412 1.6393 1.4631 0.8901 0.9020 0.5682 1.0000 1.0721 1.3780 taurocholate 0.1692 0.1004 0.1650 0.0706 0.2566 0.3348 0.4053 0.0488 0.4731 0.6561 0.2960 0.3868 1.8856 1.7505 2.5829 1.4762 1.4206 2.5311 2.9748 1.3746 2.6003 4.3044 1.5239 1.3439 taurocholenate sulfate 0.2395 0.1337 0.1337 0.2530 0.4900 1.4713 0.6799 0.1337 0.1337 0.1337 0.7131 0.3041 3.2411 1.4368 1.8700 0.8923 1.3189 1.1696 1.9769 1.1077 1.3782 1.4685 0.8800 0.8540 taurodeoxycholate 0.9375 1.0625 0.1730 0.1036 0.2638 0.4190 1.2170 0.0851 4.5522 2.2199 1.6942 2.1010 0.0851 0.0851 0.0851 0.0851 0.0851 0.0851 0.0851 0.0851 0.0851 0.0851 0.0851 0.0851 taurohyodeoxycholic acid 1.8355 0.9740 1.4163 0.8920 1.9877 1.9321 5.7876 0.2787 12.8381 9.5667 5.9411 10.6320 0.5644 0.4684 1.0091 0.5411 0.4108 1.4101 0.8203 0.2682 0.3518 0.9909 0.2682 0.2682 taurolithocholate 0.8098 0.1779 0.1779 0.1779 0.1779 0.1779 0.5873 0.1779 3.5531 0.1779 1.1902 1.7378 0.1779 0.1779 0.1779 0.1779 0.1779 0.1779 0.1779 0.1779 0.1779 0.1779 0.1779 0.1779 tauroursodeoxycholate 0.1789 0.1130 0.1668 0.0609 0.4049 0.6341 0.3823 0.0609 0.4589 0.6586 0.5520 0.3084 1.6345 1.6794 1.7229 1.3265 1.2061 1.9251 2.6168 1.0000 1.5555 3.2610 1.2794 1.2827 tetradecanedioate (C14) 0.9599 2.3039 2.6182 2.7860 3.9849 1.1365 1.7530 3.4307 1.0607 1.8489 1.0401 1.5996 0.6129 0.7782 0.4431 0.4743 0.5232 0.6234 0.3900 0.6679 0.3679 0.8871 0.3679 0.3679 thiamin (Vitamin B1) 1.1074 0.4433 2.0734 1.4549 1.3771 1.8068 1.1519 1.4320 0.5687 0.5866 1.0010 0.9590 1.1834 0.7338 0.5859 0.6028 0.5386 0.5244 1.2352 0.9990 1.5553 0.8066 1.0015 0.4638 thiamin monophosphate 0.1285 1.0637 2.6245 1.4098 1.4258 0.1285 0.4440 1.0000 0.1285 0.4370 0.1285 0.6115 0.1285 0.1285 0.1285 0.1285 0.1285 0.1285 0.1285 0.1285 0.1285 0.1285 0.1285 0.1285 thioproline 0.6920 0.6759 3.1472 2.6137 1.2940 1.3663 0.5329 0.7862 0.4505 0.5201 0.6714 0.7976 1.0294 1.1776 1.1164 0.8582 1.0016 2.0447 0.9984 1.6081 0.7251 1.9328 0.5545 1.2003 threonate 0.0574 0.0818 0.0965 2.2103 0.0412 0.1110 0.0480 0.0250 0.0241 0.0465 0.0358 0.2154 1.1736 1.1696 0.9961 1.6393 1.4035 1.1287 1.2884 1.9182 1.0039 1.2150 1.8352 2.1435 threonine 0.1859 0.3162 1.2871 0.8303 1.0221 0.6530 0.6631 0.4688 0.4276 0.9779 0.4691 0.4547 1.2879 1.1152 0.7397 1.1526 0.9725 1.0365 1.4209 1.3011 1.9290 1.1383 1.8998 1.6322 threonylphenylalanine 1.6191 1.0117 17.4130 5.9692 6.9062 1.2243 2.6683 1.9176 1.5068 2.9937 4.2216 2.0555 0.6903 0.7804 0.5233 0.5680 0.6513 0.5619 0.9883 0.7415 0.6997 0.6737 0.9010 0.6771 thymidine 1.9197 0.8059 0.5604 1.2979 0.9580 0.4312 0.6024 1.4077 0.4050 0.7672 0.6459 1.1300 1.3111 1.0811 1.4639 0.9524 1.1975 0.3232 1.2050 0.2168 1.4622 0.4115 1.4174 1.0420 TMP 1.9484 0.3276 0.7217 0.5720 1.2131 0.2584 0.8130 3.7571 0.5407 1.3640 1.1870 1.9665 0.2584 0.2584 0.2584 0.2584 0.2584 0.2584 0.2584 0.2584 0.2584 0.2584 0.2584 0.2584 thymine 1.5949 1.4207 3.6741 2.9222 3.9764 1.8535 1.0000 5.0063 0.2278 0.7033 0.3638 2.2639 0.0322 0.0322 0.0322 0.0322 0.0322 0.3876 0.0361 0.3217 0.0322 0.7431 0.0322 0.0322 hydroxyproline 0.2958 0.3798 1.1437 0.3870 0.8818 0.7255 0.1953 0.4492 0.0832 0.2721 0.2910 0.3614 1.3642 1.3924 1.0975 1.5016 1.7476 2.6638 1.3351 1.3943 1.0119 2.8659 0.9881 1.6576 trans-urocanate 0.7061 1.9776 3.6817 2.1172 2.8985 0.9508 1.5704 1.8032 0.9501 2.3891 0.7296 1.4162 0.8931 0.7949 0.4457 0.8515 0.8740 1.0492 1.1921 0.8787 0.8389 1.3525 0.8644 1.2355 tricarballylate 1.1738 0.9121 3.0379 8.9616 2.5582 0.7905 1.6134 3.1328 1.0879 1.2326 1.6185 2.3595 0.0938 0.0938 0.1478 0.5752 0.5065 0.1495 0.6356 0.0938 0.0938 0.5834 0.0938 0.1635 trigonelline (N'-methylnicotinate) 0.5851 0.6648 0.4694 43.0521 0.3806 5.9043 0.5046 0.3945 0.3933 0.3742 0.4001 11.4108 1.0292 1.1567 1.2213 0.8696 0.9708 2.1199 1.6316 3.3120 0.8715 1.3965 1.0712 2.3310 trimethylamine N-oxide 0.8749 0.4200 0.9857 28.9978 1.6301 22.6176 2.2724 4.1805 1.5259 0.6534 1.7350 26.9590 0.7906 0.8548 1.0143 0.1522 0.1522 0.1522 0.9095 0.1522 1.0387 0.1522 0.1827 0.5284 tryptamine 6.3955 1.2935 14.4292 6.0210 16.4504 5.6178 0.0336 0.7065 0.0362 0.0220 0.0771 0.0601 0.0220 0.0220 0.0220 0.0220 0.0220 0.0220 0.0220 0.0220 0.0220 0.0220 0.0220 0.0220 tryptophan 0.4408 0.3286 1.9058 1.7223 1.3845 1.3489 1.1742 0.3783 0.9838 1.7218 1.0162 0.7547 