#METABOLOMICS WORKBENCH cbeekman_20240117_124246 DATATRACK_ID:4594 STUDY_ID:ST003277 ANALYSIS_ID:AN005367 PROJECT_ID:PR001952 VERSION 1 CREATED_ON 03-10-2025 #PROJECT PR:PROJECT_TITLE Spatial analysis of murine GI reveals role of small intestinal bile acid PR:PROJECT_TITLE metabolism in amoxicillin-induced dysbiosis PR:PROJECT_SUMMARY Antibiotics cause collateral damage to resident microbes that is associated with PR:PROJECT_SUMMARY various health risks. To-date, studies have largely focused on impacts of PR:PROJECT_SUMMARY antibiotics on large intestinal and fecal microbiota. Here, we employ a GI-wide PR:PROJECT_SUMMARY integrated multiomic approach to reveal that amoxicillin (AMX) treatment reduces PR:PROJECT_SUMMARY overall bacterial abundance, bile salt hydrolase activity and unconjugated bile PR:PROJECT_SUMMARY acids in the small intestine (SI). An accompanying loss of fatty acids and PR:PROJECT_SUMMARY increase in acyl-carnitines in the large intestine corresponded with PR:PROJECT_SUMMARY spatially-distinct expansions of proteobacteria. Parasutterella PR:PROJECT_SUMMARY excrementihominis utilized fatty acid biosynthesis, becoming dominant in the SI PR:PROJECT_SUMMARY while multiple Klebsiella species employed fatty acid oxidation during expansion PR:PROJECT_SUMMARY in the large intestine. Depletion of bile acids and lipids may contribute to PR:PROJECT_SUMMARY AMX-induced dysbiosis in the lower GI. To test this, we demonstrate that PR:PROJECT_SUMMARY restoration of unconjugated bile acids can mitigate losses of commensals in the PR:PROJECT_SUMMARY large intestine while also inhibiting the expansion of Proteobacteria during AMX PR:PROJECT_SUMMARY treatment. PR:INSTITUTE Brown University PR:DEPARTMENT MMI PR:LABORATORY MMI, Belenky Lab PR:LAST_NAME Beekman PR:FIRST_NAME Chapman PR:ADDRESS BMC 613, 171 Meeting Street, Providence RI 02912 PR:EMAIL Chapman_Beekman@brown.edu PR:PHONE 4012071832 PR:DOI http://dx.doi.org/10.21228/M8DD95 #STUDY ST:STUDY_TITLE LC-MS/MS spatial analysis of mouse GI ST:STUDY_SUMMARY Untargeted metabolomic analysis of lumenal contents from AMX-treated and ST:STUDY_SUMMARY untreated mice ST:INSTITUTE Brown University ST:LAST_NAME Beekman ST:FIRST_NAME Chapman ST:ADDRESS BMC 613, 171 Meeting Street, Providence RI 02912 ST:EMAIL Chapman_Beekman@brown.edu ST:PHONE 4012071832 ST:SUBMIT_DATE 2024-01-17 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57/BL6 SU:ANIMAL_ANIMAL_SUPPLIER JAX SU:SPECIES_GROUP Mammals #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 1 A38 Cage #:1 | Organ:Blood | Treatment:Amox SUBJECT_SAMPLE_FACTORS 2 A40 Cage #:1 | Organ:Blood | Treatment:Amox SUBJECT_SAMPLE_FACTORS 3 A42 Cage #:1 | Organ:Blood | Treatment:Amox SUBJECT_SAMPLE_FACTORS 2 A11 Cage #:1 | Organ:Cecum | Treatment:Amox SUBJECT_SAMPLE_FACTORS 3 A17 Cage #:1 | Organ:Cecum | Treatment:Amox SUBJECT_SAMPLE_FACTORS 1 A5 Cage #:1 | Organ:Cecum | Treatment:Amox SUBJECT_SAMPLE_FACTORS 2 A12 Cage #:1 | Organ:Colon | Treatment:Amox SUBJECT_SAMPLE_FACTORS 3 A18 Cage #:1 | Organ:Colon | Treatment:Amox SUBJECT_SAMPLE_FACTORS 1 A6 Cage #:1 | Organ:Colon | Treatment:Amox SUBJECT_SAMPLE_FACTORS 2 A10 Cage #:1 | Organ:DSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 3 A16 Cage #:1 | Organ:DSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 1 A4 Cage #:1 | Organ:DSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 1 A37 Cage #:1 | Organ:Liver | Treatment:Amox SUBJECT_SAMPLE_FACTORS 2 A39 Cage #:1 | Organ:Liver | Treatment:Amox SUBJECT_SAMPLE_FACTORS 3 A41 Cage #:1 | Organ:Liver | Treatment:Amox SUBJECT_SAMPLE_FACTORS 3 A15 Cage #:1 | Organ:MSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 1 A3 Cage #:1 | Organ:MSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 2 A9 Cage #:1 | Organ:MSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 3 A14 Cage #:1 | Organ:PSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 1 A2 Cage #:1 | Organ:PSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 2 A8 Cage #:1 | Organ:PSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 1 A1 Cage #:1 | Organ:Stomach | Treatment:Amox SUBJECT_SAMPLE_FACTORS 3 A13 Cage #:1 | Organ:Stomach | Treatment:Amox SUBJECT_SAMPLE_FACTORS 2 A7 Cage #:1 | Organ:Stomach | Treatment:Amox SUBJECT_SAMPLE_FACTORS 4 A44 Cage #:2 | Organ:Blood | Treatment:Amox SUBJECT_SAMPLE_FACTORS 5 A46 Cage #:2 | Organ:Blood | Treatment:Amox SUBJECT_SAMPLE_FACTORS 6 A48 Cage #:2 | Organ:Blood | Treatment:Amox SUBJECT_SAMPLE_FACTORS 4 A23 Cage #:2 | Organ:Cecum | Treatment:Amox SUBJECT_SAMPLE_FACTORS 5 A29 Cage #:2 | Organ:Cecum | Treatment:Amox SUBJECT_SAMPLE_FACTORS 6 A35 Cage #:2 | Organ:Cecum | Treatment:Amox SUBJECT_SAMPLE_FACTORS 4 A24 Cage #:2 | Organ:Colon | Treatment:Amox SUBJECT_SAMPLE_FACTORS 5 A30 Cage #:2 | Organ:Colon | Treatment:Amox SUBJECT_SAMPLE_FACTORS 6 A36 Cage #:2 | Organ:Colon | Treatment:Amox SUBJECT_SAMPLE_FACTORS 4 A22 Cage #:2 | Organ:DSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 5 A28 Cage #:2 | Organ:DSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 6 A34 Cage #:2 | Organ:DSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 4 A43 Cage #:2 | Organ:Liver | Treatment:Amox SUBJECT_SAMPLE_FACTORS 5 A45 Cage #:2 | Organ:Liver | Treatment:Amox SUBJECT_SAMPLE_FACTORS 6 A47 Cage #:2 | Organ:Liver | Treatment:Amox SUBJECT_SAMPLE_FACTORS 4 A21 Cage #:2 | Organ:MSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 5 A27 Cage #:2 | Organ:MSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 6 A33 Cage #:2 | Organ:MSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 4 A20 Cage #:2 | Organ:PSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 5 A26 Cage #:2 | Organ:PSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 6 A32 Cage #:2 | Organ:PSI | Treatment:Amox SUBJECT_SAMPLE_FACTORS 4 A19 Cage #:2 | Organ:Stomach | Treatment:Amox SUBJECT_SAMPLE_FACTORS 5 A25 Cage #:2 | Organ:Stomach | Treatment:Amox SUBJECT_SAMPLE_FACTORS 6 A31 Cage #:2 | Organ:Stomach | Treatment:Amox SUBJECT_SAMPLE_FACTORS 8 C11 Cage #:3 | Organ:Cecum | Treatment:Control SUBJECT_SAMPLE_FACTORS 9 C17 Cage #:3 | Organ:Cecum | Treatment:Control SUBJECT_SAMPLE_FACTORS 7 C5 Cage #:3 | Organ:Cecum | Treatment:Control SUBJECT_SAMPLE_FACTORS 8 C12 Cage #:3 | Organ:Colon | Treatment:Control SUBJECT_SAMPLE_FACTORS 9 C18 Cage #:3 | Organ:Colon | Treatment:Control SUBJECT_SAMPLE_FACTORS 7 C6 Cage #:3 | Organ:Colon | Treatment:Control SUBJECT_SAMPLE_FACTORS 8 C10 Cage #:3 | Organ:DSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 9 C16 Cage #:3 | Organ:DSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 7 C4 Cage #:3 | Organ:DSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 9 C15 Cage #:3 | Organ:MSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 7 C3 Cage #:3 | Organ:MSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 8 C9 Cage #:3 | Organ:MSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 9 C14 Cage #:3 | Organ:PSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 7 C2 Cage #:3 | Organ:PSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 8 C8 Cage #:3 | Organ:PSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 7 C1 Cage #:3 | Organ:Stomach | Treatment:Control SUBJECT_SAMPLE_FACTORS 9 C13 Cage #:3 | Organ:Stomach | Treatment:Control SUBJECT_SAMPLE_FACTORS 8 C7 Cage #:3 | Organ:Stomach | Treatment:Control SUBJECT_SAMPLE_FACTORS 10 C23 Cage #:4 | Organ:Cecum | Treatment:Control SUBJECT_SAMPLE_FACTORS 11 C29 Cage #:4 | Organ:Cecum | Treatment:Control SUBJECT_SAMPLE_FACTORS 12 C35 Cage #:4 | Organ:Cecum | Treatment:Control SUBJECT_SAMPLE_FACTORS 10 C24 Cage #:4 | Organ:Colon | Treatment:Control SUBJECT_SAMPLE_FACTORS 11 C30 Cage #:4 | Organ:Colon | Treatment:Control SUBJECT_SAMPLE_FACTORS 12 C36 Cage #:4 | Organ:Colon | Treatment:Control SUBJECT_SAMPLE_FACTORS 10 C22 Cage #:4 | Organ:DSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 11 C28 Cage #:4 | Organ:DSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 12 C34 Cage #:4 | Organ:DSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 10 C21 Cage #:4 | Organ:MSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 11 C27 Cage #:4 | Organ:MSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 12 C33 Cage #:4 | Organ:MSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 10 C20 Cage #:4 | Organ:PSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 11 C26 Cage #:4 | Organ:PSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 12 C32 Cage #:4 | Organ:PSI | Treatment:Control SUBJECT_SAMPLE_FACTORS 10 C19 Cage #:4 | Organ:Stomach | Treatment:Control SUBJECT_SAMPLE_FACTORS 11 C25 Cage #:4 | Organ:Stomach | Treatment:Control SUBJECT_SAMPLE_FACTORS 12 C31 Cage #:4 | Organ:Stomach | Treatment:Control #COLLECTION CO:COLLECTION_SUMMARY Lumenal contents collected from multiple GI sites and immediately flash frozen CO:SAMPLE_TYPE Blood;Cecum;Colon;DSI;MSI;Liver;PSI;Stomach #TREATMENT TR:TREATMENT_SUMMARY Mice were treated for 24h with amoxicillin/vehicle in drinking water TR:TREATMENT_COMPOUND Amoxicillin TR:TREATMENT_ROUTE oral #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. To remove protein, dissociate small SP:SAMPLEPREP_SUMMARY molecules bound to protein or trapped in the precipitated protein matrix, and to SP:SAMPLEPREP_SUMMARY recover chemically diverse metabolites, proteins were precipitated with methanol SP:SAMPLEPREP_SUMMARY under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by SP:SAMPLEPREP_SUMMARY centrifugation. The resulting extract was divided into five fractions: two for SP:SAMPLEPREP_SUMMARY analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion SP:SAMPLEPREP_SUMMARY mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with SP:SAMPLEPREP_SUMMARY negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion SP:SAMPLEPREP_SUMMARY mode ESI, and one sample was reserved for backup. Samples were placed briefly on SP:SAMPLEPREP_SUMMARY a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were SP:SAMPLEPREP_SUMMARY stored overnight under nitrogen before preparation for analysis #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY High pH (LC/MS Neg) CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) CH:COLUMN_TEMPERATURE 40-50 CH:FLOW_GRADIENT Linear gradient from 0.5 to 70% B over 4.0 minutes, then rapid gradient to 99% B CH:FLOW_GRADIENT in 0.5 minutes. CH:FLOW_RATE 0.35 mL/min CH:SOLVENT_A 100% water; 6.5 mM ammonium bicarbonate, pH 8 CH:SOLVENT_B 95% methanol/5% water; 6.5 mM ammonium bicarbonate CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS Metabolon (LC/MS Neg) MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized imputed data MS_METABOLITE_DATA_START Samples A11 A17 A5 A12 A18 A6 A10 A16 A4 A15 A3 A9 A14 A2 A8 A1 A13 A7 A23 A29 A35 A24 A30 A36 A22 A28 A34 A21 A27 A33 A20 A26 A32 A19 A25 A31 C11 C17 C5 C12 C6 C10 C16 C4 C15 C3 C9 C14 C2 C8 C1 C13 C7 C23 C29 C35 C24 C30 C36 C22 C28 C34 C21 C27 C33 C20 C26 C32 C19 C25 C31 Factors Cage #:1 | Organ:Cecum | Treatment:Amox Cage #:1 | Organ:Cecum | Treatment:Amox Cage #:1 | Organ:Cecum | Treatment:Amox Cage #:1 | Organ:Colon | Treatment:Amox Cage #:1 | Organ:Colon | Treatment:Amox Cage #:1 | Organ:Colon | Treatment:Amox Cage #:1 | Organ:DSI | Treatment:Amox Cage #:1 | Organ:DSI | Treatment:Amox Cage #:1 | Organ:DSI | Treatment:Amox Cage #:1 | Organ:MSI | Treatment:Amox Cage #:1 | Organ:MSI | Treatment:Amox Cage #:1 | Organ:MSI | Treatment:Amox Cage #:1 | Organ:PSI | Treatment:Amox Cage #:1 | Organ:PSI | Treatment:Amox Cage #:1 | Organ:PSI | Treatment:Amox Cage #:1 | Organ:Stomach | Treatment:Amox Cage #:1 | Organ:Stomach | Treatment:Amox Cage #:1 | Organ:Stomach | Treatment:Amox Cage #:2 | Organ:Cecum | Treatment:Amox Cage #:2 | Organ:Cecum | Treatment:Amox Cage #:2 | Organ:Cecum | Treatment:Amox Cage #:2 | Organ:Colon | Treatment:Amox Cage #:2 | Organ:Colon | Treatment:Amox Cage #:2 | Organ:Colon | Treatment:Amox Cage #:2 | Organ:DSI | Treatment:Amox Cage #:2 | Organ:DSI | Treatment:Amox Cage #:2 | Organ:DSI | Treatment:Amox Cage #:2 | Organ:MSI | Treatment:Amox Cage #:2 | Organ:MSI | Treatment:Amox Cage #:2 | Organ:MSI | Treatment:Amox Cage #:2 | Organ:PSI | Treatment:Amox Cage #:2 | Organ:PSI | Treatment:Amox Cage #:2 | Organ:PSI | Treatment:Amox Cage #:2 | Organ:Stomach | Treatment:Amox Cage #:2 | Organ:Stomach | Treatment:Amox Cage #:2 | Organ:Stomach | Treatment:Amox Cage #:3 | Organ:Cecum | Treatment:Control Cage #:3 | Organ:Cecum | Treatment:Control Cage #:3 | Organ:Cecum | Treatment:Control Cage #:3 | Organ:Colon | Treatment:Control Cage #:3 | Organ:Colon | Treatment:Control Cage #:3 | Organ:DSI | Treatment:Control Cage #:3 | Organ:DSI | Treatment:Control Cage #:3 | Organ:DSI | Treatment:Control Cage #:3 | Organ:MSI | Treatment:Control Cage #:3 | Organ:MSI | Treatment:Control Cage #:3 | Organ:MSI | Treatment:Control Cage #:3 | Organ:PSI | Treatment:Control Cage #:3 | Organ:PSI | Treatment:Control Cage #:3 | Organ:PSI | Treatment:Control Cage #:3 | Organ:Stomach | Treatment:Control Cage #:3 | Organ:Stomach | Treatment:Control Cage #:3 | Organ:Stomach | Treatment:Control Cage #:4 | Organ:Cecum | Treatment:Control Cage #:4 | Organ:Cecum | Treatment:Control Cage #:4 | Organ:Cecum | Treatment:Control Cage #:4 | Organ:Colon | Treatment:Control Cage #:4 | Organ:Colon | Treatment:Control Cage #:4 | Organ:Colon | Treatment:Control Cage #:4 | Organ:DSI | Treatment:Control Cage #:4 | Organ:DSI | Treatment:Control Cage #:4 | Organ:DSI | Treatment:Control Cage #:4 | Organ:MSI | Treatment:Control Cage #:4 | Organ:MSI | Treatment:Control Cage #:4 | Organ:MSI | Treatment:Control Cage #:4 | Organ:PSI | Treatment:Control Cage #:4 | Organ:PSI | Treatment:Control Cage #:4 | Organ:PSI | Treatment:Control Cage #:4 | Organ:Stomach | Treatment:Control Cage #:4 | Organ:Stomach | Treatment:Control Cage #:4 | Organ:Stomach | Treatment:Control 10-heptadecenoate (17:1n7) 0.8328 0.0151 0.6589 0.4372 0.2819 0.2924 0.7008 0.2504 3.9530 1.2110 1.4930 2.5521 2.3806 3.1677 3.3823 0.1601 0.0845 0.2659 0.1870 0.3961 0.3087 0.1770 0.3643 0.5141 0.3401 0.6813 2.3668 0.6698 1.7730 0.4379 2.7890 3.3645 1.6184 0.4662 0.1337 0.4412 1.2340 0.6621 0.4679 0.2948 0.4803 3.3017 1.6849 3.4236 3.2321 2.8986 1.6300 5.5089 2.8962 3.6304 0.2600 0.1416 0.0829 1.2758 1.7416 1.0000 1.0597 1.0746 0.7284 3.5579 2.0825 1.5070 1.4898 3.7163 2.8617 4.1386 4.0574 5.6327 0.0838 0.1520 0.1424 10-hydroxystearate 3.3020 0.0235 0.1518 1.6845 0.0263 0.5499 0.1338 0.0539 0.0203 0.1027 0.1891 0.3447 0.0623 0.4976 0.5075 1.4303 0.5610 7.8853 0.0228 0.0508 0.0405 0.1715 0.1427 0.0753 0.0260 0.0317 0.0843 0.0903 0.0746 0.1515 0.3115 0.0914 0.1779 1.3347 0.7633 1.0321 7.5577 11.5369 7.0504 4.7533 5.8832 0.8288 1.4436 1.7264 3.2483 0.9422 1.0000 1.6635 0.5560 2.3796 4.5191 11.2448 9.0680 9.7782 12.3457 11.2475 3.4679 5.3153 6.7583 1.8161 4.1587 2.5686 0.6390 3.0817 1.1978 1.9122 1.6813 0.4249 2.8477 10.0386 2.4430 10-nonadecenoate (19:1n9) 0.5159 0.0219 1.0432 0.4363 0.4234 0.4903 0.8635 0.4178 5.4996 1.6009 2.1946 4.5026 4.0138 5.1453 6.7385 0.3219 0.1161 0.3848 0.3184 0.6679 0.4588 0.2170 0.5097 0.7535 0.3786 0.7665 3.0243 0.9952 2.2401 0.6302 3.9773 5.4754 2.4373 0.6026 0.1212 0.6741 1.1149 0.6524 0.3991 0.2133 0.5085 4.5135 2.1374 5.2657 5.1775 4.5363 2.3967 10.6059 3.4624 5.0232 0.2562 0.2345 0.1029 1.2736 2.0525 1.0675 1.0000 0.9975 0.7490 4.8696 2.4889 1.7938 2.2752 5.3564 4.1130 5.7590 5.9676 10.0836 0.0977 0.2115 0.1879 1-(1-enyl-oleoyl)-GPE (P-18:1)* 0.4313 0.0314 1.0649 0.4993 1.0021 6.3588 0.2739 0.0600 0.1111 0.6570 0.5463 1.0000 0.8150 0.7403 1.8835 0.0197 0.0197 0.6545 1.0649 2.2329 1.4308 0.6085 3.5951 0.3319 0.0669 0.0371 0.2132 0.5555 0.5940 0.3776 1.2724 2.2727 1.0792 0.2343 0.0197 1.7273 1.1610 0.3104 0.1938 0.0532 0.2315 