0.9281 1.2577 0.8457 0.7799 0.5688 0.9587 1.4207 0.9710 1.4015 1.3823 1.2307 0.9780 tryptophylglycine 0.5165 0.4601 4.2470 1.4810 2.6087 1.0304 1.3888 0.7617 0.9647 1.0939 1.1156 0.9518 1.2314 0.9156 0.7013 0.8969 0.7492 0.7197 1.2078 1.4761 1.5869 0.8407 1.8425 0.9696 tyramine 3.4944 1.9337 3.1012 4.7522 2.5030 1.6577 1.9786 1.6977 1.2099 1.1880 6.6138 2.9534 0.5159 0.3993 0.4233 0.4622 0.4592 0.5068 0.4804 0.4263 0.4519 0.8120 0.4444 0.3136 tyrosine 0.7353 0.6571 5.4083 2.8798 3.4706 1.9584 1.9891 0.6855 1.4259 2.3224 1.5330 1.2896 0.7627 0.9108 0.7451 0.6043 0.4751 1.2479 1.0524 0.7629 1.2312 0.9213 0.9476 0.7803 tyrosol 1.0465 1.6553 1.5746 1.9951 0.8269 0.6600 0.9535 1.1351 0.8200 0.9302 0.8564 1.2630 0.6600 0.6600 0.6600 0.6600 0.6600 0.6600 0.6600 0.6600 0.6600 0.6600 0.6600 0.6600 tyrosylglycine 0.2461 0.2840 4.8192 0.7438 4.2126 1.1093 1.4569 0.7020 0.8873 1.7511 0.5490 0.5280 1.0520 1.2169 0.6513 0.8327 0.7785 1.2917 1.4415 1.1355 1.1424 1.4045 0.8928 0.9480 undecanedioate (C11-DC) 5.8397 7.7126 12.5905 4.1550 8.8535 1.2276 3.7788 7.4725 2.3162 6.6839 2.8166 4.2411 0.5693 0.6969 0.4668 0.6036 0.4929 0.7138 0.5300 0.6474 0.4551 0.7724 0.6052 0.7643 uracil 1.6804 5.8689 16.9467 7.0606 13.6714 2.8080 3.6905 11.8504 0.9542 3.4041 1.0621 5.3825 0.0973 0.1331 0.1526 0.0962 0.0944 1.0458 0.1517 0.8188 0.1494 0.5185 0.0925 0.1338 urate 0.5369 0.3479 0.3319 4.0585 0.4604 0.7229 0.2211 0.6398 0.3108 0.2475 0.1775 2.2759 1.6268 1.4076 1.3664 1.4458 1.8089 1.2405 1.5667 0.3673 1.7457 0.7595 1.8898 1.6148 urea 0.0126 0.0126 0.0126 14.4249 0.0126 0.0320 0.0126 0.0126 0.0126 0.0126 0.0126 0.0175 0.7931 1.0207 0.7385 0.8447 0.8177 1.2045 1.1897 1.6125 0.9793 1.0318 1.1369 1.2248 uridine 0.7502 0.7052 1.8967 1.3463 1.6833 0.9966 1.0034 1.0308 0.9729 1.2868 1.1734 0.9934 0.8127 0.8157 1.2214 0.9053 1.0865 0.2123 1.1179 0.0882 1.0659 0.2435 1.0195 0.7082 uridine 3'-monophosphate (3'-UMP) 0.2245 0.5294 31.4353 0.2245 24.0510 0.6249 0.5085 1.9517 0.2245 1.0000 0.2245 1.0700 0.2245 0.2245 0.2245 0.2245 0.2245 0.2245 0.2245 0.2245 0.2245 0.2245 0.2245 0.2245 UMP 1.1023 0.5585 0.8002 1.0000 0.8854 0.5585 1.2551 1.0301 0.7923 1.4467 1.6429 0.9504 0.5585 0.5585 0.5585 0.5585 0.5585 0.5585 0.5585 0.5585 0.5585 0.5585 0.5585 0.5585 uridine-2',3'-cyclic monophosphate 0.3880 0.2381 69.6200 21.6217 37.9040 1.0000 0.2220 1.0066 0.2220 0.2220 0.2220 0.8428 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 ursocholate 1.3942 2.1363 0.3625 0.3459 1.2462 0.5047 0.2033 1.2403 0.7597 1.5783 1.3368 0.4445 0.2033 0.2033 0.2033 0.2033 0.2033 0.2033 0.2033 0.2033 0.2033 0.2033 0.2033 0.2033 valerate (5:0) 5.6846 14.3195 15.1362 1.6690 19.5449 0.3934 2.2192 4.3644 1.3178 4.6727 5.4909 0.6822 0.2761 0.3428 0.3395 0.4115 0.2552 0.1624 0.2646 0.1624 0.1624 0.2900 0.1624 0.1624 valine 0.3442 0.4028 2.3770 1.9290 2.1774 1.5312 1.6985 0.3078 0.9981 1.9700 1.0637 1.0019 0.8407 1.1241 0.7601 0.7144 0.5388 0.8979 1.3535 0.8354 1.3148 1.1364 0.8764 0.9405 valine betaine 0.1535 0.0112 0.0112 0.1803 0.0621 0.2882 0.0196 0.0322 0.0112 0.0112 0.0535 0.1132 1.3673 1.1947 0.9878 1.3188 1.0000 1.3238 1.2323 1.5213 1.3522 1.6669 1.8065 1.2894 valylglutamine 0.5855 0.5360 9.7518 4.1113 4.7409 1.7791 2.3143 1.5102 1.7102 5.2257 1.8745 1.3533 0.7535 0.6294 0.4235 0.7256 0.6200 0.6248 0.9557 1.0173 1.0765 0.7257 0.9827 0.4736 valylglycine 1.0000 0.9689 10.9355 7.2099 8.5159 4.0823 5.7344 2.9578 3.5462 8.7255 2.8201 4.0607 0.5728 0.5350 0.2279 0.4743 0.2279 0.4667 0.5275 0.9184 1.0458 0.9913 0.8266 0.4793 valylleucine 1.3766 1.0149 19.5277 7.5722 10.2415 1.7433 4.2669 2.5263 1.7377 4.1340 2.8557 1.4288 0.7606 0.5754 0.5403 0.5727 0.5708 0.5326 0.7672 0.7087 0.9382 0.5724 0.9851 0.4319 vanillate 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 0.6725 1.1390 0.8910 0.9338 1.1563 1.1116 0.6725 1.3493 0.7982 1.0000 0.6725 1.4481 0.6884 vanillic alcohol sulfate 0.4271 0.4271 0.4271 3.4618 0.4271 0.4271 0.4271 0.4271 0.4271 0.4271 0.4271 0.4271 0.6980 0.4647 0.4471 1.6135 1.0570 0.4271 0.6715 1.1191 0.9630 0.4271 1.0370 4.1826 vanillin sulfate 0.5563 0.5563 0.5563 0.5563 0.5563 0.5563 0.5563 0.5563 0.5563 0.5563 0.5563 0.5563 0.9551 0.7498 0.5563 1.4139 1.1537 0.5563 0.9910 1.4126 0.9595 0.5563 1.0090 1.7946 xanthine 