2.7275 1.6152 6.2071 2.1641 1.5347 1.4996 3.2519 1.4362 1.4849 0.0483 0.0197 0.0197 0.6385 0.3845 1.7906 0.2769 0.9535 0.5676 4.3984 2.2517 1.0736 1.2391 2.6931 2.4036 3.2849 1.9088 7.5436 0.0197 0.0197 0.1372 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 0.1125 0.1125 1.5368 0.6019 0.7640 0.4030 0.1320 0.1125 0.1125 3.0549 0.8469 3.8778 1.0096 0.7053 4.1220 0.1125 0.1125 10.5280 0.6933 0.4487 0.3043 0.6256 0.8212 0.2319 0.1125 0.1125 0.1125 1.6239 2.2434 0.8250 4.8289 3.0647 2.9698 0.1125 0.1125 1.1617 0.1125 0.1125 0.1125 0.1125 0.1125 0.1125 0.9904 1.4347 5.1654 0.4879 2.3640 0.1125 1.9910 1.2591 0.5202 0.1125 0.1125 0.1125 0.1125 0.1125 0.3112 0.4178 0.3513 0.1125 0.6257 0.5824 0.7614 1.1410 2.3964 3.9004 1.7665 2.9685 0.1125 0.1125 16.5038 12_13-DiHOME 0.8139 0.0744 0.1709 0.4579 0.1950 0.1998 0.0419 0.1694 0.1172 0.2775 0.3432 1.3340 2.2087 2.9257 2.8195 1.5818 1.0371 1.5426 0.1941 0.1768 0.1409 0.1977 0.1895 0.2404 0.1343 0.0419 0.0419 0.2925 0.7369 0.0419 2.5254 5.7484 2.6899 1.9345 2.7405 0.9629 0.9397 0.7421 1.0860 0.5696 0.6754 0.0911 0.7883 0.5740 4.4457 4.5124 0.7589 5.5100 6.4414 5.0366 1.9798 1.5876 1.7959 2.1418 1.2631 1.0841 0.8521 0.6984 0.9179 1.4204 1.1789 0.8556 1.1450 3.5815 2.9894 5.5819 4.2286 3.8550 3.3240 1.3649 0.9256 1_2_3-benzenetriol sulfate (1) 3.2464 0.3976 1.5507 0.3976 0.3976 1.0000 0.3976 0.3976 0.3976 1.3307 0.3976 1.9806 0.3976 0.3976 0.7231 0.3976 1.0157 2.5302 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.4262 0.8315 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.6047 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.3976 0.6103 0.3976 0.3976 1_2_3-benzenetriol sulfate (2) 0.4356 0.1588 2.2778 0.1344 0.4059 1.0852 9.6353 5.2658 4.6949 11.6993 1.9032 17.6284 1.9725 0.3878 6.7312 0.4009 1.9473 2.2137 0.2983 0.4648 0.7230 0.1266 0.2260 0.2991 1.0398 4.5770 2.3564 0.2397 3.7513 5.9742 0.1534 0.9630 2.4055 0.1379 4.1468 1.8728 0.0444 0.0444 0.0444 0.0444 0.0444 4.8401 2.2469 0.7693 1.0408 0.9554 1.3796 0.3412 0.9261 0.4416 0.0727 0.3344 0.4680 0.0444 0.0444 0.0444 0.0444 0.0444 0.0444 5.0532 0.7230 1.1484 1.5730 0.7632 1.0370 2.2654 0.2680 0.3173 1.1413 0.0444 0.0720 12-dehydrocholate 4.7526 0.0308 0.3321 0.1076 0.0465 0.3715 0.3590 0.2240 0.2367 0.2761 0.3838 0.3289 0.0666 0.1060 0.0308 0.9672 1.0000 0.2026 0.3080 0.1497 0.3831 0.1902 0.0507 0.1722 0.4437 0.0308 0.5509 0.5915 0.0308 0.5171 0.4237 0.0308 0.1654 1.8821 0.2230 1.6389 13.3571 2.3009 3.7389 5.8114 0.1169 5.5296 37.7851 42.5748 41.3175 14.6440 7.4475 11.0275 3.7076 4.6479 0.5133 1.0666 0.0908 4.3112 1.8816 4.0996 3.8373 1.5192 0.1824 15.8110 21.0090 27.7489 7.7049 18.3887 22.3905 5.5917 7.7249 2.8078 1.8359 1.1063 0.6288 12-ketolithocholate 4.5870 0.0062 0.0062 1.2813 0.0062 0.0200 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0917 0.0178 0.2451 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0148 0.0062 53.9658 25.0561 33.5657 15.0139 10.1274 0.0062 1.9362 1.7411 4.4591 0.3478 0.4321 1.2314 0.1669 0.6439 0.1359 1.1362 0.8328 15.0849 25.0653 24.8835 9.1316 5.2729 9.0074 0.6419 1.6202 1.1331 0.0886 0.9462 1.0538 0.1338 0.7891 0.1055 0.1865 0.6249 0.1169 (12 or 13)-methylmyristate (a15:0 or i15:0) 3.1024 0.0941 1.8924 1.2395 0.9044 1.1945 0.5209 0.3173 0.8602 0.9355 0.7034 1.9215 0.8105 0.9012 1.3902 0.2251 0.1842 0.6091 0.5936 1.0000 0.5264 0.2545 0.4510 0.3169 0.2292 0.2469 0.9571 0.4237 0.4775 0.4345 0.9509 0.7858 0.7373 0.4845 0.1564 0.7114 8.2777 4.8453 4.0157 2.3169 2.1313 2.7928 3.2559 4.0157 3.6643 1.7399 2.7611 2.2818 1.2206 2.2828 0.4311 0.4005 0.2198 3.5838 3.8119 4.3195 1.6284 1.6787 2.0198 2.8488 2.8893 3.8547 1.0958 3.0703 1.9439 1.8616 2.0129 1.7600 0.1223 0.3103 0.1922 13-HODE + 9-HODE 0.2874 0.0374 0.3289 0.6000 0.4769 0.2613 0.8508 0.3235 1.3469 1.2152 1.2334 1.3949 0.7026 1.1668 1.3822 1.0900 0.5934 1.2021 0.1208 0.3353 0.2104 0.3684 0.5348 0.7100 0.4141 0.3905 0.8565 1.1734 1.3651 0.8795 1.4286 1.0000 0.9036 1.8111 1.2642 0.8145 0.1911 0.5102 0.2930 0.5240 0.4376 1.3367 1.2093 2.1292 2.5369 2.0207 1.5436 1.1533 1.9861 1.8140 1.1845 0.9609 0.9630 0.4621 0.5886 0.2499 1.1601 1.7938 1.1767 1.7171 1.2972 1.0553 0.9686 1.8905 2.3202 2.5706 0.8925 1.2792 1.4791 1.3685 0.4590 (14 or 15)-methylpalmitate (a17:0 or i17:0) 0.8743 0.0956 1.3453 0.6466 0.5665 0.7311 0.7005 0.3866 2.1892 1.6397 1.8902 4.1656 4.0685 5.0121 7.0875 0.2982 0.1844 0.4164 0.6014 0.7390 0.7532 0.3522 0.5735 0.5681 0.4081 0.6560 2.3654 1.0000 3.1527 0.6546 4.2710 5.5038 3.1723 0.6515 0.2374 0.7747 1.6093 0.7828 0.6649 0.3549 0.6522 2.7553 2.1372 3.9705 4.1638 3.6302 2.4080 7.2252 4.2392 4.5669 0.4069 0.3042 0.1417 1.4683 1.7345 1.1188 0.9293 0.7079 0.8763 3.1322 2.8157 2.0399 2.2931 5.1953 3.7381 5.5637 6.0475 8.1240 0.1577 0.2422 0.2598 1_5-anhydroglucitol (1_5-AG) 1.6433 0.3172 4.1590 0.9928 0.1566 3.2305 0.5824 0.4002 0.2438 0.9179 0.6504 1.5145 2.9881 2.8081 2.5284 1.3048 0.7260 1.7349 1.3463 1.7868 1.0638 0.6691 1.5515 0.7245 0.1767 0.5614 0.6461 0.4806 1.4610 0.1566 1.3806 3.2490 1.7317 0.4238 0.9411 1.3215 0.1783 0.6441 1.0620 0.1566 0.1566 0.9163 0.9079 1.4550 1.1631 1.1577 0.8723 2.7702 1.5803 2.1677 0.1566 0.4227 0.2941 0.4273 0.4296 0.8987 0.3881 0.8604 0.5122 1.0000 1.5226 1.0420 2.1540 1.7281 1.4163 1.5190 2.8479 3.3430 0.5942 0.3858 0.4915 16-hydroxypalmitate 1.6331 0.2268 0.3079 0.7444 0.4032 0.3733 3.3822 1.1929 1.6148 4.2068 3.5665 1.2815 0.6389 1.0265 0.6465 0.6764 0.6008 0.5650 0.3060 0.3216 0.3122 0.4369 0.4032 0.4209 1.1404 1.7998 1.6659 2.7574 2.3321 2.4610 1.0308 0.5473 0.9996 1.0321 0.8264 0.6978 1.9639 1.3726 1.7689 0.9269 0.8125 2.4340 1.4905 2.3954 1.5941 1.3545 2.8716 0.5877 1.1149 0.9638 0.7330 0.8822 0.6913 2.1367 2.4729 2.2089 0.8948 0.8177 1.0000 1.9471 2.9380 2.4448 0.9974 1.2734 1.9092 1.6397 0.6077 0.6736 0.9096 0.8561 0.4238 (16 or 17)-methylstearate (a19:0 or i19:0) 0.1832 0.1006 0.9237 0.1975 0.5262 0.7480 1.0182 0.6400 1.5491 2.5344 2.5112 4.4207 5.2695 7.5604 14.9868 0.2772 0.2603 1.0677 0.6228 0.7783 0.9913 0.2906 0.6096 0.4299 0.2262 0.6022 2.8736 1.3058 2.5287 1.4862 4.8751 5.2338 3.2556 0.4562 0.1635 0.8055 0.8596 0.4538 0.3930 0.1587 0.4134 2.4395 1.4694 4.1013 3.2672 3.5826 2.4290 9.0923 3.7137 5.8961 0.1074 0.3383 0.1014 1.0000 1.3102 0.7913 0.6734 0.6819 0.4979 2.8311 2.8276 2.3072 2.7323 5.8972 4.6174 6.8914 7.5871 10.0221 0.1048 0.4236 0.1700 18-methylnonadecanoate (i20:0) 0.1386 0.0721 0.8335 0.1202 0.7813 0.6726 1.3521 1.0298 1.4893 3.7463 1.5133 6.7606 6.2840 10.8161 17.8970 0.2034 0.3931 1.7768 1.0107 0.5143 1.0525 0.2548 0.2505 0.3889 0.1105 0.4043 2.2873 1.2393 2.8126 3.6102 9.2679 3.7458 5.9264 0.4856 0.1261 1.1677 0.5456 0.1378 0.1298 0.1217 0.1757 0.8366 0.8842 0.0694 3.9423 2.5816 2.1798 14.5176 3.4179 9.8540 0.1156 0.7124 0.1966 0.3349 0.9893 0.4019 0.2899 0.2184 0.4445 1.7569 3.1237 3.3769 1.1233 10.5698 3.7451 9.4569 13.3358 15.7573 0.0694 0.7664 0.1787 1-arachidonoyl-GPC (20:4n6)* 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.2304 0.0475 0.0102 2.3700 1.1486 2.4939 2.1341 6.4493 2.2624 0.0102 0.0531 0.0344 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0202 0.1271 0.2469 1.3546 7.3182 0.6949 3.6227 1.6918 2.3468 0.0536 0.0460 0.0708 0.0102 0.0102 0.0102 0.0102 0.0102 0.6143 0.4453 2.1779 5.2508 4.6783 4.8637 1.9444 7.0089 3.6400 0.0580 0.0408 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.0102 0.3577 0.8514 0.3496 0.2157 3.9486 4.6989 5.6349 3.4081 5.9809 0.0442 0.0381 0.5652 1-arachidonoyl-GPE (20:4n6)* 0.2171 0.0711 0.7239 0.6962 0.2995 0.7188 0.5238 0.3555 0.0711 4.9815 2.8812 15.1355 11.8119 27.5218 18.3571 0.1117 0.5478 0.3570 0.1832 0.5793 0.1747 0.2358 0.5105 0.2215 0.1369 0.6041 1.1095 5.0025 18.5274 1.7041 19.4363 12.9277 11.3642 0.1542 0.2349 0.5228 0.0711 0.0711 0.2055 0.0711 0.1434 1.9726 1.4162 3.5455 11.1957 16.1020 10.5588 12.0301 28.0560 17.9429 0.1693 0.4351 0.1504 1.0320 1.1034 0.5529 0.4993 0.3814 0.4319 1.4330 2.7795 1.0000 1.5330 15.9485 11.7871 25.2884 18.0363 33.3001 0.3476 0.6502 4.4996 1-arachidonoyl-GPI (20:4)* 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.1237 0.1344 0.8023 5.0040 2.7719 2.3129 0.0309 0.0643 0.1360 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0854 0.5429 1.1977 0.3214 1.6359 5.7663 2.3021 0.2331 0.2769 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0921 0.0309 1.5570 0.5514 1.2590 5.8553 2.4223 2.4551 0.3865 0.0593 0.0564 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.1250 0.0837 1.3123 1.4781 1.3461 1.7986 5.0018 4.8541 0.1664 0.0309 1.2426 1-arachidonylglycerol (20:4) 0.0276 0.0244 0.0848 0.0411 0.3511 0.2428 2.6038 1.8177 2.0526 8.3714 14.9136 25.3847 43.8847 52.1064 65.0441 0.1525 0.2941 0.4879 0.0244 0.4665 0.1937 0.1142 0.3971 0.1441 0.2339 1.0063 3.6101 4.8559 23.0149 2.8554 24.0955 65.0210 21.1062 0.7867 0.1942 0.9937 0.2249 0.0744 0.1813 0.0328 0.0932 7.6303 3.0517 14.2922 3.0817 19.7669 12.2033 52.5810 30.7971 36.8428 0.0974 0.0589 0.0566 0.2438 0.1797 0.3152 0.1299 0.4661 0.0845 11.7395 8.2289 2.9781 34.7899 34.7895 15.4524 29.9082 36.1056 64.8679 0.0833 0.2556 0.1168 1-dihomo-linolenoyl-GPC (20:3n3 or 6)* 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.5413 0.3039 1.4929 0.7515 2.7766 0.8380 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.1958 3.9089 0.0588 1.3756 0.5608 0.7352 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.1401 0.2459 1.2352 2.2077 2.3131 1.5628 0.6736 2.3531 1.1620 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.0588 0.1407 0.4827 0.0588 0.1022 2.2417 2.0004 2.1148 1.2045 2.2834 0.0588 0.0588 0.2087 1-dihomo-linolenoyl-GPE (20:3n3 or 6)* 0.0777 0.0777 0.2435 0.2349 0.1822 0.1679 0.9729 0.3016 0.0777 2.7183 1.5489 10.5202 3.4409 7.3331 7.3156 0.0777 0.1989 0.1137 0.1295 0.2267 0.1315 0.1291 0.3801 0.0992 0.1558 0.6082 1.0271 1.8523 7.0155 0.7384 4.7946 3.5140 2.7747 0.0777 0.0777 0.2715 0.7427 0.0777 0.0777 0.0777 0.0777 2.2453 2.3566 5.1429 6.0600 6.9185 4.9686 4.0300 7.5841 4.7160 0.1134 0.1999 0.1121 0.3652 0.3099 0.3261 0.2860 0.2867 0.4731 2.5391 3.6863 2.1060 1.3410 10.6933 5.1659 6.7005 5.4115 10.6247 0.1359 0.3316 1.3923 1-dihomo-linolenylglycerol (20:3) 0.1106 0.0355 0.0392 0.1077 0.1329 0.1261 1.1376 0.6731 2.5287 3.2450 4.4171 17.3465 22.6390 21.9899 26.1299 0.0604 0.1347 0.0954 0.0355 0.0752 0.0396 0.0355 0.3637 0.1925 0.2302 1.0000 1.9124 2.4983 7.7619 1.4477 11.8715 37.3903 13.1642 0.4612 0.1119 1.0404 0.3613 0.1270 0.0982 0.0497 0.1237 7.0977 2.6615 10.1559 3.0516 8.6326 6.6212 36.0490 13.6052 17.0582 0.2253 0.1033 0.0996 0.2677 0.3676 0.3082 0.1622 0.5260 0.2615 14.4282 5.3244 1.9951 13.4866 27.2241 10.1118 12.5634 28.3822 47.8804 0.0693 0.1970 0.1419 1-dihomo-linoleoylglycerol (20:2) 0.0820 0.0820 0.0820 0.0820 0.1632 0.0820 0.2581 0.2111 1.7209 0.9836 1.2047 2.7007 4.1685 5.8076 5.1369 0.0820 0.2725 0.1639 0.0820 0.2196 0.0820 0.0820 0.0820 0.4704 0.0820 0.4198 1.0733 0.4656 1.3559 0.1058 2.8587 10.7624 2.0797 0.7859 0.3633 0.5651 0.0820 0.1747 0.0820 0.0820 0.2860 1.8898 1.0000 2.2470 0.6569 2.2782 1.3245 10.4395 4.4981 4.0490 0.5251 0.1781 0.3414 0.0820 0.0820 0.0820 0.0820 0.1974 0.3249 2.3039 1.2416 0.4243 3.2200 4.4804 2.3850 4.9686 6.5415 15.4951 0.1260 0.0820 0.2379 1-dihomo-linoleoyl-GPC (20:2)* 0.0320 0.0320 0.0937 0.0320 0.0320 0.0320 0.4881 0.1542 0.0320 1.3977 0.7752 0.8414 0.8606 1.1218 0.2888 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 0.0763 0.2880 0.3133 1.0934 1.2975 0.1556 1.4676 0.4124 1.2018 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 0.5625 1.8238 3.0105 2.1110 1.0701 1.4103 1.0236 1.1061 1.0000 0.0947 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 0.0320 1.0692 1.6390 0.9467 1.5075 1.7779 1.6456 1.8282 0.9746 0.5258 0.0320 0.0320 0.2709 1-docosahexaenoylglycerol (22:6) 0.0113 0.0113 0.0113 0.0113 0.0113 0.0113 1.0000 0.7359 2.3233 1.2800 2.9917 3.2063 3.9067 4.0848 3.7866 0.4059 0.4968 0.3333 0.0113 0.0113 0.0113 0.0113 0.1227 0.1118 0.1765 0.5183 1.4839 0.7006 1.7080 0.4060 2.1217 6.5869 2.6363 1.8120 0.5515 0.8672 0.0928 0.0393 0.1077 0.0113 0.0113 2.2683 0.7730 2.2170 0.7443 2.5998 1.0466 5.5659 2.7098 2.7089 0.2976 0.0865 0.1015 0.0113 0.0113 0.0113 0.1236 0.4898 0.0343 2.8104 1.8976 0.5609 4.0508 3.7038 1.4807 2.1565 3.7488 5.3035 0.2160 0.4362 0.2723 1-docosahexaenoyl-GPC (22:6)* 0.0208 0.0208 0.0559 0.0208 0.0649 0.0323 0.5990 0.1554 0.1507 2.6308 2.0055 4.9284 2.7163 9.0452 5.5870 0.1281 0.1812 0.0930 0.0305 0.0460 0.0864 0.0387 0.0556 0.0208 0.0977 0.4740 0.6985 1.6765 9.9222 0.8187 5.2815 2.9669 2.8293 1.0000 0.5231 0.5059 0.0208 0.0208 0.0208 0.0208 0.0208 1.3926 1.2893 4.4047 4.7214 4.7735 4.1042 3.0371 7.8193 4.7732 0.9602 0.1568 0.1666 0.0208 0.0208 0.0208 0.0208 0.0208 0.0208 1.6956 2.0525 1.1372 0.7895 5.2274 5.4392 7.1407 4.7729 8.8327 0.2253 0.1660 0.9980 1-docosahexaenoyl-GPE (22:6)* 0.0141 0.0141 0.1889 0.1368 0.0923 0.0838 0.4439 0.2621 0.0141 2.4027 2.1463 11.3599 8.1672 14.6635 17.7234 0.1237 0.2577 0.1274 0.0984 0.1408 0.1413 0.1078 0.1599 0.0141 0.2007 0.7003 1.3284 2.4259 8.3371 0.8990 9.2736 10.4874 6.6595 0.6941 0.4418 0.4376 0.0141 0.0141 0.0324 0.0141 0.0141 1.3615 1.1010 2.5224 5.6684 7.2261 4.7816 8.2530 15.1082 8.7825 0.7435 0.1993 0.1438 0.1791 0.0141 0.0141 0.1353 0.0600 0.1076 1.7183 2.5012 1.1241 1.9813 9.0043 5.2251 11.4374 12.1673 19.2462 0.1911 0.2183 1.4316 1-eicosapentaenoylglycerol (20:5)* 0.0963 0.0963 0.0963 0.2365 0.6575 0.2629 0.7000 1.0000 2.3935 2.2540 4.2937 8.4077 8.6100 10.7208 9.0278 0.8293 0.5584 0.3902 0.0963 0.2135 0.0963 0.1256 0.4390 0.3360 0.3341 0.5381 0.9794 1.0990 5.3640 0.6578 4.7199 15.5504 4.9554 4.0309 0.7604 1.7683 0.3450 0.1679 0.1212 0.1005 0.1603 2.8382 2.2487 3.1935 1.9254 5.4037 2.6125 15.7223 7.9389 7.9429 1.8050 0.4709 0.4228 0.4161 0.2498 0.1179 0.1692 0.1814 0.2448 4.8409 2.6599 1.1234 9.1666 15.4413 4.8836 7.4054 12.8910 18.9221 0.3704 0.7817 0.6697 1-eicosapentaenoyl-GPC (20:5)* 0.0872 0.0872 0.0872 0.0872 0.0872 0.0872 0.1724 0.0872 0.0872 2.5252 1.5360 0.8138 0.4576 4.3473 0.0872 0.1297 0.1334 0.0872 0.0872 0.0872 0.0872 0.0872 0.0872 0.0872 0.0872 0.1831 0.0872 1.5554 6.4996 0.6973 1.0000 0.0872 0.0872 0.9919 0.7067 0.2739 0.0872 0.0872 0.0872 0.0872 0.0872 0.0872 0.3964 1.3221 5.1397 3.4944 4.9284 0.0872 6.2118 2.2086 1.0933 0.1451 0.1738 0.0872 0.0872 0.0872 0.0872 0.0872 0.0872 0.0872 1.1347 0.0872 0.0872 2.5750 4.3541 4.1777 2.3413 0.0872 0.2346 0.1199 0.5921 1-eicosapentaenoyl-GPE (20:5)* 0.0670 0.0670 0.4163 0.3777 0.3654 0.5375 0.5403 0.2588 0.2404 3.8606 3.4512 16.5424 7.7070 34.9889 17.3748 0.1077 0.3154 0.0725 0.0670 0.4476 0.1442 0.2327 0.6771 0.2748 0.0755 0.5410 0.8797 4.0070 20.3986 1.1203 15.8703 9.1292 7.6069 0.7430 0.3330 0.5871 0.0670 0.0670 0.0670 0.0670 0.0670 1.7954 1.7319 4.1543 12.9530 17.2496 9.6600 9.8348 36.5378 17.3250 0.5434 0.2636 0.1252 0.6394 1.1242 0.3939 0.2934 0.1888 0.2324 2.1448 4.4601 1.2974 2.1389 23.7891 15.2567 30.5237 22.5043 36.3115 0.2216 0.3005 1.7997 1-eicosenoyl-GPE (20:1)* 0.3134 0.0689 1.0769 0.4398 0.5981 0.5724 1.9728 0.8253 0.3719 3.8041 3.9314 11.6699 25.8310 20.9875 17.6793 0.1583 0.5166 0.9995 0.7048 0.6852 0.6583 0.3370 0.9066 0.2472 0.4293 0.7803 1.2715 6.9916 8.2141 2.2762 23.6548 29.3245 29.5281 0.3223 0.3059 1.0005 0.3469 0.0689 0.1742 0.1129 0.2290 4.8138 6.5804 21.4400 11.2737 8.7496 9.9549 37.8803 23.8143 20.6779 0.5496 0.4956 0.2866 0.1272 0.4040 0.4504 0.4144 0.5332 0.5746 12.0224 11.5849 4.7272 18.6726 23.2001 17.4780 34.3155 37.2474 38.0353 0.3576 0.5822 3.8612 1-eicosenoyl-GPI (20:1)* 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.3315 0.2360 0.2360 1.3434 0.9109 0.7607 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.4903 0.2360 0.3341 1.3851 2.3385 1.7814 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.6914 0.2360 0.5566 2.1304 1.1931 1.0000 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2360 0.2632 0.2360 0.2360 0.2360 0.2360 0.2360 1.8086 1.7128 1.6840 0.2360 0.2360 0.2360 1-heptadecenoylglycerol (17:1)* 0.1038 0.0972 0.0972 0.1122 0.1607 0.1372 0.6229 0.4498 7.7633 0.9474 1.5818 2.3192 2.5436 3.4230 2.2513 0.5735 0.4603 1.0142 0.0972 0.1130 0.0972 0.0972 0.4467 0.4984 0.3058 0.4185 2.2602 0.5880 1.5938 0.9869 1.5737 5.0354 1.1071 3.5415 1.0131 4.7472 1.0768 0.3984 0.2705 0.0972 0.2242 9.3838 0.8941 4.9316 1.1439 2.5644 1.6880 4.8160 2.8859 2.4611 0.8850 0.2796 0.4328 0.6123 0.4472 0.1958 0.3141 0.4993 0.2691 8.6787 1.0293 0.6355 2.3500 4.0528 2.7294 3.3542 2.7545 7.6409 0.2555 1.1271 0.4534 1-linolenoylglycerol (18:3) 0.0297 0.0153 0.0448 0.2349 0.2138 0.0759 0.9143 1.2051 22.4124 2.1468 4.3342 4.0053 2.6935 4.0658 2.1633 0.9757 0.9605 0.7440 0.0318 0.1248 0.0457 0.0488 0.2170 0.5056 0.5471 0.7098 2.3571 1.1131 2.3949 0.8491 2.9483 6.4830 1.8046 4.8260 1.0000 2.8386 0.3291 0.2636 0.3024 0.1844 0.3693 7.6153 2.0190 4.1102 1.9616 5.0578 1.8639 5.1866 5.3190 3.7521 2.6137 0.6536 0.6222 0.7216 0.6551 0.1463 0.4650 0.4480 0.5353 6.6964 1.4213 1.0803 2.8731 5.3949 3.2725 5.4492 3.3385 5.9354 0.4947 0.9988 0.9419 1-linolenoyl-GPE (18:3)* 0.0712 0.0712 0.0867 0.0712 0.0887 0.0712 0.2664 0.1670 0.0712 1.0935 0.9941 1.4691 0.8352 1.4629 0.6471 0.6892 0.6055 0.0712 0.1594 0.0712 0.0745 0.0712 0.0712 0.0712 0.0712 0.1352 0.2484 0.6757 3.3188 0.2120 1.3032 0.3857 0.6245 2.4080 3.0524 1.4724 0.0712 0.0712 0.0712 0.0712 0.0712 0.7721 1.0750 1.3398 4.8716 2.9992 2.3727 0.8099 5.0324 2.2546 4.2349 0.8180 0.7790 0.0712 0.0712 0.0712 0.0712 0.0712 0.0712 1.0059 1.3373 0.4028 0.5233 3.3436 3.2492 2.8108 1.9720 1.4822 0.8810 1.0716 1.7056 1-linolenoyl-GPG (18:3)* 0.1148 0.1148 0.1148 0.1148 0.1148 0.1148 0.1712 0.1148 0.1148 1.8970 2.3214 0.7065 0.6159 1.1709 0.4438 0.7106 0.6036 0.2007 0.1148 0.1148 0.1148 0.1148 0.1148 0.1148 0.1148 0.1148 0.1148 1.1080 3.1683 0.7489 0.7341 0.4939 0.4944 1.6459 3.6923 0.3728 0.1148 0.1148 0.1148 0.1148 0.1148 0.6212 0.3245 1.0000 3.0739 2.5601 3.2512 1.0382 1.5714 0.9749 4.0786 0.9745 1.1940 0.4142 0.1915 0.1148 0.1148 0.1148 0.1148 0.5272 0.4782 0.1148 1.3667 1.9241 3.0589 2.3097 1.1806 0.8627 2.4985 1.2154 1.6216 1-linolenoyl-GPI (18:3)* 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.7965 0.6918 0.1443 2.9541 1.8206 0.8143 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.8185 0.1443 0.5546 1.0086 0.3132 6.7902 16.6785 0.9914 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.2771 0.1443 1.6178 0.9518 0.6192 0.8074 2.7459 1.0617 13.3376 2.6717 3.1267 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.1443 0.2869 0.6003 0.9250 3.5259 0.8238 1.0697 8.4630 1.2638 5.6760 1-linolenoyl-sulfoquinovopyranosyl-glycerol (18:3)* 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.2375 0.1706 0.1706 1.2768 2.0699 2.0291 0.5405 0.7013 0.2550 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 1.8649 5.5882 0.1706 2.4896 0.3134 0.6201 0.6190 0.6004 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.6274 0.1706 1.0532 3.0273 3.3224 6.8091 0.4135 2.5347 0.9468 0.6652 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.3187 2.4561 4.6125 4.0429 0.1706 0.1706 0.1706 0.1706 0.1706 1-linoleoyl-digalactosylglycerol (18:2)* 0.0644 0.0538 0.1654 0.0538 0.3192 0.0538 1.5999 0.4044 0.7661 7.8996 7.8311 5.2829 1.7242 1.7560 1.1709 0.3599 0.5590 0.3259 0.3235 0.1462 0.2109 0.0538 0.0538 0.1115 0.2535 0.4544 0.4365 7.6537 12.3418 3.4890 5.9779 2.2573 2.5068 2.0882 2.0714 1.4092 0.0538 0.0538 0.0538 0.0538 0.0538 0.8922 0.9658 2.8494 7.9818 8.1223 17.7298 0.7399 7.2113 2.5012 3.2118 0.4467 0.4977 0.0538 0.0538 0.0538 0.2216 0.0538 0.0538 0.8794 0.6296 0.4253 1.0000 6.4245 10.2799 8.8593 0.3067 1.4146 0.5934 0.5536 1.0688 1-linoleoyl-galactosylglycerol (18:2)* 1.3768 0.1111 0.4496 0.8058 0.2273 0.2677 0.1844 0.2428 0.4322 3.1235 1.5213 2.9916 1.5096 2.0306 1.7637 0.7072 0.7823 0.9837 0.1628 0.1593 0.2414 0.1296 0.1865 0.1348 0.1111 0.2294 0.3410 1.6132 5.6181 1.0163 4.1628 3.4569 1.4758 3.9814 2.1023 2.4312 1.0193 0.7212 1.0801 0.2668 0.5938 0.4602 0.8994 1.3056 3.3142 3.5758 6.9887 1.6121 6.8223 2.7166 3.6628 0.9156 0.8701 2.5306 2.3964 0.9126 0.7351 0.5125 0.9599 0.8023 0.2659 0.4755 0.4625 3.6200 7.1421 6.9096 1.2275 2.1633 0.6716 1.6773 2.0434 1-linoleoylglycerol (18:2) 0.0159 0.0141 0.0250 0.0874 0.1774 0.1053 1.0137 0.8423 7.3924 1.7698 2.7469 2.8824 3.0129 3.8448 2.9909 0.6898 0.7325 1.1185 0.0156 0.1992 0.0691 0.0332 0.3402 0.3379 0.3644 0.5686 2.5821 1.0042 2.1432 0.9528 1.9745 4.9020 1.5543 2.6751 1.0250 2.7729 0.3765 0.3019 0.2974 0.1193 0.3403 5.0385 1.1373 3.8381 1.0000 2.7919 1.6238 4.2399 2.8581 2.9033 0.7069 0.3118 0.3539 0.6566 0.4854 0.1438 0.4136 0.8626 0.3702 4.9026 1.5372 1.0030 3.5047 4.3682 2.7742 3.2897 3.0512 5.1522 0.4180 0.9781 0.3298 1-linoleoyl-GPA (18:2)* 1.2500 0.2060 1.6178 1.0129 2.1983 1.2948 0.3318 0.2724 0.1173 0.1173 0.3082 0.1173 0.1173 0.6082 0.3217 2.4400 1.4762 0.6785 1.8153 1.3737 1.3681 0.8179 1.0965 0.5712 0.2742 1.0385 0.2624 0.5808 0.5652 0.3118 0.1173 0.7748 1.0023 1.4119 6.1498 2.0266 1.2415 0.7952 0.7903 0.4413 0.6709 0.1173 1.1001 1.2501 1.6873 0.5826 0.9977 0.9110 1.3645 0.2964 10.0279 1.9280 1.0437 1.1159 1.0118 1.1701 0.7144 0.4777 0.7558 0.5620 0.6415 0.3689 0.3148 2.7214 0.9361 1.8428 0.6222 1.3832 2.5576 1.8148 2.1295 1-linoleoyl-GPE (18:2)* 0.1560 0.0141 0.4461 0.2351 0.3325 0.3346 0.5982 0.4268 0.4640 2.7908 1.9150 5.0001 3.2932 7.9692 4.6260 0.6695 0.7541 0.3143 0.3136 0.3571 0.3623 0.2021 0.3337 0.2301 0.2344 0.3894 0.5926 2.5970 5.6519 1.0000 5.5033 3.4117 3.2146 2.2631 2.0591 1.5382 0.1666 0.0891 0.1017 0.0527 0.0875 1.8112 2.2242 3.1702 7.0104 6.4351 5.3531 5.1947 9.6293 6.3181 3.0055 0.7837 0.8685 0.1951 0.1315 0.1616 0.2050 0.1966 0.1467 2.3432 2.1872 1.1159 2.4605 8.5577 7.3106 9.1323 6.3252 9.2155 0.8065 1.0922 1.9848 1-linoleoyl-GPG (18:2)* 0.2919 0.0127 0.0493 0.1021 0.0413 0.0323 0.5682 0.1907 0.2318 3.9083 4.2470 4.5402 7.1512 7.2968 5.2921 0.4205 0.4656 0.3608 0.0448 0.0428 0.0365 0.0127 0.0504 0.0232 0.0742 0.1602 0.1359 3.4799 6.8514 1.9371 5.4497 8.4970 6.2701 1.2730 1.8577 0.5603 0.4694 0.1662 0.3274 0.1296 0.2246 1.5238 1.6358 4.9820 8.6752 5.9865 7.6596 14.2747 7.5825 7.1276 2.7051 0.7123 0.6883 0.9071 0.5368 0.2015 0.3880 0.3884 0.3050 2.0597 2.1247 0.6431 4.6985 12.4038 10.1514 10.2940 11.3733 13.1301 1.0929 1.2687 1.3929 1-linoleoyl-GPI (18:2)* 0.0359 0.0359 0.1271 0.0826 0.1425 0.0487 0.2186 0.4687 0.0359 0.7331 0.7385 1.1092 3.3060 2.4839 1.3549 1.4317 1.2853 0.8317 0.1218 0.0840 0.0982 0.0639 0.0907 0.0589 0.2797 0.2587 0.3553 0.9406 1.7349 0.5400 2.0719 3.9884 1.9658 5.2678 7.4747 1.5236 0.0509 0.0466 0.0503 0.1179 0.0617 0.4021 1.1067 0.5133 3.3196 1.5870 2.1707 3.7541 4.9710 2.9630 8.6489 1.7518 1.7815 0.0359 0.0359 0.0359 0.1892 0.2399 0.0823 1.2474 0.2921 0.4786 1.8335 2.6944 2.8314 5.4216 3.8834 4.4408 3.1931 1.0594 4.3501 1-linoleoyl-GPS (18:2)* 0.0714 0.0714 0.0714 0.0714 0.0714 0.0714 0.1382 0.0714 0.0714 0.8914 1.0213 4.4946 2.0945 8.8044 1.8471 0.0723 0.0714 0.0714 0.0714 0.0714 0.0714 0.0714 0.0714 0.0714 0.0714 0.0714 0.0714 0.9787 7.2066 0.2857 3.7226 1.2538 1.7189 0.4442 0.3687 0.1703 0.0714 0.0714 0.0714 0.0714 0.0714 0.6334 0.5381 1.0468 2.5816 3.1192 2.4767 2.3967 4.4306 3.2866 0.4945 0.0817 0.1012 0.0714 0.0714 0.0714 0.0714 0.0714 0.0714 0.3234 0.6521 0.2163 0.5837 3.7504 3.7313 4.6735 2.7467 3.3866 0.1225 0.0966 0.2989 1-margaroylglycerol (17:0) 0.8286 0.1148 0.3354 0.4230 0.3468 0.2994 0.4029 0.2795 1.8102 1.4488 2.0100 2.5090 3.3043 3.4355 3.5507 0.3244 0.5872 0.5018 0.1680 0.4677 0.3767 0.1148 0.3855 0.4112 0.1711 0.4127 0.9260 0.9998 3.2618 0.3831 3.4100 5.5029 2.3430 1.5856 0.5903 1.1533 2.0256 0.8004 0.7867 0.1160 0.3701 2.4280 1.4162 3.1114 2.8730 4.9518 1.9735 8.4139 4.6752 3.4039 1.0919 0.7268 0.5689 1.6833 0.9026 1.3730 0.7334 0.7291 0.5134 2.2921 1.4018 0.6024 2.8685 4.8925 3.8979 5.3428 4.5789 6.5719 0.4279 1.0002 0.7902 1-margaroyl-GPE (17:0)* 0.1517 0.0218 0.3866 0.1056 0.3603 1.3151 3.0598 1.0000 0.8927 11.4244 11.7813 10.0916 11.2862 12.1761 6.0288 0.0588 0.2408 1.0093 0.4901 0.8334 0.9316 0.1889 0.6470 0.1168 0.2803 0.5601 2.1209 7.6168 14.5469 3.9070 11.3510 17.7308 12.8366 0.3553 0.2253 0.7092 0.5308 0.0218 0.1111 0.0218 0.0887 16.2791 7.6614 40.0250 10.3128 14.4516 10.3766 22.5874 11.3398 10.1513 0.2025 0.0696 0.0446 0.2795 0.1165 0.5050 0.0981 0.2266 0.1757 24.9571 19.1499 4.7666 22.2941 21.5787 13.9838 12.4312 18.3706 17.7673 0.1508 0.2090 0.7481 1-meadoylglycerol (20:3n9)* 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.0893 0.0137 0.2567 0.3873 1.2682 3.7346 2.8828 4.1775 0.0137 0.0470 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.1195 0.0137 0.0137 0.2298 0.0137 0.9634 0.0137 1.0018 4.8165 1.5974 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.2249 0.8445 0.2434 1.0000 0.6882 5.0386 2.1440 2.7959 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 0.0137 1.5824 0.6521 0.0137 0.7900 3.6866 0.5550 2.0602 5.0392 5.1025 0.0137 0.0137 0.0137 1-methyl-5-imidazolelactate 1.1476 0.6619 3.3339 0.8630 1.8326 3.5177 0.5508 0.6939 1.2434 0.7026 1.0581 0.4234 0.4234 0.4234 0.4234 1.0000 0.4234 0.4234 3.0445 3.4488 2.3417 2.0006 2.3198 1.8672 1.5478 1.0485 0.5415 0.4234 0.9453 0.4234 0.8560 0.4234 0.4234 0.9063 0.4234 0.8009 1.0439 1.6946 1.1129 0.9376 0.7443 1.3257 0.8737 0.5514 0.8013 1.5619 0.4234 0.4234 0.8212 0.4234 0.5581 0.4234 0.4234 1.4185 0.9601 0.7792 1.1502 1.1351 0.5894 0.8136 0.4234 0.4234 0.7163 0.4234 1.1205 0.4234 0.4234 0.4234 0.4234 0.4234 0.4234 1-methyl-beta-carboline-3-carboxylic acid 1.1235 0.1791 0.3237 1.0203 0.1791 0.2683 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 1.0708 0.4830 0.5012 0.2815 0.2097 0.3349 0.2138 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.8365 1.4400 0.2896 0.5839 0.9035 1.0017 1.1684 0.9868 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 1.3621 1.2180 1.2881 1.4970 1.0089 1.0212 1.6151 1.1495 1.0686 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 1.3882 0.9983 0.2509 1-myristoylglycerol (14:0) 0.3386 0.1052 0.3762 0.2707 0.4214 0.2592 0.8943 0.7899 9.6084 1.9645 2.9882 2.9641 2.9515 3.6153 1.8389 0.7925 0.8441 0.7220 0.1184 0.4743 0.1812 0.1217 0.3467 0.5731 0.4691 0.7349 3.1758 0.9224 1.9469 0.6679 2.9307 6.8129 2.0303 3.7841 1.1810 1.8819 0.6928 0.2646 0.2452 0.1052 0.1814 4.8287 1.7662 3.3958 2.9765 4.3641 1.8266 5.5747 4.7802 3.7639 2.4352 0.6256 0.6889 0.5784 0.4340 0.3732 0.2372 0.2308 0.2669 4.7455 1.8373 1.0776 2.0609 4.2766 3.4489 5.3307 3.9645 4.9582 0.6515 1.1443 0.9131 1-myristoyl-GPE (14:0) 1.8417 0.1755 2.1983 0.7516 0.2533 1.0951 0.5034 0.1755 0.1755 1.1365 1.0139 0.4281 0.1755 1.3385 0.1755 0.3885 0.7055 0.4304 1.0000 0.8553 0.5177 0.2526 0.3902 0.1755 0.1786 0.2053 0.3111 0.5469 1.4779 0.3253 0.6861 0.1755 0.1755 0.9902 0.8726 0.7815 2.9968 0.9134 0.4997 0.1755 0.1755 1.8002 2.0102 4.6600 3.9829 1.5354 2.9536 1.7406 1.7304 1.2043 1.6154 0.8374 0.5884 0.7918 0.1755 2.1091 0.1755 0.1755 0.3204 2.4934 3.0355 1.5406 1.3661 3.9468 3.7202 3.2408 1.0605 0.8571 0.4888 1.1558 1.5597 1-myristoyl-GPI (14:0)* 0.1403 0.1403 0.1403 0.1403 0.1403 0.1403 0.6405 0.4987 1.2769 0.3080 1.5467 1.0000 1.0430 1.9118 0.5187 0.1680 0.1403 0.1403 0.1403 0.1403 0.1403 0.1403 0.1403 0.1403 0.5341 1.0202 1.1930 1.2408 1.5763 0.4426 1.4412 1.1209 0.4600 0.3643 0.7202 0.1403 0.1403 0.1403 0.1403 0.1403 0.1403 0.7491 0.5465 1.1812 1.2107 0.8148 0.7193 1.2610 1.7831 1.0788 0.4002 0.1403 0.1403 0.1403 0.1403 0.1403 0.1403 0.1403 0.1403 0.8633 1.2001 0.7178 0.8637 1.1738 1.4044 2.0535 1.5131 1.6806 0.2958 0.1403 0.2256 1-oleoylglycerol (18:1) 0.1584 0.0107 0.0679 0.2564 0.1614 0.0803 0.9556 0.6001 21.1355 1.6757 2.6188 2.7718 2.6716 3.7891 2.1538 0.5406 0.6588 1.0000 0.0203 0.2415 0.0615 0.0390 0.3298 0.8401 0.7043 1.2417 5.3032 0.8014 1.2242 0.5784 1.9714 6.3223 1.5421 2.3153 0.6364 2.9812 0.3978 0.2429 0.2245 0.1741 0.4178 11.3112 1.6836 5.0007 2.4693 2.9068 1.2986 5.8849 3.5972 3.0243 1.2707 0.5160 0.4880 0.8691 0.6894 0.1804 0.9213 1.4020 0.4831 10.1768 1.2326 1.2905 2.9576 4.8175 2.6365 3.5765 4.4240 5.8771 0.3842 0.7991 0.5815 1-oleoyl-GPE (18:1) 0.2733 0.0183 0.8146 0.2910 0.4753 0.5147 1.6242 1.1315 0.5515 5.2923 4.9704 5.2802 10.7503 7.9034 3.9521 0.3999 1.0586 0.8911 0.5610 0.8477 0.4664 0.2524 0.7683 0.2820 0.3628 0.6378 1.1083 5.5670 6.4960 1.7777 10.1193 8.1189 10.5557 0.9579 0.7427 0.8419 0.5433 0.1349 0.1740 0.0545 0.1248 4.5791 5.4532 10.1749 8.6104 8.4755 8.3240 15.7486 11.3123 11.7707 1.0000 0.5370 0.4046 0.4039 0.3008 0.7490 0.2464 0.4103 0.3560 8.1365 6.5726 3.0554 10.3222 14.5523 12.0481 12.7206 12.7635 12.3651 0.4303 0.7363 3.7762 1-oleoyl-GPG (18:1)* 9.3494 0.0417 1.0587 2.0469 0.1079 0.2495 0.1816 0.1401 0.0761 1.5290 2.1039 1.2134 1.3931 2.4156 0.9855 0.3198 0.5045 0.5966 0.2138 0.3916 0.0990 0.0669 0.2759 0.0417 0.0554 0.0895 0.1022 0.9500 1.8045 0.7086 1.4858 0.9469 1.0774 0.6342 0.7270 0.5522 6.0568 1.8049 2.2070 0.3676 0.8082 0.9751 0.7510 2.3002 4.5965 2.0911 2.7390 2.9275 2.2539 2.1519 2.5466 2.2658 0.7996 3.3435 3.1103 4.9715 1.0145 0.7308 0.7273 0.6441 0.9200 0.8318 1.5280 4.4313 4.9195 3.6024 2.8687 2.1000 0.7410 6.6515 2.1825 1-oleoyl-GPI (18:1) 0.0593 0.0463 0.2794 0.1552 0.3279 0.1028 0.4784 0.6327 0.6638 1.2856 1.3570 1.1337 3.0810 2.1195 0.9994 0.4990 0.7585 0.6245 0.2931 0.1911 0.2085 0.1114 0.2080 0.1500 0.4336 0.5344 1.0123 2.4337 2.2589 1.5101 2.9702 3.9280 2.8481 1.8011 2.1110 1.0006 0.0593 0.0463 0.0786 0.1180 0.0627 1.0559 2.2728 1.6785 5.4757 1.8895 3.9696 3.5661 5.2565 3.7878 2.9890 0.7873 0.7142 0.0480 0.0622 0.0465 0.2682 0.2843 0.0991 2.8338 1.5536 1.3960 1.9111 3.0553 4.0731 5.9665 3.8251 3.8241 0.7963 0.6512 1.6708 1-oleoyl-GPS (18:1) 0.0973 0.0973 0.5477 0.2103 0.2986 0.2368 1.0778 0.3296 0.3419 2.3869 4.3418 3.8382 6.9998 8.6994 1.4282 0.2953 0.5879 0.3627 0.4969 0.3543 0.2648 0.0973 0.4613 0.0973 0.2503 0.4930 0.6644 3.5141 6.9671 0.9222 4.9719 2.3240 5.5037 0.5071 0.3928 0.8260 0.0973 0.0973 0.0973 0.0973 0.0973 2.0043 2.8325 8.6146 5.5254 4.5991 5.1875 10.4788 6.3214 7.1415 0.5617 0.5365 0.2672 0.0973 0.3610 0.2600 0.4201 0.4181 0.2824 4.1102 5.5918 1.2290 8.4747 8.4667 7.5006 7.0268 7.1295 5.6207 0.3828 0.6269 5.6058 1-palmitoleoylglycerol (16:1)* 0.0503 0.0503 0.0527 0.0834 0.0503 0.0537 1.0718 0.7417 32.2123 1.1052 4.5571 2.2868 1.6416 3.7552 1.6200 1.4204 1.1120 0.7975 0.0503 0.0503 0.0503 0.0503 0.1189 0.4605 0.2337 0.7473 4.3123 0.4622 0.9993 0.4177 1.2626 3.5573 1.0000 3.3713 0.9824 2.9491 0.3413 0.1480 0.2021 0.0816 0.1311 11.4591 0.9131 5.2847 1.5361 2.8556 0.9705 3.0949 2.7696 1.9895 1.2972 0.4201 0.3894 0.4105 0.4399 0.1167 0.4209 0.6549 0.1692 9.3933 1.0423 0.5439 2.5734 3.4067 2.2765 3.2452 3.5530 3.6751 0.4495 1.0727 0.6193 1-palmitoyl-digalactosylglycerol (16:0)* 0.1660 0.1034 1.0735 0.1381 0.2820 0.3053 0.7078 0.2126 0.3373 3.0583 3.9440 2.2626 0.6388 1.2259 0.3169 0.2413 0.2987 0.2710 1.0234 0.4463 0.5621 0.1039 0.1608 0.1034 0.1999 0.3411 0.3876 3.9185 5.3711 1.3469 2.7189 0.9601 0.9729 1.0598 1.2351 0.9766 1.0409 1.3547 2.0102 0.1393 0.6053 1.1054 1.3056 2.8806 6.1809 4.2034 6.8418 0.6903 3.0510 1.1601 2.6460 1.5235 0.6252 4.2210 4.0899 1.5696 0.9019 0.5457 0.6504 1.0791 1.1795 0.9600 0.8661 3.8913 6.2371 2.8184 0.4386 0.5097 0.5709 2.1493 1.2316 1-palmitoyl-galactosylglycerol (16:0)* 4.6169 0.1124 2.1720 1.2148 0.1676 2.1712 0.3179 0.3148 0.0848 0.6983 1.7845 1.1185 0.0848 0.7619 0.5971 1.1218 1.0166 0.9956 0.3870 1.9822 0.3250 0.0848 0.2810 0.0848 0.0848 0.0848 0.0848 0.3248 0.4246 0.4288 0.5421 0.0848 0.0848 1.6022 0.8778 0.9885 6.7568 4.7857 9.9193 0.6647 1.4556 0.0848 0.2630 1.0999 1.7605 0.8331 1.1955 0.0848 0.5259 0.5654 0.9356 0.9600 0.4717 12.2484 6.4609 11.1334 2.1202 1.0044 2.5799 0.0848 0.3862 1.0526 0.0848 3.0857 