0.7551 1.6762 2.8641 1.6794 2.0456 0.9067 0.8385 1.5350 0.4813 0.5746 0.6843 1.8916 0.9928 1.0247 1.4853 0.9565 1.4273 0.3803 1.0072 0.5733 1.0174 0.2225 1.2063 0.9413 xanthosine 0.0788 0.6226 5.4227 1.7551 4.0373 0.4300 0.2417 1.4141 0.0858 0.3829 0.0788 0.8699 1.0000 0.8939 1.5019 1.0341 1.4428 0.0788 1.2038 0.0788 1.3227 0.0875 1.1431 0.7794 xanthurenate 3.7906 3.4505 0.1513 58.3252 0.1513 3.1077 0.9020 0.1513 2.5347 1.0492 2.6802 4.0181 0.2686 0.2115 0.1513 0.3136 0.1513 7.3114 0.3503 0.5938 0.3864 3.9329 0.2025 0.9508 xylose 1.0824 1.0689 1.6800 1.5175 2.1967 0.9355 0.5636 1.1291 0.2312 0.6504 1.0000 0.9843 0.0980 0.0980 0.0980 0.0980 0.0980 0.0980 0.0980 0.0980 0.0980 0.0980 0.0980 0.0980 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem ID KEGG ID (12 or 13)-methylmyristate (a15:0 or i15:0) 151014 (14 or 15)-methylpalmitate (a17:0 or i17:0) 17903417 (16 or 17)-methylstearate (a19:0 or i19:0) 3083779 (3'-5')-adenylyluridine 112074 (3'-5')-cytidylyladenosine 91519 (3'-5')-cytidylylcytidine 94237 (3'-5')-cytidylylguanosine 65101 (3'-5')-cytidylyluridine (3'-5')-guanylylcytidine 107595 (3'-5')-guanylyluridine (3'-5')-uridylylcytidine (3'-5')-uridylylguanosine 107394 (3'-5')-uridylyluridine 102258 (N(1) + N(8))-acetylspermidine 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1) 1-(1-enyl-oleoyl)-GPE (P-18:1) 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4) 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4) 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2) 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2) 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1) 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1) 1-(1-enyl-palmitoyl)-GPC (P-16:0) 10917802 1-(1-enyl-palmitoyl)-GPE (P-16:0) 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4) 9547058 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 1-(1-enyl-stearoyl)-GPE (P-18:0) 1-(3-aminopropyl)-2-pyrrolidone 82111 1,1-kestotetraose 166775 1,2,3-benzenetriol sulfate (2) 1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3) 1,2-dilinolenoyl-galactosylglycerol (18:3/18:3) 5282287 C13871 1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2) 1,2-dilinoleoyl-galactosylglycerol (18:2/18:2) 6535011 1,2-dilinoleoyl-GPC (18:2/18:2) 5288075 1,2-dilinoleoyl-GPE (18:2/18:2) 9546812 1,2-dipalmitoyl-GPC (16:0/16:0) 452110 1,5-anhydroglucitol (1,5-AG) 64960 C07326 10-heptadecenoate (17:1n7) 5312435 10-hydroxystearate 9561835 10-nonadecenoate (19:1n9) 5312513 12(13)-EpOME 5283014 C14826 12,13-DiHOME 10236635 C14829 12-dehydrocholate 94235 13-HODE + 9-HODE 43013 16-hydroxypalmitate 10466 C18218 1-arachidonylglycerol (20:4) 5282281 C13857 1-carboxyethylphenylalanine 1-carboxyethylvaline 1-cerotoyl-GPC (26:0) 1-dihomo-linolenylglycerol (20:3) 1-dihomo-linoleoylglycerol (20:2) 1-docosahexaenoylglycerol (22:6) 1-eicosapentaenoylglycerol (20:5) 1-heptadecenoylglycerol (17:1) 1-kestose 440080 C03661 1-lignoceroyl-GPC (24:0) 1-linolenoylglycerol (18:3) 53480978 1-linolenoyl-GPC (18:3) 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6) 1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3) 1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3) 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3) 1-linoleoyl-galactosylglycerol (18:2) 5320254 1-linoleoylglycerol (18:2) 5283469 1-linoleoyl-GPC (18:2) 11988421 C04100 1-linoleoyl-GPE (18:2) 52925130 1-linoleoyl-GPG (18:2) 1-linoleoyl-GPI (18:2) 1-margaroylglycerol (17:0) 107036 1-methyl-4-imidazoleacetate 75810 C05828 1-methyladenine 78821 C02216 1-methylguanidine 10111 C02294 1-methylhistamine 3614 C05127 1-methylnicotinamide 10129985 C02918 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 129657 1-myristoylglycerol (14:0) 79050 C01885 1-oleoyl-2-linoleoyl-GPC (18:1/18:2) 1-oleoyl-2-linoleoyl-GPE (18:1/18:2) 9546753 1-oleoylglycerol (18:1) 5283468 1-oleoyl-GPC (18:1) 16081932 1-oleoyl-GPE (18:1) 9547071 1-oleoyl-GPG (18:1) 1-oleoyl-GPI (18:1) 1-palmitoleoylglycerol (16:1) 1-palmitoleoyl-GPC (16:1) 24779461 1-palmitoyl-2-alpha-linolenoyl-GPC (16:0/18:3n3) 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 10747814 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4) 9546800 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 