2.1697 1.0512 0.8553 0.0848 0.4068 5.1685 1.0465 1-palmitoylglycerol (16:0) 0.3082 0.0957 0.3088 0.2678 0.3299 0.2175 0.6971 0.5077 7.3956 2.0534 2.4572 3.3361 4.4755 4.5172 3.1142 0.5345 0.7759 0.8847 0.0957 0.5001 0.3016 0.1127 0.4215 0.5818 0.4696 0.8119 2.9455 1.2576 1.8673 0.6506 3.7103 8.7998 3.1050 3.4074 0.9243 2.4647 0.5127 0.3034 0.2662 0.1722 0.3138 4.3830 1.5620 3.3695 2.9810 4.3304 2.1190 8.8054 5.1759 4.5735 1.9023 0.6368 0.7405 0.6853 0.4306 0.3342 0.5171 0.5800 0.3659 4.3757 2.1365 1.0757 3.7796 5.0179 4.4622 5.5407 5.7106 8.0353 0.8385 1.4064 0.7965 1-palmitoyl-GPA (16:0) 7.5963 0.1426 2.6125 1.4682 1.9248 2.0235 0.4570 0.2854 0.3719 0.5754 0.5528 0.6569 0.6559 0.8339 0.4539 1.7327 1.9800 0.9038 2.6104 2.3649 1.4078 1.3604 1.1651 0.4578 0.4250 0.7075 0.4203 0.5885 0.7002 0.4244 1.0000 0.8033 0.7981 1.2122 3.4576 1.3563 6.3647 2.0869 2.7847 0.7354 0.9170 0.3712 1.0300 0.8845 2.3469 0.7140 1.5000 0.5630 0.7077 1.3750 8.4233 1.8430 1.4749 6.2386 5.2219 5.6988 1.3478 0.6451 0.8259 0.6538 0.9032 0.7224 0.7420 1.9104 1.3769 1.2645 0.6104 0.7096 2.2061 3.4401 3.0005 1-palmitoyl-GPG (16:0)* 2.4521 0.0111 0.5048 0.6699 0.1640 0.2124 0.2861 0.1741 0.1766 1.6140 1.2943 0.9788 2.3170 2.3588 0.7209 0.4907 0.6479 0.6365 0.2705 0.2741 0.1618 0.1131 0.2472 0.0992 0.0890 0.1240 0.1894 1.0936 2.1350 0.5945 1.8246 1.6432 2.1341 0.9031 1.4604 0.7631 1.2391 0.6285 1.0000 0.2068 0.3754 0.9273 0.9397 2.1721 2.7282 2.5198 2.6683 3.8937 2.5733 2.4477 2.0914 1.1243 0.7850 2.9204 1.8268 1.3137 0.6411 0.2743 0.7067 1.0542 1.1304 0.4833 2.1412 3.4471 3.5278 3.2318 2.8592 2.3248 1.0970 2.0083 1.9038 1-palmitoyl-GPI (16:0) 0.1412 0.0294 0.6143 0.2444 0.6178 0.2371 0.2712 0.5597 0.5444 1.2500 0.7666 1.4804 3.3622 2.9423 1.2014 0.6580 0.9566 1.2861 0.7594 0.4449 0.5421 0.2069 0.2915 0.2266 0.4771 0.3428 0.7237 2.4610 3.1591 1.8161 4.4140 3.9074 3.5550 1.6747 2.8459 1.1777 0.1045 0.0799 0.0885 0.1252 0.0932 0.4864 1.6552 0.8298 5.2740 2.5364 4.6207 3.3838 5.3007 3.8400 2.9144 1.0267 1.0128 0.0796 0.0685 0.0704 0.2788 0.1427 0.1196 1.1443 1.0000 0.9497 1.7987 2.8165 4.7848 8.7009 3.1114 3.4925 1.2674 1.1615 1.4441 1-palmitoyl-GPS (16:0)* 0.0598 0.0598 0.3299 0.0598 0.1038 0.1489 0.5577 0.1750 0.1921 1.8918 2.9320 3.0679 8.7643 9.0292 1.8613 0.0751 0.2728 0.4541 0.2512 0.1647 0.1715 0.0692 0.1193 0.0598 0.2087 0.2921 0.2970 3.8675 5.4943 0.7733 7.7043 5.5580 7.3100 0.3380 0.2605 0.3410 0.0598 0.0598 0.0836 0.0598 0.0598 1.4954 1.7494 4.6605 5.3589 5.2640 7.1526 13.4292 8.0716 9.4320 0.2939 0.2780 0.1552 0.0598 0.0598 0.1367 0.0598 0.0598 0.0598 2.7511 3.1738 1.0000 8.2515 9.4649 7.4252 8.1312 11.6695 7.8341 0.3529 0.3687 2.3901 1-pentadecanoylglycerol (15:0) 0.3942 0.0425 0.1099 0.1394 0.1466 0.3104 0.7311 0.2720 1.0231 1.3232 2.2587 3.2009 2.0349 2.2967 2.3396 0.3544 0.3151 0.4041 0.0425 0.3847 0.1651 0.0425 0.2371 0.1673 0.1053 0.3166 1.1176 1.0506 1.6651 0.6116 1.7287 2.1800 1.2932 1.0263 0.5222 0.6598 2.7275 1.0021 0.9851 0.1051 0.1679 1.5652 1.0000 2.6811 1.0220 2.6423 1.6346 4.1127 1.5632 1.8617 0.5181 0.2439 0.2544 0.9430 0.6936 1.5274 0.1702 0.2580 0.2489 2.2962 2.3619 1.1889 3.4391 5.4018 3.3749 2.5522 3.0318 3.2575 0.3750 0.6785 0.3263 1-pentanol sulfate 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 0.1790 0.0817 0.0426 0.4254 0.8440 3.0409 1.5559 2.2416 1.9311 0.1319 0.6772 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 1.1708 1.1574 0.5505 2.2849 1.2183 2.3297 0.0426 0.1050 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 0.2555 0.2412 1.0944 1.0736 0.8449 1.3612 1.1633 1.0000 0.0426 0.1679 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 0.0426 0.2511 0.2250 0.0426 1.9176 2.6707 2.0865 2.6755 0.9823 1.1968 0.3111 0.1341 0.0426 1-stearoyl-GPA (18:0) 4.9392 0.1052 2.2622 1.5329 1.6638 1.3729 0.2171 0.1052 0.1204 0.1349 0.3025 0.7903 0.8132 1.6382 0.8133 0.8445 0.8326 0.4794 1.3587 1.6591 1.5961 1.1986 0.9748 0.2311 0.2676 0.3742 0.2848 0.2994 0.5679 0.1052 1.5950 1.8999 1.2092 0.2934 0.8733 0.1052 2.9610 1.6195 2.4515 0.5677 1.2251 0.1052 0.8269 0.8894 1.0517 0.1052 0.3235 1.8425 0.6337 1.7695 0.1052 0.7673 0.8492 14.2234 6.2287 5.5177 0.5411 0.3630 0.5526 0.1052 0.9117 0.1052 1.4783 2.9324 1.5577 1.0252 1.2406 1.7203 1.2742 1.4715 0.1052 1-stearoyl-GPG (18:0) 7.1470 0.0390 0.6866 1.3986 0.0775 0.3911 0.2850 0.0988 0.1099 0.9819 1.5945 1.9235 2.5782 2.4895 1.4793 0.1258 0.1361 0.5887 0.1654 0.2503 0.0819 0.0544 0.1788 0.0390 0.0584 0.1587 0.3012 1.0650 1.5124 0.5537 2.0321 2.5701 2.1311 0.2295 0.1897 0.2587 4.3954 1.4076 1.8523 0.1960 0.6094 0.7470 0.9263 2.1592 2.5481 2.2500 1.9150 5.8365 2.8359 2.8099 0.8795 0.8348 0.3454 5.2690 3.5293 3.8667 0.5660 0.2684 0.7401 1.3682 1.5178 0.8015 2.9642 4.2481 3.8833 3.8114 4.1528 5.0002 0.3184 2.9422 1.0181 1-stearoyl-GPI (18:0) 0.2280 0.0253 0.6737 0.3466 0.5202 0.3117 1.9371 0.9052 0.4844 6.4849 3.2127 9.3230 13.3501 9.8971 10.3423 0.2769 0.5821 2.0779 0.8816 0.5841 0.6416 0.2939 0.6178 0.2411 0.6412 1.0618 2.0899 9.8829 8.7767 5.4635 18.0139 16.8892 15.7934 0.7416 0.8162 1.0000 0.1466 0.0974 0.1093 0.1020 0.1824 3.0391 5.9659 3.7376 13.7210 8.3866 14.7596 14.1288 12.2876 12.2800 0.9315 0.4047 0.4217 0.3348 0.2085 0.2582 0.4762 0.2148 0.3309 5.6208 5.6671 4.2416 8.8841 12.3128 14.8828 17.8878 13.4498 15.7238 0.4769 0.5266 1.2604 1-stearoyl-GPS (18:0)* 0.2827 0.0564 1.1768 0.2997 0.5847 0.6762 1.6990 0.6492 0.6020 4.8274 4.6158 11.2672 18.3250 12.6160 8.1936 0.1035 0.2682 0.5065 1.1623 0.7594 0.7781 0.3241 0.7536 0.2505 0.4860 1.0720 1.3893 4.7500 8.4832 1.6037 12.7839 14.6275 15.1690 0.1423 0.1196 0.4322 0.2418 0.1319 0.1825 0.0968 0.3185 3.7940 4.8794 10.7967 7.8513 8.7065 8.1479 20.6129 12.0726 12.8850 0.1124 0.1664 0.1195 0.3675 0.4536 0.3966 0.3785 0.3701 0.3551 5.8802 7.4191 2.8421 15.9134 16.3340 10.2969 11.3422 16.0800 16.7902 0.1421 0.2721 1.0000 2_3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 0.2241 0.2241 0.9630 0.2241 0.2241 0.2241 0.2241 3.1341 0.5217 4.0161 0.2241 2.5939 1.2646 0.2241 1.0118 0.2241 0.2241 0.2241 0.2241 0.2241 1.8924 0.2241 0.7599 0.2241 0.9882 1.7346 0.9489 0.2241 0.5301 3.2300 0.2241 0.2241 2.7705 0.2241 0.2241 0.8664 1.2355 0.2241 0.2241 1.2045 0.2241 1.2792 0.7563 0.2241 0.7649 0.2241 0.7739 0.5133 0.3281 0.5560 0.2241 0.2241 0.2583 4.5914 0.2241 1.1157 0.2241 0.8424 1.4297 2.7291 0.5490 1.6361 1.2418 1.3182 0.3776 1.5854 0.6668 0.6888 0.2241 0.2241 0.2241 2_4_6-trihydroxybenzoate 2.2859 0.2546 1.0000 2.2670 0.6913 1.0329 1.2477 0.9290 0.8007 1.6121 0.9250 0.7522 0.4533 0.9247 0.4552 2.3363 1.7940 2.2132 0.5979 0.7231 0.8656 0.8986 0.7994 0.7974 0.7706 1.0104 0.8783 0.8185 0.9328 1.0848 0.6125 0.8481 0.5748 1.1772 0.5343 1.5579 1.5216 1.3598 1.7486 1.5348 1.3189 1.3218 0.9043 0.7913 1.1883 1.2032 0.9421 0.3208 1.2112 0.6928 1.8489 1.2578 1.7284 2.7921 2.0305 1.6872 3.1303 2.3169 1.7806 1.4328 0.8503 1.7061 0.6047 0.7196 1.0891 0.9616 0.3160 0.9733 1.4980 1.5828 0.5137 2_4-di-tert-butylphenol 0.6514 0.1776 0.9303 0.4102 1.0733 1.2663 0.8948 0.5563 1.0093 1.4028 1.6218 1.6848 1.7134 1.7808 1.3443 0.2232 0.1981 0.2103 0.7544 2.0027 1.0000 0.6317 0.7522 0.2785 0.4186 0.9849 1.3709 1.5306 2.0063 1.0939 2.1178 1.6548 1.3871 0.2238 0.1754 0.3173 0.8077 0.4246 0.4010 0.2695 0.2776 2.6089 1.5891 2.7416 2.1513 1.7100 1.9963 2.3242 1.2010 1.4557 0.1767 0.1870 0.1846 0.3311 0.3267 0.7614 0.1499 0.1833 0.2509 2.0987 1.5497 1.2715 1.9012 2.3848 2.8473 2.5233 1.5885 2.8859 0.1883 0.1949 0.1898 2_8-quinolinediol sulfate 0.1429 0.1082 0.3368 0.1082 0.1082 0.1082 2.4042 0.9043 0.7138 1.6556 0.1996 2.0008 0.1475 0.1082 0.1082 0.1082 0.2571 0.1082 0.1082 0.1082 0.1082 0.1082 0.1082 0.1082 0.1082 0.2602 0.1082 0.1082 0.1082 0.4771 0.1082 0.1082 0.1082 0.1082 0.4593 0.1082 0.3751 0.6755 1.5264 0.1971 0.3903 6.6317 2.7665 5.5167 1.5936 1.1851 5.2968 0.5323 1.4225 1.3899 0.1082 0.1448 0.4105 1.9335 0.5927 0.1381 1.3031 0.6249 0.2057 12.0629 6.3465 7.9492 5.6888 3.1547 4.4221 5.0933 1.0170 0.9830 1.7325 0.1082 0.1082 2-acetamidophenol sulfate 0.1606 0.1980 1.0796 0.1606 1.1746 0.5945 1.3951 1.0000 1.4382 1.1271 0.6452 0.9283 0.1606 0.1606 0.1606 0.1606 0.1606 0.1606 1.0384 0.9827 1.8027 0.5297 0.5094 1.1839 0.4558 0.9808 0.6663 0.1606 0.4106 0.8870 0.1606 0.1606 0.1606 0.1606 0.1606 0.3834 0.1606 0.1606 0.1606 0.1606 0.1606 3.4188 1.1685 1.7926 0.6840 0.9356 1.6165 0.1606 0.8496 0.1606 0.1606 0.1606 0.1606 0.1606 0.1606 0.1606 0.1606 0.1606 0.1606 5.8938 3.9000 4.2878 2.7393 1.5984 2.6130 2.7213 0.1606 0.3404 0.3311 0.1606 0.1606 2-aminophenol sulfate 0.1595 0.1595 1.9088 0.1595 0.2931 0.8365 1.9268 4.2056 2.0549 6.5864 1.0000 3.7475 0.6665 0.1595 1.1438 0.1595 0.4017 0.1595 0.1595 2.1635 0.2459 0.1595 0.8576 0.1595 0.5216 2.1505 1.2493 0.1595 0.9035 2.9087 0.1595 0.1595 0.5760 0.1595 0.7239 0.1937 0.1595 0.1595 0.1595 0.1595 0.1595 4.7048 1.5157 0.6014 0.9894 0.4076 1.2900 0.5775 0.5084 0.3652 0.1595 0.2282 0.1595 0.1595 0.1595 0.1595 0.1595 0.1595 0.1595 10.0472 1.4990 2.6941 2.7194 1.4440 0.1595 3.5385 0.3246 0.3411 1.0631 0.1595 0.1595 2-arachidonoylglycerol (20:4) 0.0132 0.0132 0.1547 0.0132 0.3130 0.2981 1.3232 0.7477 1.0639 6.8576 18.7753 25.3676 38.2483 47.7963 31.5047 0.2737 0.3646 0.3285 0.0132 0.4126 0.1543 0.1495 0.4070 0.2534 0.0132 0.3752 0.7547 3.0472 33.7162 1.0000 29.5399 46.8616 28.1630 1.0693 0.2449 0.5361 0.3449 0.0132 0.2525 0.0171 0.0132 4.9845 3.2098 13.4067 5.8423 26.2885 11.7464 38.7567 28.7544 23.7056 0.2477 0.1206 0.0823 0.1715 0.0132 0.6573 0.0589 0.0132 0.0162 6.5217 7.2083 0.7807 36.4956 33.7461 15.9972 27.9166 30.7057 48.0268 0.0945 0.3444 0.2252 2-arachidonoyl-GPI (20:4)* 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 4.5871 2.5476 0.8359 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.8570 0.4119 0.7329 5.2606 1.5860 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.9457 0.4119 0.4119 6.0560 1.7967 1.0756 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.4119 0.6027 1.0000 0.5634 0.6513 4.2514 4.0560 0.4119 0.4119 0.6537 2^-deoxyguanosine 2.2535 0.0700 0.3376 1.0823 0.3511 0.3462 4.4641 0.4286 0.0988 7.2585 8.2475 11.0437 1.4059 2.4194 0.5349 0.3035 0.2218 0.5019 0.3147 0.3739 0.4139 0.4875 0.8485 0.5755 0.8484 3.0067 0.3220 8.3229 10.6372 3.2343 8.3301 0.2730 2.3034 0.6723 0.0514 0.5411 1.5527 2.3390 1.4525 0.9269 0.6744 4.4633 3.5996 10.6165 3.5284 3.2826 8.4845 0.2841 5.0726 1.2607 0.2317 0.2818 0.3184 1.1758 0.8790 1.4366 0.7880 1.0430 1.0000 9.8507 10.7688 4.7571 8.4225 5.2592 9.7743 1.7945 0.3982 0.5048 0.0459 0.1961 0.0179 2^-deoxyinosine 1.1600 0.0502 0.1852 0.7625 0.2110 0.2015 3.1953 0.2867 0.0512 5.3787 6.1667 7.4828 2.4599 2.2378 1.0297 0.2257 0.1403 0.2254 0.2346 0.2710 0.2977 0.3585 0.5840 0.4030 0.5746 2.1445 0.2201 6.0569 8.2357 2.3154 6.1158 0.9861 2.0233 0.4373 0.0280 0.4266 0.9336 1.8520 1.3038 0.6501 0.5708 3.6453 2.8479 8.9228 2.9380 2.1436 6.6354 0.8877 5.2289 1.5415 0.1666 0.2468 0.2614 1.5156 1.1172 1.0481 0.7242 1.0000 0.7335 8.1023 9.5955 3.9501 8.8759 4.7606 7.9915 1.6013 0.8658 1.1864 0.0430 0.1605 0.0146 2^-deoxyuridine 2.9177 0.3797 0.3583 1.5432 0.6260 0.3174 0.7781 0.0438 0.0213 1.1794 1.0807 3.9183 3.5829 1.9408 1.9791 0.9949 0.5637 0.8631 0.3896 0.5255 0.6711 0.2752 0.4856 0.6322 0.1022 0.3784 0.0386 2.6600 2.8464 0.2740 3.8677 3.2521 1.5266 0.4378 0.0922 0.7863 1.5819 2.7778 1.8410 0.8853 0.8155 1.5522 1.0474 4.2973 1.0535 0.8230 1.5549 2.6061 4.1734 1.5215 0.2748 0.6425 0.5845 1.9365 1.5289 1.4130 0.6450 0.7232 0.9784 3.5022 4.5320 2.2678 7.7994 2.4265 3.0164 1.0000 2.1475 2.7412 0.0460 0.4831 0.0752 2-dihomo-linoleoylglycerol (20:2)* 0.2340 0.0851 0.2596 0.2191 0.4182 0.3071 0.5059 0.1467 2.9733 3.9594 4.7691 9.0352 7.4388 16.1561 8.0733 0.2636 0.5105 0.5403 0.1895 0.3804 0.2560 0.1504 0.6590 0.4757 0.0851 0.3542 1.0000 1.6248 8.4413 0.7041 9.5718 12.4633 5.9977 1.1304 0.2601 1.7515 0.0851 0.0851 0.0851 0.0851 0.2765 6.1150 3.4003 10.7522 6.1068 12.3572 5.9817 13.0817 12.6774 8.5792 0.7836 0.4755 0.3325 0.6900 0.2540 0.0851 0.3089 0.3197 0.1757 6.8974 5.0805 1.1257 10.1945 16.6803 11.8706 17.8228 12.3351 20.8410 0.2458 0.7510 0.4747 2-docosahexaenoylglycerol (22:6)* 0.0276 0.0290 0.0276 0.0823 0.4493 0.2082 0.6970 0.3951 2.3072 3.1159 9.6060 9.1365 7.5788 11.0360 4.3059 0.7693 0.8703 0.4541 0.0276 0.3060 0.0276 0.0997 0.4715 0.3607 0.0907 0.5183 0.9232 1.7895 10.2073 0.6083 6.8742 8.7810 7.1695 1.4679 0.5943 1.0218 0.0276 0.2463 0.1438 0.0276 0.0276 5.7916 2.7204 6.3369 3.0177 8.8374 4.4155 7.6770 6.2720 5.2819 0.5886 0.4488 0.3330 0.1632 0.0276 0.1636 0.0276 0.2228 0.0276 5.4074 3.8573 0.8741 9.2747 9.1434 6.8126 7.7895 5.9888 9.0385 0.2056 0.9782 0.3998 2-eicosapentaenoylglycerol (20:5)* 0.0563 0.0563 0.0563 0.1519 0.3265 0.2743 0.0563 0.0563 0.3381 1.0039 2.3966 4.7501 4.3565 6.2259 3.0255 0.3452 0.1964 0.0742 0.0563 0.0563 0.0563 0.0563 0.2666 0.0872 0.0563 0.0700 0.0563 0.4411 5.7534 0.0740 3.3185 5.0677 2.8492 0.7694 0.2366 0.4521 0.0563 0.0778 0.0563 0.0563 0.0563 1.1304 1.0226 2.2853 0.9961 3.5155 1.4053 5.4406 4.5962 3.4960 0.5206 0.2672 0.1659 0.0563 0.1018 0.0563 0.0563 0.0563 0.0563 1.6560 1.9559 0.1894 6.7571 8.1512 2.4381 3.2082 5.0379 7.3847 0.2071 0.4780 0.1158 2-heptadecenoylglycerol (17:1)* 0.1240 0.1240 0.1412 0.1897 0.5341 0.4607 0.3796 0.2103 2.3929 2.0090 3.5113 3.0804 2.7889 4.7086 2.3654 0.9880 1.0542 0.9859 0.1240 0.5210 0.3147 0.1627 0.8481 0.3740 0.1240 0.2007 0.7773 1.0000 3.9706 0.6905 2.7137 2.9791 1.5267 1.3836 0.8468 2.5273 1.2323 0.3923 0.5564 0.1240 0.3616 6.2733 1.3860 5.3211 1.8733 5.3293 2.6542 2.5659 4.0057 2.4247 0.6103 0.5497 0.5180 0.7983 0.5208 0.5265 0.1240 0.3608 0.2372 4.2444 0.1240 0.4899 3.2239 3.5633 4.2882 5.3056 2.1684 2.8566 0.5415 1.8907 0.4504 2-hydroxy-3-methylvalerate 1.7159 0.2845 2.4258 1.3544 0.2845 1.2566 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.8971 0.4351 0.2845 0.9245 2.1983 0.8143 0.3773 0.9516 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 1.4870 0.4452 0.2845 0.7571 0.8418 1.0953 0.8104 0.8919 0.3458 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 4.2891 5.1292 6.3344 1.0484 0.8985 1.5257 1.5941 1.3559 0.2845 0.6179 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 1.5243 6.9207 0.3873 2-hydroxydecanoate 1.2398 0.5768 0.7396 0.8916 0.8433 0.7077 0.7634 0.9478 0.5020 1.0360 1.4434 1.4409 1.1987 1.6489 1.4493 1.1010 0.6479 1.0085 1.1796 1.1022 0.5646 0.5945 0.9750 0.7595 1.1311 0.6050 0.8546 0.9246 1.3736 0.8810 1.3935 2.1983 1.1900 0.5163 0.7154 0.5020 0.6324 0.5865 0.9981 1.0610 0.5102 0.9362 0.5020 0.5020 0.9326 0.8575 1.2626 1.9750 1.6217 2.2568 1.0872 1.4821 1.0790 0.9038 1.0019 1.1804 0.8276 0.7964 1.0095 0.7039 0.7353 0.5020 1.6717 0.5020 1.2683 1.7120 1.6523 2.0858 0.9680 1.4539 0.7063 2-hydroxyhippurate (salicylurate) 0.2297 0.2297 0.6799 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.7931 1.1016 2.4887 0.2297 0.2297 0.3044 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 3.9751 1.8843 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.8620 1.4547 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.2297 0.8984 0.2297 0.2297 2.6445 0.2297 0.2297 2-hydroxymyristate 1.2792 0.1460 0.1460 0.6411 0.3797 0.1460 0.8707 0.5156 0.6168 1.4921 1.1608 1.2239 1.0457 1.2781 1.2244 0.1460 0.5797 1.1304 0.4705 0.3768 0.3235 0.3138 0.4476 0.2814 0.3844 0.5909 0.7609 0.8087 1.7080 0.6752 1.3768 1.2791 0.9039 1.4357 0.9107 1.3926 1.7364 0.8986 1.1512 0.7149 0.9058 0.6886 0.7088 1.3941 1.3384 1.4036 1.0950 1.0916 1.2214 1.4636 1.7055 1.0850 0.7717 1.5547 0.9658 1.8073 0.7531 0.5109 0.8102 0.7736 1.4481 0.1460 1.0342 0.1460 1.3644 1.6735 1.2848 1.3662 0.7790 1.3108 0.8460 2-hydroxyoctanoate 0.9534 0.6739 0.5168 1.6660 0.9098 0.9482 1.0000 1.1005 0.5168 0.5168 1.7576 1.3624 1.2706 1.4199 1.3297 0.9685 0.5168 1.0362 1.5719 0.8724 0.8300 0.8133 1.5082 0.6332 0.9433 0.5168 0.5659 0.5168 0.8707 0.5168 1.0808 2.5787 1.3961 0.7431 1.1397 0.5168 0.7183 0.5168 1.1288 0.9673 0.9015 0.7956 1.2504 0.8480 1.1421 0.5517 1.5312 1.4820 1.2578 1.3989 0.9885 1.1948 1.5745 0.5168 1.0253 1.2342 0.7078 0.5168 0.6873 0.5667 0.8920 0.6300 2.4177 0.8269 0.9563 0.5168 1.2824 1.2835 0.9277 1.7524 0.5168 2-hydroxyoleate 1.5078 0.1803 1.0679 0.8589 0.3054 1.0016 0.1803 0.1803 1.0209 0.7800 0.1803 0.4806 1.5097 1.9593 2.8170 0.3998 0.4128 0.6502 0.2661 0.1803 0.3140 0.4758 0.1803 0.1803 0.1803 0.1803 0.1803 0.1803 0.8483 1.7494 1.7844 2.9544 0.9535 1.2073 0.4863 1.5842 2.5239 1.7759 1.5862 0.4532 1.6030 0.1803 0.1803 0.8415 0.1803 0.8457 0.1803 2.9983 2.5375 2.8802 0.9419 0.3522 0.2904 1.8977 1.9847 1.9250 1.0000 0.1803 1.1832 0.6070 0.9104 0.6841 0.1803 1.4945 0.9664 1.7851 2.4097 5.1456 0.2724 0.4927 0.3682 2-hydroxypalmitate 1.0338 0.0791 0.8188 0.3630 0.3512 0.5977 1.1382 0.8855 0.7826 3.3554 2.9780 3.4833 1.7955 1.4550 2.9739 0.3627 0.3920 0.6908 0.2684 0.4301 0.3288 0.1478 0.3069 0.1376 0.4003 1.0000 1.9739 2.5983 4.1433 1.4733 2.5949 0.9627 1.2066 0.4429 0.3061 1.7468 1.8760 0.6056 0.8538 0.2545 0.7737 0.6288 1.0950 3.7194 1.8388 1.5727 2.5670 1.2235 1.4170 2.0541 0.8225 0.7208 0.4555 1.4591 0.7164 1.7577 0.2975 0.2153 0.7157 1.8779 4.8836 1.4588 1.7876 2.3465 2.9637 2.6313 1.6981 2.3524 0.2101 0.8287 0.3200 2-hydroxysebacate 4.2673 0.5002 3.3869 3.7367 1.5251 2.4780 0.9683 1.1291 0.9717 0.9964 0.6391 0.9835 0.2872 0.2826 0.6711 0.5495 0.5999 1.2556 2.8284 3.0674 2.5264 1.6428 2.2066 1.5651 1.2472 0.9666 0.8379 0.6873 0.4897 1.0000 0.4712 0.1793 0.5885 0.6232 0.2188 0.9762 3.1105 3.5045 3.2660 3.2071 3.3915 1.0695 1.0989 1.0641 1.1194 0.5219 0.9746 0.2854 0.3324 0.5514 0.4744 1.2798 1.4513 3.7809 3.3326 3.5809 3.1524 3.1049 3.4990 1.3743 0.7871 1.5339 0.4900 1.1606 0.8694 0.4424 0.4728 0.2242 0.4342 1.2941 0.1977 2-hydroxystearate 0.7522 0.0857 0.9912 0.4553 0.5244 0.7343 0.6625 0.6188 0.4381 1.7475 1.7732 2.1908 1.9898 1.3826 3.3492 0.3791 0.4330 0.7093 0.5103 0.8271 0.6432 0.3106 0.5200 0.2362 0.2681 0.6370 1.4866 1.5638 2.7326 0.9738 2.3569 1.6275 1.6153 0.8215 0.4844 1.5842 2.5877 1.1908 1.4732 0.4411 1.2331 0.4545 0.9075 1.7615 1.2763 1.3280 1.6465 1.4745 1.5854 1.8997 0.8739 0.6576 0.4210 2.0881 1.2786 1.6995 0.3850 0.2061 1.1108 0.8915 2.8201 1.2199 1.0000 1.7503 1.5050 2.2572 1.6531 2.3827 0.2779 0.6324 0.4744 2-linoleoylglycerol (18:2) 0.0445 0.0193 0.1401 0.1710 0.5298 0.5091 0.7627 0.3463 4.0420 2.9858 5.7427 4.3891 3.4952 5.2766 2.4826 1.2268 1.4698 0.9933 0.1464 0.6789 0.3332 0.1974 0.7656 0.4732 0.0923 0.2592 1.0000 1.2031 4.3452 0.6804 3.7009 4.6558 2.7653 1.8197 1.0150 2.0921 0.5943 0.4647 0.5413 0.1518 0.3338 6.9976 1.7030 6.7065 2.4111 5.6682 2.3594 4.0163 4.3346 2.8580 0.7365 0.6318 0.3778 0.6238 0.3393 0.3371 0.2811 0.5313 0.2391 5.7182 2.5752 0.6443 5.8159 5.6987 4.1786 4.5967 3.0814 5.1450 0.5265 1.6899 0.5381 2-methylcitrate/homocitrate 1.7172 0.0855 2.8654 1.3896 0.0855 1.6861 0.3141 0.7722 0.0855 0.8267 0.2327 0.5116 0.8462 0.5815 0.6711 0.8208 0.5829 0.4133 2.1118 2.2859 0.0855 0.9805 1.1309 0.0855 0.7080 0.0855 0.0855 0.2859 1.0237 0.7290 1.0078 1.8530 0.7831 1.7686 1.6765 1.1469 4.9393 5.0387 4.8437 1.3783 1.6385 0.6503 0.6153 0.5633 0.7648 0.8301 0.5781 1.0809 2.2074 1.0000 2.3370 1.1608 0.4664 3.8744 5.6492 7.3529 1.1965 0.9749 1.9191 0.5415 0.3756 0.5691 0.4765 0.4394 1.5341 0.8389 1.0116 1.2688 1.0598 1.2841 0.4198 2-myristoylglycerol (14:0) 0.4077 0.0893 0.3866 0.3061 0.6096 0.5247 0.4452 0.2139 3.4512 3.1373 5.4290 6.0991 4.8402 7.8488 2.6282 0.8852 0.9905 0.4762 0.1863 0.5414 0.3066 0.1581 0.7180 0.4720 0.0946 0.3011 0.9620 1.2068 6.6123 0.5278 6.7978 9.1131 3.9249 2.1586 0.9561 1.7785 1.1487 0.4762 0.3863 0.0893 0.1819 6.2099 2.9746 7.7260 7.3676 11.3590 3.9268 7.3072 9.9740 5.5155 2.1511 1.0095 0.7876 0.6850 0.4876 0.6519 0.1244 0.1352 0.2395 5.7610 3.3719 0.6871 3.8215 8.9791 9.6452 13.8694 5.3594 10.4658 0.6870 1.8733 0.9568 2-oleoylglycerol (18:1) 0.1958 0.0108 0.3298 0.3064 0.6289 0.3760 0.6058 0.1609 9.2390 2.7612 5.6042 4.5511 3.6519 6.1258 1.9118 0.6499 0.8539 0.8719 0.1766 0.4999 0.2717 0.1788 0.9492 1.2721 0.1713 0.6104 1.7320 1.0776 4.0342 0.5288 3.7744 5.7297 2.4852 1.2165 0.4854 2.6796 0.5142 0.3254 0.2821 0.1539 0.3854 14.8764 2.8157 10.8895 5.4248 6.6316 2.7887 5.0692 5.6053 3.5468 1.0804 0.7988 0.5761 0.6422 0.5163 0.2305 0.4231 0.6239 0.3204 11.8852 2.5017 1.0000 4.8019 6.9913 5.9650 5.8512 4.5052 6.1235 0.3171 1.2971 0.5720 2^-O-methyluridine 0.2065 0.6641 3.0805 0.1874 1.3495 2.5110 0.5498 0.3385 0.2471 0.8699 0.6048 0.3848 2.2268 2.4275 2.8968 1.7981 1.6567 0.5169 2.4907 2.1699 1.9949 1.7288 1.8110 1.5802 0.1986 0.4567 0.2735 1.6471 1.2380 0.4073 2.1670 1.6052 2.8874 1.3577 0.1867 2.2446 0.2385 0.0611 0.0796 0.0381 0.0425 0.8261 1.0254 0.9524 1.5410 1.7052 0.8824 2.1754 2.0752 4.0852 0.4790 0.9472 1.2045 0.0381 0.0400 0.1769 0.0381 0.0381 0.0381 0.8246 2.0099 0.8943 0.2598 1.0607 1.0000 2.6283 4.3030 3.2160 0.8360 0.5579 0.1264 2-oxindole-3-acetate 1.9003 1.5144 11.1352 1.9502 3.7473 8.0861 0.6236 0.7809 0.6421 0.8944 0.7268 0.3988 0.2638 0.2247 0.2317 1.6174 2.0487 1.1073 8.4183 14.0455 6.9386 4.9800 9.6274 4.1752 1.0811 0.6605 0.5037 0.7879 0.4844 0.8473 0.5940 0.1519 0.5374 2.0572 0.6111 2.2057 8.0042 2.6735 2.6368 10.8988 1.9394 1.5237 0.8186 0.9054 0.5908 0.6188 1.5309 0.1068 0.3101 0.8966 1.8272 0.9823 6.8414 3.9051 1.7295 2.0495 5.1084 4.0032 2.6878 1.0306 0.5254 0.7378 0.3333 0.3865 0.4718 0.3425 0.1331 0.0812 1.0754 1.0000 0.2418 2-oxoadipate 2.6195 0.3061 1.8007 1.8895 0.6955 0.7388 0.7209 0.7004 1.1290 0.2282 0.4064 0.2200 0.2200 0.2200 0.2200 0.2200 0.7812 0.9164 1.1885 0.9576 1.1970 0.8802 0.4747 1.2265 1.4622 0.7723 0.6775 0.5816 0.2200 0.3498 0.2200 0.2200 0.2200 0.8877 3.9802 1.5824 1.2622 1.8574 1.9861 2.3150 1.8144 1.3601 0.3682 0.6131 0.6016 0.2200 0.5974 0.2200 0.2200 0.2200 1.5209 1.0424 1.4586 1.7827 1.9615 1.5973 1.6485 1.8703 2.0363 0.7828 0.2200 0.8506 0.2200 0.2200 0.2200 0.2200 0.2200 0.2200 1.6456 0.9574 0.3102 2-palmitoleoylglycerol (16:1)* 0.0426 0.0426 0.2629 0.1300 0.2345 0.1705 0.3916 0.1164 13.0749 1.3324 7.9743 3.6663 2.3132 6.8608 1.2273 1.8009 0.9399 0.3746 0.0635 0.0426 0.1001 0.0426 0.3400 0.6183 0.0511 0.2579 1.4436 0.5040 3.2494 0.2676 2.3839 3.3704 1.5782 1.2997 0.7515 2.5033 0.4223 0.1275 0.1314 0.0544 0.1287 14.3684 1.5941 11.2553 3.7011 6.6103 1.7131 2.8513 4.6700 2.4406 1.0601 0.7114 0.4659 0.3559 0.4148 0.0954 0.0994 0.1625 0.1056 10.5250 1.7469 0.3918 3.9689 5.8965 5.2032 5.2586 4.4045 3.8538 0.3276 1.3821 0.5190 2-palmitoyl-galactosylglycerol (16:0)* 7.3452 0.0643 3.0527 2.0293 0.1745 1.7199 0.0458 0.0458 0.0458 0.4653 0.6075 1.3702 0.0458 0.0458 0.0458 0.6209 0.6628 0.8562 0.2332 1.3306 0.0458 0.0458 0.3347 0.0458 0.0458 0.0458 0.0458 0.0458 0.0458 0.0458 0.6368 0.0458 0.0458 0.2181 0.1399 0.0458 6.4227 4.8386 8.3607 0.7767 1.7509 0.0458 0.0458 0.5683 3.4761 0.7540 1.6974 0.0458 0.0458 0.0458 0.8528 1.9806 0.5191 15.7365 10.9752 10.5087 1.6192 0.5143 3.3737 0.0458 0.0474 0.6772 0.0458 3.7847 4.1327 1.1438 0.6664 0.0458 0.2327 4.7259 1.9307 2-palmitoylglycerol (16:0) 0.2672 0.0879 0.3127 0.2189 0.4848 1.2333 0.2913 0.1019 2.3541 2.1520 3.4244 4.5600 5.1090 6.1736 2.5720 0.9166 0.8324 0.8076 0.1739 0.8037 0.2716 0.1257 1.0253 0.9747 0.0879 0.2566 0.6803 1.0523 4.4826 0.7097 5.4936 8.4648 4.4327 2.5509 0.8547 3.6708 0.8805 0.5934 0.2946 0.1602 0.2647 7.7744 2.0436 6.2276 5.5478 8.9453 3.9496 8.6297 7.5789 4.7610 1.5776 0.8986 0.7626 0.6436 0.4421 0.4827 0.2542 0.2746 0.3275 6.9736 2.2949 0.6221 3.2448 7.6080 7.4076 9.1012 6.2949 10.9415 0.8978 2.3840 0.7622 2-stearoyl-GPE (18:0)* 0.1594 0.0375 0.8720 0.2131 0.6667 1.0535 2.3893 1.2015 0.4727 8.2897 4.1174 11.3741 12.5792 8.8511 8.1559 0.0371 0.2219 0.7076 0.7736 0.7518 0.7855 0.2698 1.0000 0.2598 0.7464 1.2479 1.9390 8.3560 4.9468 5.1774 15.7274 11.9272 14.6559 0.2378 0.1368 1.0989 0.2283 0.1054 0.0788 0.0654 0.1448 7.6029 7.4741 6.6251 13.6267 5.8859 0.0371 21.0902 12.1332 11.0689 0.1302 0.0599 0.0543 0.1954 0.1749 0.1478 0.2437 0.3187 0.2446 13.6027 10.9809 5.4628 10.8567 8.0168 0.0371 10.0008 21.0468 10.8599 0.0895 0.1390 0.6895 2-stearoyl-GPI (18:0)* 0.0633 0.0519 0.2737 0.1518 0.1520 0.0854 1.0000 0.4394 0.1727 2.2186 1.2380 2.9726 4.5521 2.0201 3.7937 0.0770 0.1936 0.9377 0.3752 0.1846 0.2154 0.0574 0.1253 0.0519 0.3705 0.5241 1.1118 4.7013 2.0718 2.5652 5.3689 5.4144 5.0941 0.3758 0.3498 0.4081 0.0519 0.0519 0.0519 0.0519 0.0519 1.2214 2.0386 1.0604 3.5551 1.5514 5.0970 4.4195 2.9790 3.7492 0.4326 0.1203 0.1365 0.0519 0.0748 0.0628 0.2590 0.0747 0.0519 2.1963 2.2753 2.0089 3.2515 3.2354 4.8818 5.1847 3.8529 4.3428 0.1561 0.1670 0.4009 3-(3-amino-3-carboxypropyl)uridine* 0.4034 0.4952 3.9695 0.4034 1.9000 2.7113 0.4034 1.0119 1.6933 1.0497 0.9209 0.4034 0.4034 0.4034 0.4034 0.4192 0.6984 0.4034 3.8580 2.4285 3.0436 2.4206 1.9541 2.0675 1.0680 1.5419 0.6477 0.5110 0.6774 0.7751 0.4034 0.4034 0.4034 0.6936 0.4034 1.1392 0.4034 0.4034 0.4034 0.4034 0.4034 1.7676 1.1466 0.8847 0.8952 1.3990 0.6418 0.4034 0.5924 0.4034 0.4034 0.4034 0.4034 0.4034 0.4034 0.4034 0.4034 0.4034 0.4034 0.9881 0.8191 0.5514 0.4034 0.4034 0.8686 0.4034 0.4034 0.4034 0.4034 0.4034 0.4034 3-(3-hydroxyphenyl)propionate 7.4069 0.0222 3.4012 4.2577 0.0222 1.4807 0.0348 0.0222 0.0222 0.0222 0.0222 0.0825 0.0222 0.0222 0.0222 1.2897 0.7103 2.1484 0.0222 0.3169 0.0222 0.0222 0.0785 0.0222 0.0222 0.0222 0.0222 0.0222 0.0304 0.0222 0.0222 0.0222 0.0222 0.1072 0.0222 0.0939 45.0021 34.8619 51.5217 28.8339 29.7447 0.0761 0.0754 0.1279 0.0784 0.0222 0.0222 0.0240 0.0222 0.0812 3.5783 11.1180 13.3901 62.3704 46.3029 45.2268 43.4355 39.4546 31.6007 0.1075 0.0942 0.1061 0.0602 0.0345 0.0222 0.1438 0.0517 0.0292 4.4934 16.5619 1.5128 3-(3-hydroxyphenyl)propionate sulfate 0.0710 0.2486 2.4902 0.0088 0.6146 0.8049 1.1138 1.8853 2.1671 6.6302 0.9253 3.4554 1.2226 0.2752 1.0357 0.1028 0.4652 0.2322 0.7993 0.3801 3.3892 0.4717 0.1596 1.9190 0.6624 2.5760 1.2182 0.1929 1.7790 2.7616 0.1267 0.2293 1.4655 0.1218 0.5490 1.3111 0.2054 0.5603 0.8164 0.2089 0.4151 7.9029 2.8478 1.7212 1.8377 1.0000 3.5113 0.6210 1.5784 1.5140 0.0466 0.7938 0.8013 1.5889 0.7409 0.3257 1.0503 0.6294 0.3545 15.5377 3.8627 4.0033 5.5890 2.7571 2.1702 7.2188 1.3199 1.1808 1.6869 0.5619 0.2635 3-(4-hydroxyphenyl)lactate 0.0920 0.3510 1.3357 0.0920 1.1341 1.0568 0.2743 0.6973 0.7527 0.7626 0.5975 0.1715 0.3733 0.3088 0.2235 0.8633 0.9314 0.0920 3.7759 3.2601 1.6598 2.5572 2.3696 1.1290 1.2895 0.6426 0.6074 1.0000 0.6233 0.7145 1.0029 0.6189 0.5002 1.6854 0.6806 0.9015 0.2279 0.2275 0.4152 0.5122 0.6923 4.4699 2.9939 3.6822 3.2789 1.6184 4.2239 1.0150 0.9384 1.9004 3.5910 8.3253 9.2508 0.1410 0.2287 0.1098 0.6011 1.0416 0.2248 3.6459 4.3302 4.4388 2.4796 2.4223 2.0299 3.6872 0.7758 0.6372 10.2543 2.9857 1.9616 3-(4-hydroxyphenyl)propionate 22.0017 0.0213 2.9200 9.9242 0.0213 1.1658 0.0862 0.0213 0.0213 0.0213 0.0213 0.0213 0.0213 0.0213 0.0213 1.2233 0.1991 2.2631 0.0213 0.8342 0.0213 0.1209 0.3622 0.0213 0.0213 0.0213 0.0213 0.0213 0.0213 0.0213 0.0213 0.0213 0.0213 0.5463 0.5775 0.2596 27.4494 19.5255 28.9136 13.8753 11.7344 0.2997 0.2442 0.2158 0.1280 0.1074 0.1433 0.0213 0.0213 0.0213 2.3736 4.3964 4.9804 32.1922 24.7232 24.3592 20.6273 17.6090 11.1799 0.2643 0.1502 0.2892 0.0632 0.1173 0.0213 0.0213 0.1226 0.0213 2.8514 7.5218 0.6395 (3^-5^)-adenylyladenosine* 0.0204 0.0204 0.0204 0.0204 0.0204 0.0204 0.0204 0.0204 0.0204 0.9690 0.0204 1.1716 1.7530 2.6523 1.6206 0.0204 0.0204 0.0496 0.0204 0.0204 0.0204 0.0204 0.0204 0.0204 0.0204 0.0204 0.0204 0.8405 2.2239 0.0204 3.0783 0.7596 2.4938 1.0000 0.0204 0.0204 0.1842 0.7065 0.5039 0.0204 0.0531 0.0204 0.0204 1.0700 1.2098 0.0204 2.4147 1.0561 2.8828 2.8417 0.0204 0.0204 0.0204 0.2570 0.1511 0.5756 0.2363 0.1528 0.0844 0.6811 0.9938 0.0204 0.2081 1.2045 2.4585 3.5227 2.1339 2.3436 0.0204 0.0204 0.0204 (3^-5^)-adenylylcytidine 0.0500 0.0500 0.3711 0.0500 0.0500 0.8617 0.0500 0.0500 0.0500 0.6643 0.3411 4.5848 3.7468 5.0587 3.5287 0.1248 0.0500 0.0837 0.0500 0.0500 0.0500 0.2238 0.4607 0.0500 0.0500 0.0500 0.0500 0.5101 4.6417 0.0867 7.0150 1.7670 4.7984 1.6014 0.1856 0.0500 0.9317 1.6418 0.9590 0.0500 0.0500 0.5677 0.6952 2.4738 8.7073 10.3459 4.1538 2.4153 12.4575 5.8838 0.0500 0.0500 0.0500 0.3972 0.2574 2.3198 0.3327 0.2825 0.2179 0.7693 1.0410 0.5408 0.4238 6.2151 7.6016 10.3298 5.0929 5.9620 0.0500 0.0500 0.0500 (3^-5^)-adenylylguanosine* 0.0523 0.0523 0.3700 0.0523 0.0523 0.9876 0.0523 0.0523 0.0523 0.9790 0.4841 3.6770 2.8380 4.2914 2.6550 0.1485 0.0523 0.1430 0.0523 0.0523 0.0523 0.2826 0.5449 0.0523 0.0523 0.0523 0.0523 0.7480 5.9774 0.1498 6.5131 0.9450 3.6119 1.5333 0.0827 0.0523 0.4991 1.6908 0.8736 0.0523 0.0523 0.8863 1.0000 3.1385 3.8953 2.1575 6.4454 1.4507 9.1787 4.0528 0.0711 0.0523 0.0523 0.4382 0.1710 1.9612 0.3352 0.3337 0.1459 1.1955 1.6409 0.7931 0.2263 3.8820 7.6898 9.0283 3.2118 4.0406 0.0523 0.0523 0.0523 (3^-5^)-adenylyluridine 0.0539 0.0514 0.2974 0.0514 0.0514 0.8344 0.0707 0.0514 0.0514 0.4831 0.3194 6.6368 3.8565 4.0333 2.6458 0.2074 0.0514 0.1751 0.0514 0.0519 0.0514 0.2433 0.4794 0.0514 0.0514 0.0514 0.0514 0.2517 6.7120 0.0518 5.3500 0.9538 2.7681 2.3885 0.2633 0.0868 0.9763 2.3734 1.5075 0.0608 0.0790 1.0857 1.2193 4.3422 8.1018 11.2487 4.5777 2.0379 13.5839 4.1849 0.2258 0.0994 0.0514 1.4368 0.7900 2.3324 1.0000 0.5790 0.2123 1.0689 1.4129 0.8616 0.8265 8.9450 7.1418 6.3076 4.2024 3.9774 0.0514 0.0821 0.0514 (3^-5^)-cytidylyladenosine 0.2313 0.2313 0.7697 0.2313 0.2313 1.6247 1.0306 0.2313 0.2313 1.9449 1.1288 0.5581 0.2313 0.2313 0.2313 0.2313 0.2313 0.2719 0.2313 0.6074 0.2313 0.6694 1.2184 0.2313 0.2313 0.7744 0.2313 2.0145 0.2313 1.0331 0.2909 0.2313 0.2313 0.2313 0.2313 0.2313 3.0984 4.7531 3.8581 0.4771 0.4945 0.7295 0.7021 1.0000 0.2313 0.2313 0.6214 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 2.5934 1.4435 7.2700 0.9020 0.4845 1.1551 1.4221 1.4104 1.3784 0.9489 0.2313 0.6652 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 (3^-5^)-cytidylylcytidine* 0.0776 0.0776 0.4198 0.0776 0.0776 0.8353 0.0776 0.0776 0.0776 0.0776 0.0776 1.7115 1.2901 0.8943 0.7756 0.0776 0.0776 0.2780 0.0776 0.1134 0.0776 0.2323 0.6576 0.0776 0.0776 0.0776 0.0776 0.0776 0.9933 0.0776 1.9991 0.3665 1.1416 0.8221 0.0776 0.0776 2.6473 3.4763 2.5307 0.3195 0.5496 0.0776 0.0776 0.8296 1.1250 2.5639 1.2641 0.5585 3.9370 1.5966 0.0776 0.0776 0.0776 1.0582 1.0067 5.5794 0.5757 0.4762 0.9550 0.0776 0.2865 0.0776 0.0776 2.4741 3.0105 2.8312 1.2276 1.7967 0.0776 0.0776 0.0776 (3^-5^)-cytidylylguanosine 0.2456 0.2456 0.8066 0.2456 0.2456 1.4155 0.2456 0.2456 0.2456 0.2456 0.2456 0.2456 1.0259 1.1166 1.0000 0.2456 0.2456 0.2903 0.2456 0.2456 0.2456 0.5133 1.5461 0.2456 0.2456 0.2456 0.2456 0.2456 1.9951 0.2456 1.1511 0.3843 0.7950 0.2456 0.2456 0.2456 3.4359 6.0217 4.1073 0.2971 0.5382 0.2456 0.2870 0.8313 0.2456 0.2456 1.5978 0.5908 0.2456 1.4292 0.2456 0.2456 0.2456 1.9788 1.2856 8.8041 1.0570 0.7959 0.9162 0.2456 0.3221 0.2895 0.2456 0.9650 0.9931 0.2456 1.4921 1.5749 0.2456 0.2456 0.2456 (3^-5^)-cytidylyluridine* 0.1729 0.0886 0.3503 0.0886 0.0886 0.9448 0.0886 0.0886 0.0886 0.0886 0.0886 2.1284 1.0354 1.4466 0.8810 0.1579 0.0886 0.2491 0.0886 0.0886 0.0886 0.2542 0.7537 0.0886 0.0886 0.0886 0.0886 0.0886 2.1674 0.0886 2.8439 0.4786 1.2107 1.3487 0.1020 0.0886 2.6977 5.7730 4.3821 0.3666 0.7436 0.2367 0.3533 0.9976 3.6913 6.5102 2.1652 0.5103 7.9119 1.8146 0.0886 0.0886 0.0886 2.1682 2.1876 5.3914 1.0000 0.6930 0.7721 0.2635 0.2368 0.2271 0.1662 3.1634 4.8791 4.9251 1.4239 1.8812 0.0886 0.0886 0.0886 (3^-5^)-guanylyladenosine* 0.0903 0.0903 0.3473 0.0903 0.0903 0.7351 0.0903 0.0903 0.0903 0.8241 0.4419 1.6182 2.1463 4.3933 2.4608 0.0903 0.0903 0.0903 0.0903 0.1950 0.0903 0.2537 