6441886 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6) 9546799 1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3) 1-palmitoyl-2-linolenoyl-galactosylglycerol (16:0/18:3) 1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2) 1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2) 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 5287971 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 9546747 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 6436017 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 5283496 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1) 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 1-palmitoyl-digalactosylglycerol (16:0) 1-palmitoyl-galactosylglycerol (16:0) 10413348 1-palmitoylglycerol (16:0) 14900 1-palmitoyl-GPA (16:0) 6419701 C04036 1-palmitoyl-GPC (16:0) 86554 1-palmitoyl-GPE (16:0) 9547069 1-palmitoyl-GPG (16:0) 3300276 1-palmitoyl-GPI (16:0) 1-pentadecanoylglycerol (15:0) 190750 1-ribosyl-imidazoleacetate 5117448 C05131 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 16219824 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 5289133 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6) 9546798 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 1-stearoyl-GPC (18:0) 497299 1-stearoyl-GPE (18:0) 9547068 1-stearoyl-GPG (18:0) 1-stearoyl-GPI (18:0) 1-stearoyl-GPS (18:0) 9547101 2,3-dihydroxyisovalerate 677 C04039 2,4,6-trihydroxybenzoate 66520 2,8-quinolinediol 97250 C06342 2,8-quinolinediol sulfate 2-acetamidophenol sulfate 181671 2-aminoadipate 469 C00956 2-amino-p-cresol sulfate 2-aminophenol sulfate 181670 2'-deoxyadenosine 13730 C00559 2'-deoxycytidine 13711 C00881 2'-deoxyguanosine 187790 C00330 2'-deoxyinosine 65058 C05512 2'-deoxyuridine 13712 C00526 2-docosahexaenoylglycerol (22:6) 2-eicosapentaenoylglycerol (20:5) 11660820 2-hydroxy-3-methylvalerate 164623 2-hydroxyadipate 193530 C02360 2-hydroxyarachidate 5225199 2-hydroxybehenate 193484 2-hydroxybutyrate/2-hydroxyisobutyrate 2-hydroxydecanoate 21488 2-hydroxyglutarate 43 C02630 2-hydroxyheptanoate 2750949 2-hydroxyhippurate (salicylurate) 10253 C07588 2-hydroxylignocerate 102430 C17873 2-hydroxypalmitate 92836 2-hydroxyphenylacetate 11970 C05852 2-hydroxyquinoline 6038 C06415 2-hydroxystearate 69417 C03045 2-isopropylmalate 77 C02504 2-keto-3-deoxy-gluconate 161227 C00204 2-linoleoylglycerol (18:2) 5365676 2-methylbutyrylcarnitine (C5) 6426901 2-methylbutyrylglycine (C5) 193872 2-methylcitrate/homocitrate 2-myristoylglycerol (14:0) 137938 2-oleoylglycerol (18:1) 5319879 2'-O-methylcytidine 150971 2'-O-methyluridine 102212 2-oxindole-3-acetate 3080590 2-oxoadipate 71 C00322 2-oxoarginine 558 C03771 2-palmitoleoylglycerol (16:1) 2-palmitoyl-galactosylglycerol (16:0) 2-palmitoylglycerol (16:0) 123409 2-palmitoyl-GPC (16:0) 15061532 2-stearoyl-GPE (18:0) 3-(3-hydroxyphenyl)propionate 91 C11457 3-(3-hydroxyphenyl)propionate sulfate 187488 3-(4-hydroxyphenyl)lactate (HPLA) 9378 C03672 3-(4-hydroxyphenyl)propionate 10394 C01744 3,4-methylene heptanoylglycine 3,5-dihydroxybenzoic acid 7424 3-acetylphenol sulfate 3-aminoisobutyrate 64956 C05145 3b-hydroxy-5-cholenoic acid 92997 3-dehydrocholate 159655 3-dehydroshikimate 80 C02637 3-deoxyoctulosonate 4636210 3-hydroxy-3-methylglutarate 1662 C03761 3-hydroxyadipate 151913 3-hydroxyarachidate 5282918 3-hydroxybehenate 5282921 3-hydroxybutyrate (BHBA) 441 C01089 3-hydroxybutyrylcarnitine (2) 3-hydroxyhexanoate 151492 3-hydroxypalmitate 301590 3-hydroxyphenylacetate 12122 C05593 3-hydroxypyridine sulfate 3-hydroxysebacate 3017884 3-hydroxysuberate 22328017 3-indoxyl sulfate 10258 3-ketosphinganine 631 C02934 3-methyl-2-oxobutyrate 49 C00141 3-methyl-2-oxovalerate 47 C00671 3-methyladipate 12292 3-methylglutaconate 1551553 3-phenylpropionate (hydrocinnamate) 107 C05629 3-sulfo-L-alanine 72886 C00506 3-ureidoisobutyrate 160663 C05100 3-ureidopropionate 111 C02642 4-acetamidobutanoate 18189 C02946 4-acetylphenyl sulfate 4684006 4-cholesten-3-one 91477 C00599 4-ethylphenyl sulfate C13637 4-guanidinobutanoate 500 C01035 4-hydroxycinnamate 637542 C00811 4-hydroxycinnamate sulfate 6070438 4-hydroxyhippurate 151012 4-hydroxymandelate 328 C03198 4-hydroxyphenylacetate 127 C00642 