0.5796 0.0903 0.0903 0.0903 0.0903 1.1018 3.7752 0.1514 7.3657 0.8743 4.8257 0.6617 0.0903 0.0903 0.6301 1.1586 0.5761 0.0903 0.0903 0.5610 0.4505 1.2353 2.8917 1.6670 4.9275 1.1025 7.9189 5.5811 0.0903 0.0903 0.0903 0.1735 0.0903 1.6606 0.1740 0.1918 0.1304 0.6029 0.8982 0.3905 0.0903 1.6299 6.3049 11.3152 3.4982 3.8968 0.0903 0.0903 0.0903 (3^-5^)-guanylylcytidine 0.0334 0.0334 0.2577 0.0334 0.0334 0.4099 0.0334 0.0334 0.0334 0.0334 0.0334 1.8236 2.2464 2.6363 2.3766 0.0334 0.0334 0.0334 0.0334 0.0334 0.0334 0.1135 0.4212 0.0334 0.0334 0.0334 0.0334 0.0334 2.5209 0.0334 4.9818 1.3393 2.8168 0.8257 0.1073 0.0334 0.6886 1.1743 0.6372 0.0334 0.0544 0.1275 0.2402 0.7808 8.0057 10.4987 2.2975 1.5609 11.9349 3.6796 0.0334 0.0334 0.0334 0.2363 0.1583 1.9914 0.2319 0.2241 0.1440 0.1661 0.0334 0.1596 0.0983 2.7785 6.0447 9.4622 3.5116 3.7833 0.0334 0.0334 0.0334 (3^-5^)-guanylyluridine 0.1642 0.1280 0.3818 0.1280 0.1280 0.9149 0.1280 0.1280 0.1280 0.2808 0.1280 4.5573 2.4559 3.2176 2.2109 0.1280 0.1280 0.2386 0.1280 0.1280 0.1280 0.3333 0.7331 0.1280 0.1280 0.1280 0.1280 0.2113 5.3993 0.1280 7.5504 0.8915 3.1498 1.3447 0.3190 0.1280 1.9106 2.2885 1.0000 0.1280 0.1280 0.5104 0.7406 2.1445 15.1876 21.1360 4.7390 1.1615 20.5171 4.2301 0.2450 0.1280 0.1280 0.5249 0.2623 3.8579 0.4218 0.3431 0.1360 0.6073 0.5499 0.4710 0.1382 5.7697 11.9754 13.8612 3.6320 3.8079 0.1280 0.1280 0.1280 (3^-5^)-uridylyladenosine 0.1367 0.1367 0.2081 0.1367 0.1367 0.4130 0.2280 0.1367 0.1367 1.0000 0.4333 1.0648 3.3121 3.7688 4.1048 0.1367 0.1367 0.1367 0.1367 0.1367 0.1367 0.1619 0.4611 0.1367 0.1367 0.1367 0.1367 1.1943 1.5700 0.2908 3.0158 1.9992 4.1008 0.5144 0.1367 0.1367 0.4305 1.5687 1.6461 0.1367 0.3333 0.3460 0.1946 0.8357 0.9840 2.6903 1.1957 3.6222 4.6431 6.1154 0.1367 0.1367 0.1367 0.7780 0.4507 1.3139 0.4167 0.1803 0.2086 0.8255 1.0995 0.3385 0.1670 1.2242 1.6170 3.8190 5.9843 4.6681 0.1367 0.1367 0.1367 (3^-5^)-uridylylcytidine* 0.0950 0.0950 0.2623 0.0950 0.0950 0.5740 0.0950 0.0950 0.0950 0.0950 0.0950 1.0553 1.5539 1.4680 1.2100 0.0957 0.0950 0.1082 0.0950 0.0950 0.0950 0.2136 0.5032 0.0950 0.0950 0.0950 0.0950 0.0950 1.2357 0.0950 1.9434 1.4270 1.2980 1.0766 0.0950 0.0950 1.0000 2.6490 2.3972 0.1189 0.4229 0.1264 0.0950 0.4944 0.7427 2.4585 0.7755 1.0620 3.9997 1.7845 0.0950 0.0950 0.0950 0.9751 0.7506 2.8881 0.5216 0.3788 0.6080 0.2009 0.2338 0.0950 0.1838 1.4820 1.8111 2.9178 1.7861 2.1722 0.0950 0.0950 0.0950 (3^-5^)-uridylylguanosine 0.2714 0.2714 0.6076 0.2714 0.2714 1.5963 0.2714 0.2714 0.2714 0.2714 0.2714 0.9100 1.3552 2.4518 1.4031 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 0.5310 0.8519 0.2714 0.2714 0.2714 0.2714 0.2714 2.0224 0.2714 1.0028 0.9373 1.2000 1.0000 0.2714 0.2714 1.6848 4.7525 3.8918 0.2714 0.7160 0.4032 0.2714 0.9203 0.2714 0.2714 0.6683 0.7307 0.2714 1.4750 0.3147 0.2714 0.2714 2.2115 1.1919 5.0233 1.2716 0.6316 0.7368 0.2714 0.7572 0.2954 0.2714 1.0783 0.7217 0.2714 0.2714 2.0388 0.2714 0.2714 0.2714 (3^-5^)-uridylyluridine 0.0881 0.0881 0.1934 0.0881 0.0881 0.5964 0.0881 0.0881 0.0881 0.0881 0.0881 1.5044 1.3292 1.5320 0.9754 0.0881 0.0881 0.1470 0.0881 0.0881 0.0881 0.1862 0.4052 0.0881 0.0881 0.0881 0.0881 0.0881 1.6340 0.0881 1.7788 0.7377 1.0000 1.0796 0.1523 0.0881 1.1357 3.5557 3.1234 0.0881 0.5457 0.2972 0.2959 0.8642 1.9355 4.1781 1.3262 0.7450 4.8351 1.3853 0.1398 0.0881 0.0881 1.6079 1.6493 2.9894 0.8213 0.5592 0.5811 0.3773 0.3834 0.2330 0.3579 2.1978 2.6886 3.0152 1.1945 1.9502 0.0881 0.0881 0.0881 3-acetylphenol sulfate 0.2525 0.2525 0.7034 0.2525 0.2525 0.2525 0.2996 1.4787 1.0474 3.5457 0.3208 1.9000 0.4712 0.2525 0.4133 0.2525 0.3188 0.2525 0.2525 0.2525 1.4336 0.2525 0.2525 0.9017 0.2525 1.3381 0.9526 0.2525 0.4750 2.4173 0.2525 0.2525 0.7832 0.2525 1.4487 0.8358 0.2525 0.2525 0.2525 0.2525 0.2525 6.1582 1.5668 0.2525 0.6343 0.2525 2.3921 0.2525 0.7317 0.8551 0.2525 0.5950 1.1151 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 11.3748 0.9348 1.5653 3.9419 1.5173 0.6883 5.5806 0.2525 0.2525 2.5345 0.2525 0.2525 3beta-hydroxy-5-cholestenoate 3.6449 0.2756 1.0000 2.0465 0.8218 1.5322 0.2756 0.9696 0.9278 0.3368 0.9972 0.2756 0.4239 1.3950 0.2756 0.2756 0.2756 0.2756 0.5425 1.1022 1.3176 0.5983 0.6784 0.3895 0.2756 0.9460 1.1536 0.2756 1.3216 0.2756 0.4876 0.2756 0.6704 0.2756 0.2756 1.3964 6.0169 3.9742 9.6635 3.2799 6.6492 0.2756 0.2756 0.6652 0.2756 0.2756 0.2756 0.6191 0.2756 0.2756 0.2756 0.2756 0.2756 7.9370 6.5383 8.2212 2.0380 2.9638 4.6561 0.2756 0.9706 0.2756 0.8385 1.0708 0.5241 0.3024 0.9377 0.2756 0.2756 0.2756 0.2756 3-dehydrocholate 4.1678 0.3293 0.2626 0.2046 0.0819 0.2122 0.6704 2.8009 0.7588 1.6426 0.9869 0.2500 0.1894 0.0853 0.1162 0.6961 0.6053 0.1390 0.0659 0.0525 0.1531 0.0421 0.0592 0.1853 0.9355 0.0421 1.9842 1.0131 0.0421 1.4566 0.4585 0.0421 0.3742 0.5247 0.2623 0.5680 5.1182 0.9227 1.1902 4.8427 0.3394 5.2346 58.9569 63.0356 42.7106 19.5004 3.2887 7.6342 5.2269 3.0515 0.4623 1.2396 0.4461 2.3960 0.7259 1.3251 2.4270 1.4118 0.2367 59.9960 41.0838 48.7528 14.7869 38.8453 24.8277 6.0934 9.6969 2.1534 3.2768 1.1592 0.8832 3-dehydrodeoxycholate 9.1641 0.0177 0.0050 4.3979 0.0050 0.0127 0.0487 0.0050 0.0111 0.0351 0.0050 0.0589 0.0050 0.0050 0.0646 0.1589 0.0675 0.4652 0.0050 0.0050 0.0050 0.0050 0.0050 0.0050 0.0050 0.0050 0.0264 0.0050 0.0050 0.0050 0.0050 0.0050 0.0050 0.0463 0.0484 0.0288 43.6998 21.3615 32.3303 17.6564 10.8626 0.4707 1.5857 4.5358 4.1292 1.6069 0.9464 1.0714 0.6213 0.7782 0.2858 1.8578 1.2489 11.5777 19.8981 21.5169 8.6983 6.8448 8.9966 1.2385 1.2448 1.4291 0.7228 1.7785 3.1630 0.3973 0.8443 0.2724 0.3024 1.0536 0.2564 3-deoxyoctulosonate 1.0149 0.6629 2.4309 0.3428 1.3517 1.4187 0.3436 0.4337 1.1763 0.1564 0.6761 0.1564 0.1564 0.1564 0.1564 0.3835 0.3242 0.6573 1.1813 0.1564 1.8914 0.7057 0.1564 1.6589 0.6040 0.4825 0.1564 0.2832 0.1564 0.9641 0.1564 0.1564 0.1564 0.5399 0.1564 1.0588 2.2765 3.3024 1.7081 1.0000 1.6458 0.8799 1.5619 1.4561 1.0441 0.6748 0.3440 0.1564 0.1564 0.1564 0.8092 2.8046 1.9471 3.3007 2.2224 2.9238 1.1784 0.3712 1.4664 1.5795 0.3695 0.9110 0.1564 0.6900 0.8948 0.1988 0.1564 0.1564 1.7480 5.3331 0.3550 3-formylindole 1.8879 0.3450 1.5827 1.1905 0.6031 1.0626 0.7546 0.7134 0.7978 0.3971 0.7484 0.4669 0.7581 0.6800 0.6311 1.1049 0.7776 0.8347 1.5434 1.4239 0.8069 1.4066 1.1044 0.4009 0.4259 0.4403 0.8990 0.4325 0.5487 0.8947 0.4639 0.7109 0.6258 1.5742 1.5478 0.9515 3.4389 2.4817 2.7297 1.3440 1.6598 1.6662 1.7939 1.1275 1.2351 0.7959 1.0000 0.7771 0.8989 1.0243 2.0241 1.2486 0.9431 1.9695 4.0829 3.8119 1.3999 1.7224 1.0368 2.1250 1.6318 1.7581 0.6969 1.1419 1.1136 0.8419 0.7412 0.6497 1.9446 0.9164 0.8846 3-hydroxy-2-methylpyridine sulfate 0.3320 0.4847 0.3320 0.3320 0.9083 0.3320 1.0457 3.2354 3.5590 4.5552 1.0000 1.7809 0.6652 0.3320 0.3502 0.3320 0.6703 0.3320 0.9941 0.6615 2.0196 0.4860 0.3320 0.9756 2.1733 4.6233 1.5694 0.5732 1.9949 2.5974 0.4399 0.7453 0.8525 0.3320 1.0549 0.9026 0.3320 0.3320 0.3320 0.3320 0.3320 4.3645 1.7133 0.4052 0.9940 2.0561 0.8386 0.3320 1.7497 0.3320 0.3320 0.3320 0.3320 0.3320 0.3320 0.3320 0.3320 0.3320 0.3320 4.1958 0.6090 1.0730 1.1972 0.4955 1.6198 1.4753 0.3320 0.3671 0.3320 0.3320 0.3320 3-hydroxyarachidate* 2.0878 0.1316 2.5988 1.0000 0.1316 3.2690 0.5565 0.1316 0.1316 0.9018 0.3905 0.1316 0.6476 0.9321 0.1316 0.7235 0.6296 1.1420 0.6810 2.1015 1.0604 0.2880 0.8108 0.1316 0.1980 0.3437 1.4023 0.5420 3.5099 1.2702 3.2434 0.1316 1.6249 0.7421 0.5071 1.5595 4.9109 2.2117 3.6378 0.8670 1.4512 0.1316 0.1316 2.2871 1.4741 1.6178 0.1316 0.3034 0.1316 1.4414 0.5913 0.5994 0.3196 6.6809 3.5180 5.3934 0.8689 0.4914 1.4663 0.6782 0.9497 1.6174 0.5185 2.3309 2.5539 0.7128 0.1316 1.2434 0.2459 1.0923 0.4073 3-hydroxybehenate* 0.9524 0.1934 1.5372 0.6559 0.9049 1.1785 1.4412 1.8298 0.7202 6.3350 0.0726 0.0726 0.0726 5.6671 0.0726 0.0726 1.0000 0.0726 1.0693 1.5452 1.4843 0.4071 0.4940 0.3639 0.6565 0.5712 0.0726 0.0726 0.0726 0.0726 0.0726 0.2138 0.0726 0.3469 0.0726 1.6326 2.4667 0.8191 1.4542 0.8141 0.0726 0.0726 0.0726 0.0726 4.5476 4.2261 0.0726 0.0726 0.0726 0.0726 0.0726 0.5441 0.0726 2.5382 2.2434 2.4071 0.8657 0.3171 1.7386 0.0726 0.0726 0.0726 0.0726 0.0726 0.0726 0.0726 2.7015 2.6478 0.0726 0.4737 0.2151 3-hydroxydodecanedioate* 0.1173 4.7349 68.2133 0.6181 13.9427 49.7773 0.7300 6.7366 0.9975 4.4079 5.0803 0.2752 0.6412 1.3652 0.1173 10.7287 5.9600 0.4394 14.2942 25.4784 14.7507 7.6486 17.0774 8.0328 2.9853 0.4895 2.3406 1.5985 0.1173 3.0940 0.9591 0.1173 1.1661 2.9468 0.1173 4.2772 0.5788 1.0025 0.4645 0.6324 0.7049 0.4095 1.1171 0.8533 0.6052 0.4639 0.3692 0.1173 0.1173 0.1173 1.0290 1.1302 1.1051 0.9527 0.6093 0.1962 2.5661 1.0749 0.4125 0.7942 0.4015 0.2748 0.2332 0.4127 0.1173 0.1173 0.1173 0.1173 0.6247 0.8553 0.1316 3-hydroxymyristate 1.1685 0.4268 2.4977 0.7101 0.4220 2.8738 0.5543 0.4495 0.3697 0.8398 0.8087 1.0882 1.1091 1.5640 1.2119 2.9959 1.3396 1.7751 0.3089 0.5645 0.4616 0.3140 0.4748 0.4028 0.3473 0.3707 0.4535 0.5656 1.0693 0.5997 1.0519 1.4311 1.1117 1.0323 0.9324 1.3625 1.8953 0.7748 1.0000 0.6058 0.5590 0.5824 0.7067 0.9263 1.3315 1.0140 0.9889 1.4689 1.1274 1.2732 1.1387 0.8990 1.1035 1.6741 0.9675 2.1783 0.6847 0.7094 0.6419 0.8948 1.0455 2.3697 0.7248 2.6491 2.0037 1.5007 1.7178 1.3536 1.0511 1.3319 0.6593 3-hydroxyoctanoate 1.7230 0.3236 1.4213 1.5372 0.3236 1.6196 0.3236 0.3236 0.6273 0.3236 1.1460 0.9492 0.9009 1.8482 0.8014 0.3236 0.3236 0.4547 1.3077 1.0658 0.3236 0.4695 1.1672 0.3236 0.7668 0.6431 1.4285 0.8700 0.5852 0.3236 0.9025 1.5598 1.2244 0.3236 0.3236 0.3236 1.5113 1.6163 1.3967 0.8699 0.9129 0.9551 0.5500 0.4489 0.3236 0.3236 0.3236 1.0245 0.7805 1.3449 0.3236 0.3236 0.3236 1.6505 1.8129 2.2597 0.8870 1.1410 0.8717 0.3236 0.5127 0.7166 1.2915 0.9755 1.0632 0.3236 0.7323 1.3616 0.3236 0.3236 0.3236 3-hydroxyoleate* 2.8942 0.2314 0.5217 0.7352 0.3808 0.6941 0.3694 0.2453 2.7781 0.8834 1.0363 1.2971 1.4464 1.7339 1.8611 0.4741 0.4359 0.6396 0.3121 0.6342 0.3686 0.3327 0.3086 0.2790 0.2625 0.3156 0.9112 0.8967 0.8504 0.3983 1.3645 2.3864 1.2322 0.6999 0.3091 0.7555 2.2228 1.4247 1.6692 0.5805 1.0519 1.0962 0.2314 1.3408 1.1912 1.0138 1.1412 1.6832 1.3480 2.1851 0.4590 0.3635 0.3208 5.4592 2.1865 2.3185 1.2744 1.0664 1.0719 1.7835 0.9862 0.7534 1.4310 1.4708 1.2054 1.6019 1.9988 2.8952 0.2958 0.4825 0.3349 3-hydroxypalmitate 1.5528 0.2867 3.2666 0.7447 0.4323 2.7987 0.5696 0.3796 0.3709 1.1275 0.8640 0.2380 1.3214 1.9720 1.8277 1.3292 0.7038 1.0874 0.5316 0.8750 0.5905 0.3088 0.4796 0.3767 0.2380 0.2630 0.7285 0.2380 0.2380 0.5179 1.2932 1.5913 1.2940 0.6703 0.4581 1.1914 2.3963 1.0521 1.2826 0.5891 0.8662 0.8897 1.0902 0.2380 1.7988 1.1161 0.2380 1.5384 1.1512 1.7651 0.7197 0.5593 0.3603 5.3359 2.0439 2.2308 0.9185 0.6315 0.9479 1.1512 0.2380 2.6744 1.2866 2.7247 2.1332 0.2380 2.1821 1.5191 0.4020 0.5482 0.4549 3-hydroxypyridine sulfate 0.0327 0.0666 0.0493 0.0327 0.0816 0.0327 1.0322 2.5920 1.0335 6.2404 0.9691 3.6763 1.4282 0.2666 0.9209 0.1108 0.9210 0.0934 0.0636 0.0838 0.1630 0.0413 0.0327 0.0698 0.7615 2.6799 0.9896 0.7133 2.9234 2.8023 0.5795 1.6468 1.3527 0.1161 1.8623 0.9657 0.0327 0.0327 0.0327 0.0327 0.0327 4.2437 1.4055 1.0647 1.1011 1.5128 1.7858 0.5738 2.3865 0.8118 0.0467 0.2694 0.4682 0.0327 0.0327 0.0327 0.0327 0.0327 0.0327 6.5503 1.6670 1.9546 3.0215 1.4289 2.1922 2.4710 0.4618 1.0609 1.0104 0.0327 0.1258 3-hydroxysebacate 3.5772 0.4996 2.8162 3.3053 1.2465 2.1206 1.0176 0.8432 0.6656 0.8199 0.6456 0.7748 0.1163 0.2271 0.4283 0.5425 0.5322 1.2275 2.2496 2.5279 2.2606 1.3753 1.7843 1.4008 0.8865 0.5593 0.6247 0.5382 0.2609 0.8872 0.2632 0.0745 0.4695 0.5512 0.1145 0.9301 3.2743 3.5290 3.3631 3.4238 3.3659 1.2100 1.1634 1.4131 1.0359 0.6077 1.0733 0.2808 0.3078 0.3362 0.4888 1.4848 1.5733 3.4216 3.4298 3.2035 2.7533 3.1613 3.3384 1.1268 0.6533 1.5872 0.3996 1.1495 1.0000 0.2782 0.4583 0.1451 0.3929 1.7560 0.1913 3-hydroxystearate 2.0955 0.2716 2.3398 0.8432 0.4727 2.5067 0.5091 0.3856 0.4620 0.9892 1.0410 2.1386 2.9123 3.3045 4.6873 1.0000 0.5143 0.7362 0.5080 0.8805 0.6119 0.3561 0.5807 0.4001 0.3490 0.3651 0.5243 0.6307 2.0469 0.5285 2.6041 4.6047 2.3284 0.5465 0.4741 1.2097 2.3552 1.1790 1.4843 0.4995 1.0326 0.8265 0.8237 1.4021 1.3124 1.5711 1.2783 3.4521 2.7302 3.2933 0.6386 0.5231 0.3695 4.6044 2.6026 1.9078 0.8054 0.5238 0.9326 1.8104 1.4169 0.9536 1.8089 2.5515 1.7636 3.0563 3.4850 4.7459 0.3559 0.5051 0.4518 3-indoleglyoxylic acid 1.4994 0.6989 2.2485 1.0862 1.5145 1.0717 0.7927 0.8254 0.9399 0.8163 0.3468 0.2960 0.2418 0.1608 0.1608 1.1532 0.9331 0.8437 3.0372 3.6300 2.1593 1.8751 1.7912 1.5096 1.0895 1.0001 0.6047 0.3688 0.7889 0.5379 0.2015 0.5635 0.2203 1.9963 2.3448 0.9604 1.6980 1.5883 1.9303 0.9530 0.9371 1.5127 1.1566 0.5076 1.0173 1.0332 0.6786 0.1608 0.8645 0.3625 2.7590 0.6959 1.2200 1.5997 2.4253 1.8906 1.8459 1.1685 0.9999 1.1847 0.7263 1.1127 0.3731 0.2658 1.2630 0.5570 0.1608 0.3351 2.1868 0.5348 0.4725 3-indoxyl sulfate 0.0208 0.0208 0.0904 0.0208 0.0378 0.0227 1.4094 2.3696 1.4578 5.6769 0.6902 2.6974 0.8460 0.2205 1.0988 0.1897 1.0189 0.4985 0.0208 0.0208 0.0441 0.0208 0.0208 0.0208 0.1516 1.0900 0.7675 0.0474 0.9351 2.3312 0.0244 0.1997 1.0895 0.0208 4.0307 0.6714 0.0208 0.0208 0.0208 0.0208 0.0208 3.4312 1.6392 0.9072 1.2181 0.4731 2.3946 0.8319 0.9811 1.2187 0.1728 0.7361 1.5391 0.0208 0.0208 0.0208 0.0208 0.0208 0.0208 10.5962 2.0834 2.0953 3.3305 1.7744 1.0814 5.2005 1.1120 0.8713 5.6740 0.5278 0.4151 3-methoxycatechol sulfate (2) 0.2845 0.2845 0.2845 0.2845 0.3695 0.2845 6.1628 9.0039 1.4975 9.1309 0.8534 11.0813 0.8753 0.2845 4.5386 0.2845 0.7467 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.6953 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 1.0000 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 0.2845 3-methyl-2-oxovalerate 3.4215 0.1009 1.0000 1.2144 0.1009 0.8008 0.2373 0.1009 0.1009 0.7641 0.1711 0.6053 1.2135 0.9713 1.0202 0.1009 0.1009 0.1009 0.2575 0.4860 0.1009 0.1217 0.2322 0.1009 0.1009 0.1009 0.1118 0.2581 0.6564 0.1571 1.1891 1.3397 1.3473 0.1009 0.1009 0.2955 6.6465 4.4344 6.0024 1.5955 2.4398 0.6050 1.0125 0.8078 1.4218 0.9853 0.9547 1.0293 1.0240 1.3458 0.1009 0.1009 0.1009 2.3476 7.3249 6.8692 1.9630 1.1932 1.5123 0.6363 0.5707 0.4822 0.5064 3.3723 0.7663 1.9155 1.0418 0.9726 0.1009 0.1009 0.1009 3-phenylpropionate (hydrocinnamate) 1.2370 0.2502 0.2502 0.5374 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.3369 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 2.1597 0.4759 0.2502 0.9853 1.0060 1.5687 0.4484 0.2502 0.2502 0.2502 0.2502 0.2502 1.1898 0.2502 0.2502 1.2597 0.2502 1.0000 0.2502 0.2502 1.5558 1.4941 1.2878 0.5646 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.2502 0.5009 0.2502 0.2502 0.2502 0.4548 0.2502 0.2502 3-phosphoglycerate 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 1.1650 0.6562 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 7.7187 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.8361 2.0221 0.4104 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 9.2581 0.8274 1.1639 4-acetylcatechol sulfate (1) 0.1098 0.4250 0.5461 0.1098 1.2328 0.2251 1.3363 2.6924 2.4726 3.3764 1.1675 1.8899 0.5419 0.3269 0.6794 0.1098 0.8928 0.1098 1.1768 0.6407 1.8309 0.7347 0.2965 0.9885 0.9430 2.0367 1.2009 0.4311 1.0115 1.6145 0.1966 0.1967 0.7557 0.1098 0.6126 0.5795 0.1098 0.1098 0.1098 0.1098 0.1098 3.1497 2.5216 2.3644 1.9697 1.2528 1.7870 0.5449 0.7503 0.7929 0.1098 0.2259 0.2418 0.1098 0.1098 0.1098 0.1098 0.1098 0.1098 8.5862 1.9256 2.6671 2.6134 1.7384 1.5360 2.9587 0.9300 0.4129 1.1156 0.1098 0.1464 4-acetylphenol sulfate 0.2823 0.4898 1.0021 0.2823 1.1490 0.2823 0.7878 2.5696 1.7481 3.8718 0.5091 1.4851 0.2823 0.2823 0.2823 0.2823 0.9401 0.2823 1.7075 1.4839 3.2715 0.7303 0.8449 1.7025 0.4600 1.7905 1.6808 0.2823 0.9400 2.4068 0.2823 0.2823 0.8346 0.2823 1.1375 0.9979 0.2823 0.2823 0.2823 0.2823 0.2823 2.3330 0.6842 0.3317 0.3412 0.2823 0.9178 0.2823 0.2823 0.2823 0.2823 0.2823 0.2823 0.2823 0.2823 0.2823 0.2823 0.2823 0.2823 4.9051 0.9159 0.9491 1.6389 0.4697 0.4080 1.9928 0.2823 0.2823 1.2781 0.2823 0.2823 4-chlorobenzoic acid 0.7633 0.8962 0.8370 0.9528 1.2438 0.7655 0.9431 1.2432 1.2578 1.1625 1.1326 1.2372 1.0258 1.1019 1.0506 0.2713 0.4241 0.3840 1.1273 1.1913 1.1906 1.0206 1.1484 0.8339 1.1977 1.2782 1.1886 1.1259 1.0000 1.0394 1.0578 0.9444 1.1286 0.6226 0.1519 0.5994 0.8011 0.9474 0.8679 0.9777 0.9300 0.8651 1.0191 0.9666 1.0198 1.0269 1.1377 0.9486 0.9738 1.0462 0.2956 0.2581 0.3184 0.9557 0.9829 1.1210 1.0458 0.9613 1.0587 1.0938 0.7666 1.1839 1.0113 0.7529 1.1583 1.0997 0.9558 0.9922 0.2893 0.1519 0.1519 4-hydroxycinnamate sulfate 0.0205 0.5046 0.5933 0.0205 1.3761 0.1745 1.8757 1.6753 2.7767 1.5539 1.0000 1.7705 0.4777 0.3882 0.6868 0.0205 0.5897 0.0298 1.6189 1.1758 2.9384 0.8337 0.4805 1.7479 1.5259 2.3447 1.6208 1.2035 1.0908 1.9689 0.5119 0.2707 0.7042 0.0205 0.3621 0.8475 0.0205 0.0205 0.0205 0.0205 0.0205 2.5024 2.2409 1.5353 1.0995 0.6556 1.3582 0.3627 0.7475 0.4872 0.0205 0.0539 0.0753 0.0205 0.0205 0.0205 0.0205 0.0205 0.0205 3.4844 1.9215 3.0797 1.2531 0.9891 1.5306 1.5865 0.4351 0.8551 0.3429 0.0205 0.0493 4-hydroxyhippurate 0.0641 0.4753 0.6500 0.0641 1.0852 0.4384 1.9097 2.0120 2.3228 2.4238 1.8277 2.0713 0.6816 1.0653 0.9447 0.1495 0.5676 0.2214 1.6334 1.0357 2.3680 1.0302 0.6740 1.5001 1.1806 2.3966 1.5653 0.7032 1.4142 2.0565 0.6603 0.4912 0.8543 0.3234 0.3937 0.8864 0.0641 0.0641 0.0641 0.0641 0.0641 2.1098 1.2708 1.4143 0.9200 0.6625 1.0564 0.4284 0.9698 0.5859 0.0641 0.1563 0.1771 0.0641 0.0641 0.0777 0.0641 0.0641 0.0641 2.9549 1.6789 1.8881 1.9649 1.0500 1.2489 1.4956 0.5997 0.6225 0.3310 0.0794 0.0641 4-hydroxyphenylacetate 0.9197 0.2205 5.2926 1.3043 0.4822 2.5781 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.5804 0.5225 0.8856 0.6499 4.8108 0.7945 0.2205 2.0236 0.2851 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.2205 0.3901 6.6125 12.3964 2.9127 10.4611 10.0410 0.3849 0.7013 0.7030 0.2205 0.3520 0.5271 1.0771 0.2205 0.4307 2.3567 4.4100 5.4329 2.4081 4.9061 3.7775 4.3267 6.9402 8.9872 0.2205 0.3022 0.4563 0.2205 0.5666 0.2205 0.7442 1.0000 0.3860 1.3813 4.7616 0.5303 4-hydroxyphenylacetate sulfate 0.0469 0.4750 5.1869 0.0469 1.4587 2.6898 1.4384 5.9675 4.5848 7.4610 0.9336 2.8366 1.0599 0.2494 0.7944 0.1642 0.9890 0.4347 2.5911 1.7423 14.3940 1.2553 1.1946 7.1107 3.3794 8.8356 5.4589 0.5880 2.5068 10.6789 0.4394 0.3972 3.1480 0.2460 1.9264 4.1840 0.1024 0.4724 0.1174 0.1257 0.1914 5.4125 1.8980 0.5731 0.8535 0.5835 1.7433 0.4200 0.7204 0.8279 0.0469 0.6293 1.1448 0.1102 0.2121 0.0469 0.1831 0.1184 0.2200 6.3211 1.0110 2.3387 1.3734 1.2010 0.7938 2.4115 0.6095 0.4577 1.2374 0.2207 0.2169 4-hydroxyphenylpyruvate 1.4310 0.0587 0.5734 0.6432 0.3292 0.4453 1.0386 0.8370 0.3088 3.3802 1.3762 1.1439 0.9997 0.9670 0.8318 0.4028 0.2803 0.1672 0.7616 0.6422 0.5328 0.5570 0.7358 0.5054 0.6290 1.2424 0.6896 1.4312 1.6877 3.0907 1.0350 1.0258 1.5394 0.5563 0.8919 0.5687 4.2053 2.9002 3.5986 1.0000 1.6007 2.2597 2.0953 1.4113 2.5705 1.4188 1.7907 0.6165 1.3202 1.2522 0.4288 0.1673 0.1313 1.4798 6.4204 4.1178 1.0418 0.9508 1.3192 2.6396 1.8251 1.2491 0.9129 1.6822 1.5787 1.9596 0.7922 0.9483 0.3319 0.1661 0.0916 4-methyl-2-oxopentanoate 2.7441 0.0523 0.5904 1.0463 0.0523 0.5039 0.2446 0.1636 0.0962 0.2804 0.1950 0.7317 1.2466 1.1015 1.0979 0.0523 0.0523 0.1088 0.2696 0.3313 0.0523 0.1265 0.1693 0.0523 0.1116 0.1664 0.1840 0.2437 0.6821 0.1786 1.4660 1.5009 1.4634 0.2040 0.0523 0.3404 5.4563 3.6199 4.0124 1.3295 2.0519 0.6097 1.2517 0.9537 1.8411 1.8064 1.1562 1.1766 1.3018 1.4945 0.0881 0.0523 0.0523 2.0220 6.8382 6.4443 1.8576 1.6107 1.3046 0.6259 0.6612 0.5710 0.4792 2.4872 0.8589 2.3190 1.2087 1.0683 0.0523 0.0523 0.0523 4-thiouracil 5.7623 0.2229 0.2229 1.7587 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.6841 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 0.2229 6.8928 3.6311 3.5198 2.2576 1.8107 0.2229 0.2229 0.2229 0.4092 0.2229 0.2229 0.2521 0.2229 0.2339 0.2229 1.9021 0.9612 0.8626 1.7101 8.2471 0.3395 0.4163 1.5973 0.2229 0.2229 0.2229 0.2229 0.4183 0.2229 0.2229 0.9718 0.2229 0.2229 1.0282 0.3062 4-vinylcatechol sulfate 0.3001 0.3001 0.8534 0.3001 0.3001 0.6925 0.5423 0.9641 0.3001 2.7547 0.4107 0.9885 0.6553 0.3001 0.3001 0.3001 7.2546 0.3001 0.3001 0.6711 0.3001 0.3001 0.8304 0.3001 0.3001 0.5633 0.5597 0.3001 1.0170 2.0728 0.3001 0.3001 1.0000 0.3001 2.6403 2.7688 0.3001 0.3001 0.3001 0.3001 0.3001 1.9118 1.6332 0.9368 2.2764 1.2769 1.2680 0.3976 0.7971 0.8611 0.3001 0.4174 0.3001 0.3001 0.3001 0.3001 0.3001 0.3001 0.3001 7.0623 1.3984 1.9838 3.4882 1.0822 0.8207 7.8072 0.3001 0.3001 5.4480 0.3001 0.3001 4-vinylphenol sulfate 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 1.5141 0.4849 0.5152 0.4849 0.4849 0.4849 0.4849 2.1115 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.5200 0.8687 0.4849 0.4849 0.9006 0.6311 2.7077 2.5850 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 0.4849 1.0994 0.4849 0.4849 0.6591 0.4849 0.4849 1.9487 0.4849 0.4849 2.4570 0.4849 0.4849 5_6-dihydrouridine 5.4637 0.4270 1.5027 2.1387 0.7842 2.0590 0.3616 0.4199 0.2487 0.3470 0.2411 0.2722 0.8545 0.6881 1.0313 0.8108 0.5548 1.1244 0.7238 1.4686 1.0000 0.6568 1.4722 1.1139 0.2309 0.3984 0.3491 0.5703 0.4298 0.2640 0.7981 1.6159 0.9130 0.8805 0.1945 1.5071 7.0993 3.1580 2.3740 2.1333 2.6454 0.7405 0.9424 1.2919 1.5841 1.6496 0.7837 1.6732 1.6952 1.5791 0.4079 0.9220 1.2649 0.7482 2.0279 4.8874 0.6647 1.0133 2.6443 1.0110 1.4124 1.6974 0.3305 2.6120 1.2229 2.6525 2.4311 1.7131 0.3429 0.7755 0.1655 5alpha-pregnan-3beta_20alpha-diol disulfate 0.9149 0.2182 0.2182 1.0000 0.4473 0.7051 0.2182 0.9698 0.2182 0.7623 0.9856 0.7957 0.2182 0.2182 0.2182 0.2182 0.4260 1.0226 0.2182 2.9053 1.7382 0.5772 2.7971 2.0385 1.2971 3.2099 3.8575 1.0480 1.5963 2.8593 0.3898 0.2182 1.0724 0.2182 0.2182 1.8094 1.2240 0.3469 0.5110 1.5551 0.5588 1.2694 0.2182 0.4923 0.2182 0.2182 1.1874 0.2182 0.2182 0.4740 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 0.4371 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 0.2182 5-HEPE 0.8907 0.0512 0.6730 0.5015 0.6975 0.3561 0.8889 0.5948 0.8752 1.0000 0.7387 1.5816 0.9650 1.5694 5.6369 0.4397 0.8781 2.0328 0.0512 0.0954 0.1887 0.8034 0.5521 0.2916 0.5994 0.5138 0.5970 0.5615 0.8140 0.8107 1.5770 1.4053 0.6229 4.6014 1.7734 1.0774 0.0512 0.8827 0.6524 0.4020 0.3895 1.4858 2.0366 3.9621 3.5998 4.4882 1.8488 3.9789 4.6732 4.9699 2.5091 1.1969 0.5852 1.0299 1.4315 0.9064 2.5669 2.8041 1.7492 2.2907 1.9124 2.3544 0.9612 4.3114 3.7919 4.4727 4.0322 3.4376 1.9301 0.9043 0.4206 5-HETE 0.4672 0.0417 0.2675 0.5044 0.3319 0.4605 2.0036 1.1486 0.9580 2.4745 1.3884 4.6396 3.0017 2.6863 6.0730 0.1492 0.1271 1.2444 0.0771 0.1143 0.1423 0.5154 0.4776 0.4884 0.8168 1.1714 1.1612 2.7526 2.7254 0.9381 4.4395 2.3140 3.9900 0.5075 0.1136 0.4450 0.0343 0.3665 0.3965 0.2815 0.5459 2.3606 1.5022 3.6958 4.0311 4.9409 2.9823 2.7734 3.1939 4.4341 0.2226 0.0343 0.0343 0.4640 0.4707 0.2640 1.0000 0.7546 0.5957 1.9499 4.5231 1.8025 2.0553 3.5646 5.4092 3.7075 2.9391 2.3063 0.1122 0.2360 0.2334 5-HETrE 1.2914 0.0992 0.0992 0.5434 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.1441 0.5767 0.0992 0.0992 0.0992 0.4736 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.4063 0.0992 0.0992 0.0992 2.5933 1.8182 2.1191 1.0060 2.7712 0.0992 0.0992 0.0992 0.2242 0.0992 0.0992 0.0992 0.0992 0.5132 0.0992 0.0992 0.0992 3.7438 4.3947 4.1099 0.0992 0.9940 2.0914 0.2696 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 0.0992 1.0301 0.0992 0.4138 0.0992 5-hydroxypicolinic acid 2.7485 0.6485 2.9869 3.0234 1.8543 2.0891 1.2042 1.2208 2.0118 1.3390 0.6221 0.4911 0.2234 0.0323 0.1438 0.2507 0.4428 0.7005 2.4027 2.5650 2.2535 2.2477 1.8181 1.5265 2.0719 1.8344 1.0945 0.8531 0.3626 0.9211 0.2151 0.1003 0.1528 1.0467 0.1410 0.9693 2.3886 1.9024 1.8331 2.9086 2.4322 2.0266 0.7762 0.8029 0.6739 0.9866 0.6676 0.0323 0.4675 0.2724 0.7581 0.1548 0.7659 2.5361 1.7116 1.9824 2.6752 2.6024 3.1002 1.1846 0.4693 1.1020 0.2421 0.5983 1.0134 0.1810 0.1629 0.0323 0.2060 0.2906 0.0323 5-methyluridine (ribothymidine) 7.1220 0.1546 0.8092 2.2264 0.1906 1.0110 0.3206 0.0860 0.0514 0.4105 0.2039 1.0066 1.7552 1.2734 0.9934 1.7169 1.0225 1.5678 0.4947 0.3625 0.6080 0.3999 0.3818 0.5050 0.0514 0.1936 0.0782 0.6458 1.0440 0.1058 1.4434 1.1286 0.7094 0.8665 0.3572 1.0737 6.9937 4.7584 4.7579 2.7374 1.8772 0.3838 0.3150 1.3714 0.8787 1.0820 0.9523 1.0543 2.1607 0.9115 0.9827 2.2623 1.8430 3.7465 4.3703 5.9437 0.7754 0.8316 2.0440 0.9730 2.1766 0.5513 1.1540 1.7867 1.3138 0.8691 1.4224 1.6358 0.6590 1.9474 0.2358 5-oxoproline 0.4362 0.7318 0.5773 0.3144 0.6369 0.6273 0.6578 0.5611 0.5124 1.0838 1.0730 2.1694 4.5161 3.4644 4.3991 0.7966 0.6442 0.3724 2.0536 1.1472 0.9636 1.2718 0.9399 0.6104 0.6001 0.7266 0.6419 0.9867 1.4338 0.5236 1.9312 6.0520 1.3918 1.4430 1.4017 0.8835 1.0000 0.7072 0.8357 0.6609 0.5022 1.3246 1.5117 1.4873 1.9715 1.5041 1.7349 7.7312 1.7133 2.8954 2.1998 0.6861 0.8063 0.7823 0.8890 1.0464 0.4530 0.4163 0.4918 1.5977 1.8146 1.6152 3.6832 3.3821 1.8268 1.5111 6.5814 4.0789 0.7243 0.2670 0.3005 6beta-hydroxylithocholate 0.5626 0.0281 0.0205 0.2445 0.0173 0.0589 0.2037 0.6240 0.1167 0.5447 0.3053 0.1682 0.1285 0.1476 0.1344 0.2665 0.3209 0.5085 0.0138 0.0138 0.0177 0.0187 0.0138 0.0205 0.0972 0.0138 0.3828 0.2404 0.0138 0.5098 0.4249 0.0138 0.2424 0.0865 0.0666 0.1937 3.8958 4.3825 7.2327 3.6887 3.6178 8.0994 36.9175 44.6247 43.0945 13.2716 9.9216 8.0761 4.3793 8.2656 0.5433 3.6071 1.7860 2.3448 4.0293 4.3646 1.3026 3.2097 2.8523 28.6602 39.8378 37.3993 9.2277 38.4044 25.9138 8.0706 11.1892 2.5070 2.2561 3.3191 0.6974 6-oxolithocholate 1.3019 0.0070 0.0290 0.7070 0.0070 0.1117 0.0598 0.0919 0.0070 0.0808 0.0624 0.0597 0.0248 0.0233 0.0571 0.3772 0.1948 0.5411 0.0070 0.0070 0.0113 0.0070 0.0070 0.0376 0.0108 0.0070 0.0604 0.0394 0.0070 0.1114 0.0947 0.0070 0.0576 0.0745 0.1004 0.3772 7.8183 6.1635 7.8989 2.0897 2.9325 2.5428 6.9231 12.2568 11.9670 3.6716 2.9692 3.0624 1.5026 2.2006 0.2887 1.0718 0.5160 3.8105 8.2653 7.2095 1.8738 1.4858 2.6177 7.0803 9.0754 9.0124 2.8035 7.3103 10.0064 2.6550 3.3630 0.9282 0.6306 1.4409 0.2808 7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 1.5019 0.0979 0.2516 0.6765 0.5035 0.2882 4.3199 2.8136 3.6634 3.8116 5.0395 2.0386 1.2043 1.9186 1.0000 0.1168 0.8749 0.3250 0.1502 0.3907 0.4081 0.6165 0.2821 0.4878 3.2214 6.1116 4.4669 3.2973 2.5452 4.2460 1.2840 0.9158 1.5331 0.0638 0.0436 0.2462 0.4887 0.6391 0.6146 0.0436 0.5114 2.8642 2.1241 4.6359 1.1742 2.4523 2.5559 0.8139 1.8372 1.5183 0.0436 0.2969 0.0436 0.4545 0.3659 0.0436 0.6285 0.5347 0.3522 2.2602 5.4382 2.1531 2.1767 2.1779 0.8935 1.4268 1.0628 0.8484 0.0436 0.2315 0.0436 7-ketodeoxycholate 0.4619 0.0276 0.0233 0.1477 0.0073 0.0279 2.0872 0.6401 0.2904 0.8092 0.9598 1.6361 0.2063 0.3903 1.7514 0.2316 0.2131 0.2811 0.0166 0.0186 0.0091 0.0272 0.0175 0.0123 0.4246 0.0231 0.6180 1.0154 0.0480 1.0642 1.6425 0.0275 0.4369 0.2118 0.1376 0.1433 4.1515 1.6761 3.5787 2.2385 1.0000 19.5997 35.3988 60.7933 54.2062 23.1756 23.7512 16.8527 9.2483 19.2034 0.3463 2.4662 0.5099 0.9960 1.5559 2.4256 0.8296 1.3227 0.5582 39.1127 37.1346 39.1463 20.9452 41.6184 44.2625 17.9163 15.4303 6.5050 5.5908 2.3959 1.1893 7-ketolithocholate 0.2512 0.1384 0.1384 0.1384 0.1384 0.1384 1.5711 1.0252 0.4157 1.1542 1.3202 2.1056 0.2473 0.5125 1.1042 0.1821 0.1835 0.1761 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.9168 0.4809 0.1384 1.5037 0.9748 0.1384 0.6695 0.3173 0.3978 0.1541 1.1270 0.1384 0.4189 0.4837 0.1384 16.6237 14.0360 48.1219 28.2749 17.3372 18.8813 10.3841 7.4449 14.6482 0.3633 0.5714 0.1804 0.2526 0.1384 0.2085 0.1810 0.6834 0.3108 35.1462 27.8665 19.5393 18.0652 19.1415 43.9717 16.8431 16.6627 4.3692 3.1713 0.7303 0.5747 8-hydroxyoctanoate 0.7893 0.3333 0.3333 0.6816 0.6467 0.3333 1.0233 0.3333 0.9743 0.8386 0.6922 1.3195 1.4029 1.0000 1.2698 1.2319 0.6851 1.3651 0.3333 0.3333 0.4705 0.3333 0.3333 0.4553 0.4759 0.5354 0.8127 0.5089 1.0403 0.5583 1.3943 1.4818 1.4160 1.3602 0.7375 0.3333 0.7926 0.8888 0.6305 0.5076 0.3333 1.3321 1.3164 1.0416 1.2292 1.0599 1.0322 1.3251 1.5406 1.1595 1.0834 1.0457 0.6985 0.8407 0.9180 0.9606 0.9808 1.3487 0.8229 1.1557 0.9564 0.7599 1.2806 0.9742 1.3214 1.4410 0.3333 1.9438 1.1838 1.3143 0.4311 9_10-DiHOME 0.7161 0.0795 0.1758 0.4278 0.1318 0.2098 0.6265 0.2746 0.2669 0.9073 1.0000 1.9908 2.0977 2.9259 3.3733 1.5234 0.9339 1.0353 0.1140 0.1086 0.1073 0.1673 0.1336 0.1469 0.4190 0.3243 0.3691 1.0293 1.9586 0.5659 4.1937 3.6113 2.0094 2.0792 2.8632 1.0083 1.2071 0.9698 1.2921 0.7031 0.6706 0.4536 0.0310 0.0310 0.8818 2.2894 0.8965 3.5351 6.4650 5.3845 2.1582 2.0431 2.1487 2.1492 1.4154 1.3238 0.7373 0.7093 0.6310 0.0310 0.1772 0.3213 0.6298 1.3043 1.0077 5.8454 2.3196 4.5755 4.4311 1.9604 1.1283 aconitate [cis or trans] 0.4493 0.8970 1.6395 0.5216 1.8831 1.0000 0.5264 0.9539 0.9863 0.5140 0.2956 0.5565 1.2202 0.6054 0.8573 10.0876 6.9265 2.2955 2.6626 3.0614 2.7914 1.5996 1.5494 1.7918 1.2727 1.0995 1.0094 0.2786 1.3884 0.6953 1.1871 4.5904 0.8735 9.8686 10.0878 6.0107 0.3430 0.3146 0.4154 0.1693 0.2838 0.7789 0.7119 0.3349 0.7417 1.3640 0.8385 0.5171 2.5085 1.9119 13.4633 7.8352 6.7622 1.2351 0.6204 0.4780 1.8467 0.3645 0.4287 0.3959 0.4185 0.3557 0.5518 0.5190 1.1215 1.0827 0.6296 1.0731 14.3804 3.1749 1.8138 adenosine-2^_3^-cyclic monophosphate 0.4798 0.1113 0.3578 0.3943 0.1113 2.1812 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 1.5391 0.1113 29.0554 0.1113 0.1113 0.1113 0.2680 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.7122 2.4167 0.7832 6.3173 0.1113 0.1890 3.8385 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 1.2168 0.1633 2.6740 0.1113 1.5112 15.0483 0.1113 0.3875 5.6105 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.1113 0.6249 0.1113 adenosine 3^_5^-cyclic monophosphate (cAMP) 0.2369 0.2369 0.2369 0.2369 1.6237 0.2369 1.4528 1.8168 1.1135 2.3670 1.5593 1.4927 0.4702 0.7661 0.7618 0.2369 0.2369 0.2369 1.7094 0.6194 0.7041 0.8885 0.2369 0.3810 1.8979 1.0383 1.3141 1.6664 2.4587 2.5700 1.7984 0.7585 0.8226 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.6609 0.2369 0.2369 0.8186 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.2369 0.4880 0.2369 0.9617 0.2369 0.3268 0.2369 0.2369 0.2369 adenosine 3^-monophosphate (3^-AMP) 0.1568 0.0907 0.3987 0.0907 0.0907 3.8714 0.0907 0.0907 0.0907 0.0907 0.0907 0.3123 0.4623 0.5483 0.6499 3.8944 1.4238 9.1836 0.0907 0.0907 0.0907 0.1451 0.0907 0.0907 0.0907 0.0907 0.0907 0.0907 0.0907 0.0907 0.3236 0.0907 0.4142 4.2656 11.5750 1.9060 12.2685 0.6512 0.3767 3.6499 0.0907 0.2298 0.1852 0.1831 2.2644 1.9988 0.5993 0.7156 0.8651 0.7910 15.3057 2.5790 11.6696 0.0907 1.2575 30.0530 0.0907 1.3042 5.4774 0.0907 0.0907 0.1574 0.2710 2.0976 0.7943 1.0000 1.1382 0.8308 7.7536 4.5459 1.6938 adenosine 5^-diphosphoribose (ADP-ribose) 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.4890 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.4068 1.0335 0.1034 0.1034 0.1034 0.1034 0.3391 1.0934 0.9665 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 2.0965 5.6047 3.7733 ala-ile-ala 1.3819 0.0507 0.2847 0.5633 0.1323 0.4053 0.3936 0.0507 0.1011 0.5501 1.4654 4.9311 2.7262 5.2281 4.3923 0.9884 0.6693 0.9780 0.1951 0.2023 0.1407 0.2199 0.3770 0.2227 0.1498 0.1218 0.1203 1.0758 4.1917 0.5874 4.9193 2.4345 3.2959 0.4563 0.5977 0.4174 1.0090 1.1235 1.0087 0.2540 0.2864 0.9913 1.8783 2.7469 4.0598 3.5816 2.1241 2.0881 3.5392 3.2979 0.1201 0.7397 0.3054 1.4093 1.3997 2.2380 0.5515 0.6160 0.5745 1.4331 1.1506 0.6689 1.6062 3.5988 