4-hydroxyphenylpyruvate 979 C01179 4-imidazoleacetate 96215 C02835 4-methyl-2-oxopentanoate 70 C00233 4-methylcatechol sulfate 4-methylthio-2-oxobutanoate 473 C01180 4-vinylphenol sulfate 6426766 C05627 5-(2-Hydroxyethyl)-4-methylthiazole 1136 C04294 5,6-dihydrouridine 94312 5-aminovalerate 138 C00431 5-dodecenoylcarnitine (C12:1) 5-hydroxyhexanoate 170748 5-hydroxyindoleacetate 1826 C05635 5-hydroxylysine 1029 C16741 5-methyl-2'-deoxycytidine 440055 C03592 5-methylcytidine 92918 5-methylcytosine 65040 C02376 5-methylthioadenosine (MTA) 439176 C00170 5-methyluridine (ribothymidine) 445408 5-oxoproline 7405 C01879 6-beta-hydroxylithocholate 5283821 C15515 6-hydroxynicotinate 72924 C01020 6-oxolithocholate 164960 6-oxopiperidine-2-carboxylate 3014237 7-HOCA 3081085 C17337 7-hydroxycholesterol (alpha or beta) 107722 7-ketodeoxycholate 188292 7-ketolithocholate 444262 7-methylguanine 11361 C02242 9,10-DiHOME 9966640 C14828 acetylcarnitine (C2) 1 C02571 aconitate [cis or trans] adenine 190 C00147 adenosine 60961 C00212 3'-AMP 41211 C01367 AMP 6083 C00020 adenosine-2',3'-cyclic monophosphate 2024 C02353 adipate 196 C06104 adipoylcarnitine (C6-DC) 71296139 adrenate (22:4n6) 5497181 C16527 afromosin 5281704 C10199 agmatine 199 C00179 alanine 5950 C00041 alanylleucine 259583 allantoic acid 203 C00499 allantoin 204 C02350 allo-threonine 99289 C05519 alpha-hydroxyisocaproate 83697 C03264 alpha-hydroxyisovalerate 99823 alpha-ketoglutaramate alpha-ketoglutarate 51 C00026 alpha-muricholate 3083761 C17647 alpha-tocopherol 14985 C02477 alpha-tocopherol acetate 2117 C13202 alpha-tocotrienol 5282347 C14153 anserine 112072 C01262 anthranilate 227 C00108 apigenin 5280443 C01477 apigenin 7-O(6-malonyl-beta-D-glucoside) 5281602 C10020 arabinose 66308 C00216 arabitol/xylitol 6912 C01904 arabonate/xylonate arachidate (20:0) 10467 C06425 arachidonate (20:4n6) 444899 C00219 arachidonoyl ethanolamide 5281969 C11695 arachidonoylcarnitine (C20:4) arachidoylcarnitine (C20) argininate 160437 arginine 232 C00062 asparagine 6267 C00152 aspartate 5960 C00049 azelate (nonanedioate; C9) 2266 C08261 behenoyl ethanolamide (22:0) 3023585 benzoate 243 C00180 beta-alanine 239 C00099 beta-citrylglutamate 72715786 C20775 beta-cryptoxanthin 6384256 beta-guanidinopropanoate 67701 C03065 beta-hydroxyisovalerate 69362 betaine 247 C00719 beta-muricholate 5283853 C17726 beta-sitosterol 222284 C01753 betonicine 164642 C08269 bilirubin (E,E) 5315454 bilirubin 5280352 C00486 biliverdin 5353439 C00500 biopterin 445040 C06313 biotin 171548 C00120 butyrylglycine (C4) 88412 caffeic acid sulfate campesterol 173183 C01789 caproate (6:0) 8892 C01585 caprylate (8:0) 379 C06423 carboxyethyl-GABA 2572 carnitine 10917 C00318 carotene diol (1) carotene diol (2) carotene diol (3) catechol sulfate 3083879 ceramide (d18:1/14:0, d16:1/16:0) ceramide (d18:1/17:0, d17:1/18:0) ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0) ceramide (d18:2/24:1, d18:1/24:2) chiro-inositol C19891 cholate 221493 C00695 cholesterol 11025495 C00187 choline 305 C00114 phosphocholine 1014 C00588 chrysoeriol 5280666 C04293 citrate 311 C00158 citrulline 9750 C00327 creatine 586 C00300 creatinine 588 C00791 cystathionine 439258 C02291 cysteine 5862 C00097 cysteine s-sulfate 115015 C05824 cysteine sulfinic acid 109 C00606 cysteinylglycine 439498 C01419 cystine 67678 C00491 cytidine 6175 C00475 cytidine 2' or 3'-monophosphate (2' or 3'-CMP) CMP 6131 C00055 cytosine 597 C00380 daidzein 5281708 C10208 daidzein 7-O-glucuronide 11316354 daidzein sulfate (1) daidzein sulfate (2) daidzin 107971 C10216 decanoylcarnitine (C10) 10245190 dehydrolithocholate 159623 delta-tocopherol 92094 C14151 deoxycarnitine 134 C01181 deoxycholate 222528 C04483 diacetylchitobiose 439544 C01674 diacetylspermidine diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1]) diaminopimelate 439283 C00666 digalactosylglycerol dihomolinoleate (20:2n6) 6439848 C16525 dihomolinolenate (20:3n3 or 3n6) 5280581 C03242 dihomo-linolenoylcarnitine (C20:3n3 or 6) dihomo-linoleoylcarnitine (C20:2) dihydrobiopterin 1879 C00268 dihydrocaffeate 348154 C10447 dihydroferulate 14340 dihydroorotate 648 C00337 dimethylarginine (ADMA + SDMA) 123831 C03626 dimethylglycine 673 C01026 diosmetin 5281612 C10038 docosadienoate (22:2n6) 5282807 C16533 docosadioate (C22-DC) 244872 C19625 docosahexaenoate (DHA; 22:6n3) 445580 C06429 docosahexaenoylcarnitine (C22:6) docosapentaenoate (DPA; 22:5n3) 6441454 C16513 docosapentaenoate (n6 DPA; 22:5n6) 6441454 C16513 docosatrienoate (22:3n6) dodecanedioate (C12) 12736 C02678 dodecenedioate (C12:1-DC) D-urobilin 6276321 C05795 ectoine 126041 C06231 eicosanoylsphingosine (d20:1) eicosapentaenoate (EPA; 20:5n3) 446284 C06428 eicosenoate (20:1n9 or 1n11) 5282768 C16526 eicosenoylcarnitine (C20:1) enterodiol 123725 enterolactone 10685477 equol 91469 C14131 equol sulfate ergosterol 444679 C01694 ergothioneine 3032311 C05570 erucate (22:1n9) 5281116 C08316 erythritol 222285 C00503 erythronate 2781043 erythrose 94176 C01796 ethyl glucuronide 152226 ethylmalonate 11756 ferulate 445858 C01494 ferulic acid 4-sulfate 6305574 feruloylputrescine 5281796 C10497 ferulylglycine (1) ferulylglycine (2) formiminoglutamate 439233 C00439 formononetin 5280378 C00858 fructose 5984 C00095 fucitol 3429 fucose 19466 C01018 fumarate 444972 C00122 galactinol 439451 C01235 galactonate 128869 C00880 galactosylglycerol 16048618 C05401 gamma-glutamyl-alpha-lysine 65254 gamma-glutamyl-epsilon-lysine 7015685 gamma-glutamylglutamine 150914 C05283 gamma-glutamylglycine 165527 gamma-glutamylhistidine 7017195 gamma-glutamylisoleucine 14253342 gamma-glutamylleucine 151023 gamma-glutamylmethionine 7009567 gamma-glutamylphenylalanine 111299 gamma-glutamylthreonine 76078708 gamma-glutamyltryptophan 3989307 gamma-glutamyltyrosine 94340 gamma-tocopherol/beta-tocopherol gamma-tocotrienol 5282349 C14155 genistein 5280961 C06563 genistein sulfate gentisate 3469 C00628 gluconate 10690 C00257 glucose 79025 C00031 glucuronate 444791 C00191 glutamate 611 C00025 glutamate, gamma-methyl ester 68662 glutamine 5961 C00064 glutaminylleucine glutarate (C5-DC) 743 C00489 glutaroylcarnitine (C5) 71464488 glycerate 752 C00258 glycerol 753 C00116 glycerol 3-phosphate 754 C00093 glycerophosphoethanolamine 123874 C01233 glycerophosphoglycerol 439964 C03274 glycerophosphoinositol 167572 glycerophosphorylcholine (GPC) 71920 C00670 glycerophosphoserine 3081457 glycine 750 C00037 glycitein 5317750 C14536 glyco-beta-muricholate glycocholate 10140 C01921 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) glycylisoleucine 88079 glycylleucine 92843 C02155 glycylvaline 97417 guanidinoacetate 763 C00581 guanine 764 C00242 guanosine 6802 C00387 guanosine-2',3'-cyclic monophosphate 92823 C06194 gulonate 9794176 C00257 heneicosapentaenoate (21:5n3) 11998573 heptadecasphingosine (d17:1) 5283557 heptanoate (7:0) 8094 C17714 hexadecadienoate (16:2n6) hexadecanedioate (C16) 10459 C19615 hexadecasphinganine (d16:0) 656816 C13915 hexadecasphingosine (d16:1) hexadecatrienoate (16:3n3) 5312428 hexadecenedioate (C16:1-DC) hexanoylcarnitine (C6) 6426853 hexanoylglycine (C6) 99463 hippurate 464 C01586 histamine 774 C00388 histidine 6274 C00135 histidine betaine (hercynine) 3083620 histidylalanine 351667 homocitrulline 65072 C02427 homostachydrine 441447 C08283 hydroxymethylpyrimidine 777 C01279 hyocholate 92805 C17649 hypotaurine 107812 C00519 hypoxanthine 790 C00262 imidazole lactate 440129 C05568 imidazole propionate 70630 indole 798 C00463 indole-3-carboxylate 69867 C19837 indoleacetate 802 C00954 indoleacetylglycine 446640 indolelactate 92904 C02043 indolepropionate 3744 indolepropionylglycine 7677842 indolin-2-one 321710 C12312 inosine 6021 C00294 isobutyrylglycine (C4) 10855600 isohyodeoxycholate 5283822 isoleucine 6306 C00407 isoleucylglycine 342532 isovalerate (C5) 10430 C08262 isovalerylcarnitine (C5) 6426851 isovalerylglycine 546304 I-urobilinogen 26818 C05790 kynurenate 3845 C01717 lactate 612 C00186 laurylcarnitine (C12) 10427569 leucine 6106 C00123 leucylalanine 259321 leucylglutamine 4305457 leucylglycine 79070 lignoceroyl ethanolamide (24:0) linoleate (18:2n6) 5280450 C01595 linolenate (18:3n3 or 3n6) 5280934 C06426 linolenoylcarnitine (C18:3) linolenoyl-linolenoyl-glycerol (18:3/18:3) [1] linolenoyl-linolenoyl-glycerol (18:3/18:3) [2] linoleoyl ethanolamide 5283446 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2] linoleoylcarnitine (C18:2) 6450015 linoleoylcholine linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1] linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2] linoleoyl-linolenoyl-glycerol (18:2/18:3) [1] linoleoyl-linolenoyl-glycerol (18:2/18:3) [2] linoleoyl-linoleoyl-glycerol (18:2/18:2) [1] linoleoyl-linoleoyl-glycerol (18:2/18:2) [2] lithocholate 9903 C03990 lysine 5962 C00047 lysylleucine 4682588 malate 525 C00149 maleate 444266 C01384 malonate 867 C00383 malonylcarnitine 22833583 mannitol/sorbitol 5780 C00794 mannose 18950 C00159 margarate (17:0) 10465 margaroyl ethanolamide margaroylcarnitine (C17) mead acid (20:3n9) 5312531 methionine 6137 C00073 methionine sulfone 69961 methionine sulfoxide 158980 C02989 methylmalonate (MMA) 487 C02170 methylphosphate 13130 methylsuccinate 10349 mevalonate 439230 C02104 myo-inositol 892 C00137 myristate (14:0) 11005 C06424 myristoleate (14:1n5) 5281119 C08322 myristoleoylcarnitine (C14:1) 90659872 myristoylcarnitine (C14) 6426854 myristoyl-linoleoyl-glycerol (14:0/18:2) [2] N-(2-furoyl)glycine 21863 N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) N,N,N-trimethyl-5-aminovalerate N1,N12-diacetylspermine 132680 C03413 N1-Methyl-2-pyridone-5-carboxamide 69698 C05842 N1-Methyl-4-pyridone-3-carboxamide 440810 C05843 1-methyladenosine 27476 C02494 1-methylguanosine 96373 N1-methylinosine 65095 N2,N2-dimethylguanosine 92919 N2,N6-diacetyllysine 91827 N2-acetyllysine 92907 C12989 N6,N6,N6-trimethyllysine 440120 C03793 N6,N6-dimethyladenosine 348206 N6-acetyllysine 92832 C02727 N6-carbamoylthreonyladenosine 161466 N6-carboxymethyllysine 123800 N6-formyllysine 70923 N6-methyladenosine 1869 N6-succinyladenosine 165243 N-acetyl-1-methylhistidine 193270 N-acetyl-3-methylhistidine 193270 N-acetylalanine 88064 C02847 N-acetylarginine 67427 C02562 N-acetylasparagine 99715 N-acetylaspartate (NAA) 65065 C01042 N-acetyl-aspartyl-glutamate (NAAG) 5255 C12270 N-acetyl-beta-alanine 76406 C01073 N-acetyl-beta-glucosaminylamine 439454 C01239 N-acetyl-cadaverine 189087 N-acetylcitrulline 656979 C15532 N-acetylcysteine 12035 C06809 N-acetylglucosamine/N-acetylgalactosamine 24139 N-acetylglucosaminylasparagine 123826 C04540 N-acetylglutamate 70914 C00624 N-acetylglutamine 182230 C02716 N-acetylglycine 10972 N-acetylhistamine 69602 C05135 N-acetylhistidine 75619 C02997 N-acetylisoleucine 2802421 N-acetyl-isoputreanine N-acetylleucine 70912 C02710 N-acetylmethionine 448580 C02712 N-acetylmethionine sulfoxide 193368 N-acetylmuramate 5462244 C02713 N-acetylneuraminate 439197 C00270 N-acetylphenylalanine 74839 C03519 N-acetylproline 322640 N-acetylputrescine 122356 C02714 N-acetylpyrraline N-acetylserine 65249 N-acetylsphingosine 5497136 C00195 N-acetyltaurine 159864 N-acetylthreonine 152204 N-acetyltryptophan 700653 C03137 N-acetyltyrosine 68310 N-acetylvaline 66789 N-alpha-acetylornithine 439232 C00437 naringenin 932 C00509 N-carbamoylaspartate 93072 C00438 N-delta-acetylornithine 9920500 N-formylanthranilic acid 101399 C05653 N-formylmethionine 439750 C03145 N-formylphenylalanine 759256 nicotianamine 9882882 C05324 nicotinamide 936 C00153 nicotinamide N-oxide 72661 nicotinamide riboside 439924 C03150 nicotinate 938 C00253 nicotinate ribonucleoside 161234 C05841 nicotinic acid mononucleotide (NaMN) 5288991 C01185 nisinate (24:6n3) 11792612 N-linoleoylglycine 6433346 N-linoleoyltaurine N-methylalanine 5288725 C02721 N-methyl-GABA 70703 C15987 N-methylhydroxyproline N-methylproline 557 N-oleoylserine N-oleoyl-sphingosine (d18:1/18:1) 5283563 N-oleoyltaurine 6437033 nonadecanoate (19:0) 12591 C16535 N-palmitoylglycine 151008 N-palmitoyl-sphingadienine (d18:2/16:0) N-palmitoyl-sphinganine (d18:0/16:0) 5283572 N-palmitoyl-sphingosine (d18:1/16:0) 5283564 N-stearoyl-sphinganine (d18:0/18:0) 5283573 N-stearoyl-sphingosine (d18:1/18:0) 5283565 N-stearoyltaurine 168274 octadecanedioylcarnitine (C18-DC) octadecenedioate (C18:1-DC) octadecenedioylcarnitine (C18:1-DC) octanoylcarnitine (C8) 123701 C02838 oleanolate 10494 C17148 oleate/vaccenate (18:1) oleoyl ethanolamide 5283454 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2] oleoylcarnitine (C18) 6441392 oleoylcholine oleoyl-linolenoyl-glycerol (18:1/18:3) [2] oleoyl-linoleoyl-glycerol (18:1/18:2) [1] oleoyl-linoleoyl-glycerol (18:1/18:2) [2] oleoyl-oleoyl-glycerol (18:1/18:1) [2] ornithine 6262 C00077 orotate 967 C00295 orotidine 92751 O-sulfo-L-tyrosine 514186 o-Tyrosine 91482 palmitate (16:0) 985 C00249 palmitoleate (16:1n7) 445638 C08362 palmitoleoyl ethanolamide 9835868 palmitoleoylcarnitine (C16:1) 71464547 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1] palmitoyl dihydrosphingomyelin (d18:0/16:0) 9939965 palmitoyl sphingomyelin (d18:1/16:0) 9939941 palmitoylcarnitine (C16) 461 C02990 palmitoylcholine 151731 palmitoyl-linolenoyl-glycerol (16:0/18:3) [2] palmitoyl-linoleoyl-glycerol (16:0/18:2) [1] 9543695 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2] pantetheine 439322 C00831 pantothenate (Vitamin B5) 6613 C00864 p-cresol sulfate 4615423 pentadecanoate (15:0) 13849 C16537 phenethylamine 1001 C05332 phenol sulfate 74426 C02180 phenylacetate 999 C07086 phenylacetylglutamine 92258 C04148 phenylacetylglycine 68144 C05598 phenylalanine 6140 C00079 phenylalanylalanine 5488196 phenylalanylglycine 98207 phenyllactate (PLA) 3848 C05607 phenylpyruvate 997 C00166 pheophorbide A 5323510 C18021 pheophytin A C05797 phosphate 1061 C00009 phytosphingosine 122121 C12144 picolinate 1018 C10164 pimelate (C7-DC) 385 C02656 pinitol 164619 C03844 pipecolate 849 C00408 prolylhydroxyproline 11673055 proline 145742 C00148 prolylglycine 6426709 propionylcarnitine (C3) 107738 C03017 protoporphyrin IX 4971 C02191 pseudouridine 15047 C02067 pyridoxal 1050 C00250 pyridoxamine 1052 C00534 pyridoxate 6723 C00847 pyridoxine (Vitamin B6) 1054 C00314 pyroglutamine 134508 pyrraline 122228 pyruvate 1060 C00022 quinate 6508 C00296 quinolinate 1066 C03722 raffinose 10542 C00492 retinol (Vitamin A) 445354 C00473 ribitol 6912 C00474 riboflavin (Vitamin B2) 493570 C00255 ribonate (ribonolactone) 5460677 C01685 ribose 5779 C00121 ribulonate/xylulonate ribulose/xylulose 5289590 S-(3-hydroxypropyl)mercapturic acid (HPMA) 3371179 S-1-pyrroline-5-carboxylate 1196 C04322 salicylate 338 C00805 sarcosine 1088 C00213 sebacate (C10-DC) 5192 C08277 sedoheptulose 5459879 sedoheptulose-7-phosphate 616 C05382 serine 5951 C00065 serotonin 5202 C00780 sinapate 637775 C00482 soyasaponin I 122097 C08983 soyasaponin II 171435 C12081 soyasaponin III spermidine 1102 C00315 sphingadienine 6449795 sphinganine 3126 C00836 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0) sphingomyelin (d18:1/14:0, d16:1/16:0) 11433862 sphingomyelin (d18:1/24:1, d18:2/24:0) sphingosine 5353955 C00319 stachydrine 115244 C10172 stachyose 439531 C01613 stearidonate (18:4n3) 5312508 C16300 stearoylcarnitine (C18) 6426855 stearoyl-linoleoyl-glycerol (18:0/18:2) [2] stigmasterol 5280794 C05442 suberate (C8-DC) 10457 C08278 succinate 1110 C00042 succinimide 11439 C07273 succinylcarnitine (C4) 71464481 sucrose 5988 C00089 sulfate 1118 C00059 syringic acid 10742 C10833 tartronate (hydroxymalonate) 45 C02287 taurine 1123 C00245 tauro-beta-muricholate 168408 taurochenodeoxycholate 387316 C05465 taurochenodeoxycholic acid 7-sulfate taurocholate 6675 C05122 taurocholenate sulfate taurodeoxycholate 2733768 C05463 taurohyodeoxycholic acid 119046 taurolithocholate 10595 C02592 tauroursodeoxycholate 9848818 tetradecanedioate (C14) 13185 thiamin (Vitamin B1) 1130 C00378 thiamin monophosphate 3382778 C01081 thioproline 93176 threonate 151152 C01620 threonine 6288 C00188 threonylphenylalanine 4099799 thymidine 5789 C00214 TMP 9700 C00364 thymine 1135 C00178 hydroxyproline 5810 C01157 trans-urocanate 736715 C00785 tricarballylate 14925 C19806 trigonelline (N'-methylnicotinate) 5570 C01004 trimethylamine N-oxide 1145 C01104 tryptamine 1150 C00398 tryptophan 6305 C00078 tryptophylglycine 263471 tyramine 5610 C00483 tyrosine 6057 C00082 tyrosol 10393 C06044 tyrosylglycine 259323 undecanedioate (C11-DC) 15816 uracil 1174 C00106 urate 1175 C00366 urea 1176 C00086 uridine 6029 C00299 uridine 3'-monophosphate (3'-UMP) 101543 C01368 UMP 6030 C00105 uridine-2',3'-cyclic monophosphate 439715 C02355 ursocholate valerate (5:0) 7991 C00803 valine 6287 C00183 valine betaine valylglutamine 5253209 valylglycine 136487 valylleucine 352039 vanillate 8468 C06672 vanillic alcohol sulfate vanillin sulfate xanthine 1188 C00385 xanthosine 64959 C01762 xanthurenate 5699 C02470 xylose 135191 C00181 METABOLITES_END #END