4.5823 5.0830 2.8903 4.2967 1.0107 0.6314 1.3830 alpha-CMBHC glucuronide 0.1407 0.1605 0.7453 0.1407 0.6529 0.4583 1.6948 0.9565 1.3148 0.7122 1.3097 1.1698 0.1840 0.5751 0.4805 0.1407 0.3102 0.1407 2.6812 1.9684 1.4587 1.3248 1.3294 0.8569 1.5723 1.5574 1.3306 2.0158 0.9957 1.3224 1.0835 0.1407 0.3679 0.4704 0.1407 0.5614 0.1407 0.1407 0.1407 0.1407 0.1407 2.0298 1.7476 2.1490 1.7804 0.9009 1.3717 0.6315 0.6050 0.5562 0.1407 0.1407 0.1407 0.1407 0.1407 0.1407 0.1407 0.1407 0.1407 1.0920 1.9863 1.6335 0.9294 1.0000 1.4268 0.7138 0.6009 0.5104 0.1407 0.1407 0.1407 alpha-hydroxyisocaproate 0.5116 0.3549 1.2740 0.5332 0.3549 0.4960 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 1.6426 0.9103 0.6364 0.8425 2.1525 0.3549 0.5104 0.6546 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 3.1934 1.0000 0.9227 1.1496 1.4499 1.5181 1.4462 1.8387 0.5315 0.8880 0.3549 0.7797 0.3549 0.3549 0.3549 0.3549 0.3636 10.7133 14.0149 17.5782 0.6801 1.4996 1.1905 2.3024 3.8419 0.7321 0.8925 0.6260 0.5577 0.3549 0.3549 0.3549 0.3549 0.3549 0.3549 5.7311 19.7091 1.3949 alpha-muricholate 0.1817 0.0165 0.0111 0.1210 0.0056 0.0181 1.7777 0.4593 0.1246 0.2406 1.6653 1.3502 0.0494 0.0046 0.0046 0.0640 0.0782 0.1320 0.0046 0.0057 0.0120 0.0067 0.0061 0.0095 0.0849 0.0046 0.3232 2.7480 0.0736 2.0275 0.0596 0.0046 0.0901 0.0270 0.0109 0.0546 2.4733 1.3056 2.5130 2.1069 1.3243 33.6323 124.8979 89.4547 123.0077 42.6941 39.9926 2.9054 1.1777 1.2526 0.1463 1.2076 0.6789 0.6793 1.0062 1.8135 0.4648 1.1489 1.0000 76.2870 90.9920 16.5826 3.1700 127.2271 54.2318 29.5054 4.0641 1.1863 2.0047 0.9480 0.3851 amoxicillin 2.4725 1.5002 2.6538 2.4922 3.3987 1.9231 1.5452 2.0253 1.1257 1.6086 0.3988 0.5534 0.2128 0.1076 0.2493 0.3279 0.8607 0.7596 4.6514 2.7428 2.9150 2.5350 1.7808 1.8888 1.7191 0.8216 0.5972 0.4517 0.3725 1.4270 0.3451 0.0209 0.4031 0.6749 0.0222 0.8743 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 0.0209 apigenin 1.5252 1.2566 5.2894 1.0000 1.8327 9.7237 0.3284 0.5537 0.3756 1.0088 0.8390 0.3995 0.5559 1.4134 0.4378 5.7895 3.8968 2.2415 2.0371 3.7252 2.4963 3.2777 6.6852 3.5019 0.2456 0.4076 0.4077 0.3663 0.9710 0.9925 1.4842 1.2193 0.9216 5.0002 2.4972 8.8992 0.7208 0.7676 0.7643 1.0416 0.8730 0.4980 0.7636 0.7539 0.7521 1.0704 0.9485 0.2967 0.9493 0.7857 6.6691 1.0678 2.5285 1.3337 0.4929 0.6903 2.6355 1.1031 0.7355 0.8480 1.2915 1.2681 0.1609 0.5547 0.7453 2.1308 0.1793 0.5424 3.4051 1.1710 1.3963 apigenin 7-O(6-malonyl-beta-glucoside) 0.0307 0.0307 1.1160 0.0307 1.0000 0.4474 3.2478 2.9748 9.2625 2.7050 0.9971 0.4123 0.5573 0.1807 0.0995 0.9278 0.5042 0.0779 1.0608 0.6907 1.1295 1.1248 0.8027 1.1201 10.2299 13.4201 3.7360 1.9920 5.2599 1.1288 0.8377 0.7717 0.3544 0.9923 6.4949 0.7199 0.0307 0.0307 0.0307 0.0307 0.0307 7.2906 4.2294 0.7243 3.0110 2.9776 4.5162 0.1956 3.7510 0.8687 1.1566 0.4160 0.4537 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 2.6511 1.4205 1.2772 0.3238 0.3939 2.3772 0.5008 0.0307 0.6223 1.5435 0.1305 0.5742 apigenin glucuronide (2) 0.0900 0.0900 0.0900 0.0900 0.9072 0.0900 2.3897 3.0955 10.8401 2.3049 7.4317 0.6351 0.4236 2.0946 0.1568 0.0900 0.1985 0.0900 0.9891 0.3361 0.5751 1.2113 0.1690 0.4623 4.9356 8.5435 3.8927 3.4102 3.9111 2.6257 1.2691 0.3795 0.6654 0.3566 1.2221 0.0900 0.0900 0.0900 0.0900 0.0900 0.0900 2.9247 1.8453 0.9955 1.4472 1.5375 2.0350 0.2012 1.0045 0.4581 0.2994 0.0900 0.0900 0.0900 0.0900 0.0900 0.0900 0.0900 0.0900 1.7973 1.8653 1.9209 0.5588 0.7622 1.3395 0.7666 0.0977 0.2147 0.5859 0.0900 0.1388 arachidate (20:0) 0.5040 0.1093 1.2858 0.5142 0.9837 0.7829 0.6519 0.4819 1.0456 2.0401 1.2999 2.6413 2.0843 3.4856 4.2697 0.2268 0.2027 0.3596 0.8340 1.0779 1.0000 0.4971 0.6984 0.4269 0.3261 0.4595 1.5926 0.9097 1.7996 1.0483 2.6132 2.7206 2.0701 0.5354 0.1066 0.7114 0.9480 0.4908 0.4484 0.2590 0.5670 1.0875 1.3351 1.5740 2.4771 2.6098 1.6484 4.4309 2.4340 3.3623 0.1852 0.2237 0.1186 1.1865 1.1092 0.6988 0.5016 0.2961 0.6896 1.4928 2.2360 2.0028 1.1620 4.2686 2.2669 4.3553 3.2509 4.3005 0.0967 0.2068 0.2095 arachidonate (20:4n6) 0.5490 0.0182 0.8385 0.4661 0.6027 0.5818 2.7395 0.9900 1.3154 7.4191 5.4009 12.9382 15.1085 11.5809 16.7334 0.0515 0.0716 0.4993 0.2945 0.5758 0.4194 0.4467 0.8309 0.4359 0.7803 1.7003 2.2310 8.0525 10.5598 3.6525 14.4168 15.8227 13.9794 0.2294 0.0473 0.3038 0.6614 0.3192 0.3066 0.1824 0.3901 4.6647 4.3955 10.8772 7.6998 9.1907 11.2040 15.6025 9.7984 12.2819 0.0838 0.0520 0.0318 0.6466 1.0906 1.0000 0.5953 0.7391 0.5005 5.6139 6.8769 3.8327 9.3729 12.2878 11.9730 10.9239 12.9881 15.7129 0.0459 0.0497 0.4466 azelate (C9-DC) 3.4218 0.5399 2.9671 2.4995 1.1332 1.5980 0.8845 0.9212 1.0504 1.0853 0.7295 0.8373 0.4870 0.5451 0.8837 0.8205 0.7031 1.8986 2.4789 2.1965 1.8182 1.2244 1.1709 0.9389 1.0646 0.9811 0.9881 0.6603 0.9550 0.8582 0.5469 0.7843 0.8122 1.1002 1.1617 0.6461 3.1051 3.0263 4.2513 2.7007 3.6122 1.2523 1.0254 0.8388 0.7972 0.5621 0.9512 0.4692 0.5538 0.6509 1.3227 1.8921 1.7692 2.9807 3.5819 4.1243 2.2529 2.7957 2.9786 1.0000 0.8467 2.0308 0.4443 0.5583 0.8390 0.7227 0.4142 0.6348 1.6711 2.1057 0.6707 benzoate 1.8156 0.5765 0.7635 1.0312 0.9165 1.1471 0.5924 0.8025 0.9743 0.7862 0.9906 1.3151 1.4518 2.0904 1.7742 0.2761 0.4862 0.2566 1.2714 1.0402 0.6795 0.7693 1.0961 0.9739 1.1233 0.6826 1.4195 0.7817 1.0358 0.7951 1.1956 2.1181 1.3257 0.6922 0.1993 0.2761 1.1574 1.3415 1.3139 1.0334 0.8639 1.0000 1.0690 0.9832 1.2132 0.9720 1.1475 1.8801 1.4113 1.5221 0.4141 0.1898 0.1640 1.1051 1.3398 1.4126 1.2998 0.9116 1.0755 1.0597 0.8417 0.9554 1.7795 0.9061 0.9943 0.7609 2.4590 1.6390 0.1485 0.2061 0.1062 beta-citrylglutamate 1.5876 7.0587 20.1265 1.2657 13.1882 13.6075 1.3646 4.0955 3.2545 1.3993 1.9525 0.3732 0.4185 0.7921 0.2282 0.3146 0.3738 0.1772 25.3870 26.6052 18.9424 11.8130 15.9993 9.6539 5.0741 5.1335 3.4101 0.9763 2.5596 1.5388 1.0000 0.3127 1.1778 1.2081 0.3245 1.0631 1.0790 1.1788 0.9660 0.3794 0.4679 1.9834 1.0477 0.5067 1.0884 3.2653 0.7710 0.5322 1.5277 0.4955 0.1895 0.1772 0.1772 0.9824 0.7550 1.2252 0.5678 0.3812 0.3953 0.5628 0.6185 0.7413 0.4703 0.3909 0.9213 0.3299 0.4487 0.4381 0.2467 0.1772 0.1772 beta-muricholate 1.3001 0.0577 0.0390 0.6757 0.0155 0.0739 0.0155 1.0570 0.4165 0.0155 0.0155 0.0155 0.2269 0.2949 0.4049 0.3618 0.4121 1.0381 0.0240 0.0311 0.0379 0.0506 0.0367 0.0356 0.7829 0.0374 0.8616 0.0155 0.0155 0.0155 1.2947 0.0497 0.3897 0.1633 0.0782 0.2868 12.6103 10.6484 14.3463 10.4871 8.3888 0.0155 0.0155 0.0155 0.0155 0.2218 0.0155 15.1338 6.8026 16.9832 1.0000 7.6627 4.2798 3.7578 7.5005 8.5497 2.2888 6.8702 5.1052 0.0155 0.0155 47.8060 0.0155 0.0155 0.0155 0.0155 15.4442 4.8021 6.1499 5.9062 1.3417 bilirubin degradation product_ C16H18N2O5 (1)** 2.5827 0.2329 1.3271 2.1628 0.9253 1.2111 0.7371 0.5124 0.4118 0.5537 1.3539 1.1748 0.3436 1.5904 0.4263 0.9428 2.8105 0.6076 0.7426 0.9317 1.4438 0.5856 0.8940 1.1158 0.2329 0.3689 0.6546 0.5251 1.4489 0.7634 0.6790 0.2697 0.9060 0.2329 0.2329 1.1004 1.8961 2.3957 2.2505 2.4100 2.4363 0.8239 0.9550 1.7638 1.2945 0.8387 1.1807 0.5296 0.6178 0.6932 0.2788 1.5023 1.3477 1.9312 2.0771 1.7884 1.7448 2.2451 2.0436 0.5842 1.1435 1.0450 0.5408 1.2630 1.1441 0.2329 0.5577 0.2329 0.2329 0.8467 0.2329 bilirubin degradation product_ C16H18N2O5 (2)** 2.6962 0.2329 2.1368 2.2999 1.0017 1.6931 0.8929 0.6144 0.6886 0.5932 1.7746 1.3353 0.2329 1.0300 0.2832 0.4247 0.7724 0.6058 1.2342 1.2056 1.7284 0.8430 0.9389 1.1559 0.4554 0.3456 0.6650 0.6541 1.5691 0.8731 0.2329 0.2329 0.4923 0.2329 0.2329 0.6435 1.7750 2.2666 2.3440 2.6096 2.4708 0.8398 0.9983 1.9156 1.7554 0.7577 1.1290 0.2329 0.4050 0.5344 0.2329 0.9580 0.9591 2.0629 1.9014 1.9658 1.8986 2.5162 2.1737 0.7327 1.3410 0.9966 0.5396 1.5319 1.0543 0.2329 0.4100 0.2329 0.2329 0.6369 0.2329 bilirubin degradation product_ C16H18N2O5 (3)** 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.8724 0.4318 2.7991 0.4318 1.0270 4.6345 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 2.4163 0.4318 0.9164 0.4318 0.4318 0.4318 0.4318 1.4952 0.4318 0.4318 0.9733 0.7258 1.3143 0.4318 0.4318 2.1391 1.0267 0.4318 0.4318 0.4318 0.4318 0.4318 0.4318 1.6246 0.9333 0.4318 0.4318 0.4318 1.6351 1.6166 0.5578 0.4318 0.8500 0.4318 0.4318 0.4318 0.7194 0.4318 0.4773 0.4318 0.4318 0.8603 0.4318 bilirubin degradation product_ C16H18N2O5 (4)** 0.3290 0.2046 0.2046 0.6194 1.1985 0.8641 0.2046 0.2046 1.0492 0.2046 1.0827 0.6356 0.5652 2.8017 0.6617 2.2669 7.4543 1.4739 0.2674 0.4144 1.2620 0.9980 1.6200 2.3645 0.2046 0.8692 0.2046 0.2046 0.8717 0.2046 1.0020 0.6682 1.8927 2.2755 0.2046 4.6414 0.2046 1.2766 1.2233 0.9165 1.3435 0.4129 1.1427 1.0674 1.0358 1.7212 0.5954 0.6580 1.7949 0.3918 1.2990 2.2288 1.5850 0.8131 0.4043 0.5828 3.6585 3.7574 1.2472 0.5044 0.7785 0.3048 0.2046 0.9444 0.4469 0.6689 0.4491 0.2046 0.4009 2.0916 0.2046 bilirubin degradation product_ C17H18N2O4 (1)** 0.0666 0.3595 0.0666 0.0666 1.0357 0.0666 2.0601 4.8128 2.4546 1.4788 3.1155 0.0666 0.0666 0.0666 0.0666 0.0666 0.3101 0.0666 0.5351 0.3382 1.7349 0.5156 0.5451 0.6754 2.3235 4.3732 6.0825 1.2742 0.7479 2.7433 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.3582 0.0666 0.0666 0.3166 0.0666 2.3661 0.9436 0.9643 0.0666 0.0666 1.4585 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.3715 0.7382 1.1958 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 bilirubin degradation product_ C17H18N2O4 (3)** 0.3665 0.5311 0.4273 0.1200 2.4884 0.3951 8.1815 14.2749 9.2958 5.8336 12.6710 0.8318 0.1200 1.1508 0.1831 0.1200 0.9181 0.1200 0.9111 1.0760 2.6834 1.3523 0.6974 1.3626 8.9275 16.7134 21.0332 5.4865 3.3330 11.9626 0.7188 0.1200 0.6331 0.1200 0.1200 0.3541 1.1173 0.1200 0.9480 1.0520 0.4312 8.7050 4.2595 4.2276 1.1104 0.5236 5.4469 0.1200 0.4002 0.5738 0.1200 0.1200 0.4384 0.1200 0.1200 0.1910 0.1641 0.1200 0.1200 1.7928 3.0288 5.6572 0.3690 0.5934 0.8009 0.3790 0.1817 0.1366 0.1200 0.1200 0.1200 bilirubin degradation product_ C17H20N2O5 (2)** 0.1819 0.1819 0.1819 0.1819 0.5801 0.1819 1.6633 5.1502 3.1375 0.7168 1.3115 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.9734 0.1819 0.1819 0.1819 4.1915 4.5836 8.3304 0.1819 0.1819 2.0820 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.2716 0.1819 0.1819 0.1819 0.1819 1.3735 0.3783 0.3100 0.1819 0.1819 0.6961 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.2867 1.0000 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 0.1819 biochanin A 1.1795 0.5788 4.0348 0.5370 1.6339 5.2722 0.1370 0.5448 0.3778 1.0022 0.6173 0.4151 0.8208 1.3429 0.4879 1.2711 2.6640 1.4258 1.2304 6.5955 2.0718 1.9865 10.7706 2.2242 0.1370 0.5611 0.5649 0.1370 1.2949 0.5814 1.3075 2.5446 0.9848 2.4039 1.8766 5.6680 0.1370 0.3454 0.3491 0.3955 0.3917 0.1370 0.1370 0.1370 0.1370 2.1990 0.9673 0.1660 4.8899 0.8230 3.4638 0.7145 1.6243 0.9731 0.3675 0.3927 3.4520 2.1918 0.6317 0.1370 0.1370 1.1532 0.1370 0.3749 0.1370 2.0328 0.1757 0.3644 0.9978 0.7423 1.0762 biopterin 1.2212 0.3817 0.6905 0.3817 1.0549 1.0660 0.5467 2.1480 0.9862 1.4426 0.3817 0.8192 0.3817 0.3817 0.4464 1.3770 1.9874 2.2384 0.6712 1.0138 1.3703 0.8178 0.9225 1.4175 1.1907 1.8533 1.6235 0.7212 0.3879 1.2899 0.7754 0.4367 0.9578 1.0767 0.3817 2.3154 4.0547 2.7850 2.5575 0.8410 0.6844 0.6859 0.3817 0.3817 0.3817 0.3817 0.4182 0.3817 0.3817 0.7198 0.3817 0.9674 0.6009 2.6580 2.9781 5.5193 0.7914 0.3817 1.0964 0.8940 0.3817 0.7136 0.3886 0.3817 0.3817 1.4034 0.3817 0.7539 1.0520 0.8054 2.2113 butyrate/isobutyrate (4:0) 289.7627 0.8541 6.5855 11.8727 1.3350 0.8882 3.9126 3.3345 14.9387 0.4683 0.6134 0.7665 0.4131 0.4917 0.3836 0.0329 0.1002 0.0329 0.8441 1.4383 1.0006 1.0633 0.2190 0.5328 3.7488 4.9565 8.0590 0.5530 1.2634 2.3440 0.2135 0.7110 0.5966 0.0329 0.0943 0.0996 237.5167 156.2910 302.7661 5.5708 3.1216 6.2478 2.0244 4.5224 0.7449 0.7234 1.5230 0.3050 0.5411 0.8101 0.0526 0.0329 0.0512 230.4739 136.4665 203.8209 12.1989 1.5075 3.7795 5.4932 1.6673 6.9339 1.0000 0.3652 0.4988 0.4625 0.6707 0.2895 0.0329 0.0704 0.0759 caprate (10:0) 1.1313 0.5237 0.8775 0.7589 0.6322 0.7360 0.8978 0.8349 4.4159 0.8567 1.3264 1.2499 1.2090 1.5433 1.3854 0.5721 0.4818 0.5127 1.0345 0.7293 0.6346 0.6315 0.6891 1.0271 1.1985 0.9080 1.7341 0.8592 1.0000 0.8182 1.1404 1.5447 0.9788 0.7179 0.4905 0.5289 0.9815 0.9968 0.9692 0.8370 0.6930 2.3363 1.1101 1.4477 1.7286 1.2512 1.1349 1.6742 1.5251 1.7372 0.4545 0.4711 0.4675 0.8281 1.0759 1.3035 1.3141 1.2954 0.8677 1.9819 1.0955 1.2934 1.4039 1.5337 1.4029 1.5764 1.4733 1.8261 0.5643 0.4208 0.3611 caproate (6:0) 8.3745 0.5246 0.9791 1.0800 1.0482 0.6262 1.6379 1.6902 6.6616 0.8555 1.1956 1.3923 0.9753 1.6315 1.3173 0.2455 0.1970 0.2788 0.6656 0.6180 0.5769 0.5927 0.4548 0.6211 1.9850 1.8615 3.6564 0.8830 1.1892 0.8827 1.4501 0.8334 0.9485 0.3254 0.3169 0.2407 4.5668 2.7155 4.3906 0.8431 0.5474 3.4954 0.9423 2.2889 1.4854 1.0215 1.0169 0.9107 1.0000 1.4241 0.3648 0.1860 0.4193 3.2039 3.4200 4.8092 0.9509 0.8689 0.5597 2.8006 1.2132 1.4179 1.4945 1.0268 1.4214 0.8268 1.4321 1.0102 0.2771 0.2085 0.2749 caprylate (8:0) 1.0799 0.7417 0.9639 0.8694 0.7847 1.0071 0.9964 0.9822 1.2853 0.9816 1.2325 1.2537 1.1343 1.0079 1.2357 0.7255 0.7280 0.7083 1.4826 1.0381 0.9216 0.8833 0.7911 0.8801 1.3431 0.9718 1.1966 1.1311 1.0844 1.0473 1.0086 0.8227 1.0354 0.7059 0.6570 0.7199 1.0000 0.9262 1.1013 0.8866 0.7318 1.3339 1.0931 1.0125 1.2167 0.7816 1.1841 1.1133 1.1545 1.0960 0.7099 0.6969 0.7233 0.9628 1.0615 1.2426 0.9073 0.7816 0.9200 1.3247 1.0927 1.1572 1.4307 1.0135 1.2068 1.0429 0.9210 0.9878 0.8153 0.6989 0.7489 catechol sulfate 0.3361 0.0235 0.3225 0.0296 0.0185 0.1786 1.9335 2.3144 0.7173 10.3129 0.7926 7.8703 1.5329 0.2221 2.4798 0.3274 1.3999 0.7104 0.0096 0.0322 0.0366 0.0096 0.0297 0.0096 0.2319 1.4179 0.4252 0.0913 2.0325 3.3336 0.0792 0.5285 1.5313 0.0533 3.0794 1.0233 0.0369 0.5067 0.3945 0.0096 0.0294 6.9821 2.6518 1.3449 2.1842 1.1175 3.9227 0.9767 1.9698 1.5520 0.2522 1.5066 1.7096 1.0245 0.2926 0.0745 0.3418 0.1002 0.0232 18.1854 3.8445 3.9630 6.8544 4.1007 2.0625 10.9113 1.2190 1.2320 6.6173 0.5161 0.4808 chenodeoxycholate 0.3082 0.0833 0.1291 0.2091 0.0804 0.1828 2.1280 3.6470 1.6993 3.6974 3.4857 2.4673 0.5587 0.8990 0.8123 0.6163 0.8656 0.4246 0.0122 0.0239 0.1832 0.0450 0.0478 0.1582 0.2026 0.0230 3.5473 0.7577 0.0706 4.7070 1.0438 0.0569 1.8534 0.5187 0.5011 0.7252 1.1387 0.4887 1.0000 1.7772 0.8465 21.6283 27.0612 96.3777 48.2097 31.7074 24.5535 15.2278 10.0328 14.8016 0.7670 2.5656 0.9862 0.4961 0.3823 1.1635 0.9845 1.1659 0.9833 70.8977 70.0619 41.1785 31.8178 41.5803 69.7710 23.7039 28.0291 4.8222 4.9776 2.5145 0.9866 chenodeoxycholic acid sulfate (1) 0.7396 0.1505 1.2264 0.7925 0.7841 1.3376 0.8131 1.1580 0.9773 0.9578 1.3690 0.7176 0.1014 0.3518 0.2278 0.9550 1.2160 0.7795 0.3309 1.1051 1.2085 0.3072 1.0740 1.2154 0.4378 0.2333 1.0227 0.4633 0.1453 1.4334 0.1679 0.1014 0.3527 0.2188 0.1470 1.5541 3.4549 5.5328 2.9803 3.5730 2.8187 1.8706 2.9002 2.8721 3.0254 1.0865 1.1713 0.5500 0.5260 0.5153 0.6174 2.9246 2.5416 0.8086 2.0549 1.4394 0.8256 3.0697 1.6109 2.5195 1.7211 3.2792 0.7233 1.7397 1.9204 0.6397 0.6237 0.2880 0.1373 1.6252 0.1474 chenodeoxycholic acid sulfate (3) 0.6671 0.3022 0.7557 0.6151 0.6484 0.9636 0.3022 0.3022 0.3022 0.3022 1.7463 0.4083 0.3022 0.7366 0.3022 1.0412 0.3022 0.5536 0.3546 0.8415 1.2957 0.3848 0.9847 1.2443 0.3022 0.3022 1.6968 0.5251 0.3022 1.7558 0.4515 0.3022 0.4343 0.3022 0.3022 1.1631 1.3365 1.7742 1.2450 1.2137 1.3864 0.3022 0.8790 1.1407 1.0132 0.3022 0.3022 0.3022 0.3022 0.3022 0.3022 1.6404 1.4797 0.6603 1.2221 1.3037 0.6847 1.6636 1.7720 0.5296 1.5208 1.8968 0.3022 0.9520 0.9868 0.3494 0.3022 0.3022 0.3022 1.3653 0.3022 cholate 0.1818 0.0641 0.0480 0.0510 0.0358 0.0792 3.4511 5.1983 1.8423 5.0953 3.6197 2.2615 0.6912 0.6850 1.0000 0.3300 0.3994 0.1553 0.0227 0.0178 0.0488 0.0477 0.0323 0.0411 2.0158 0.1301 4.0249 3.4459 0.1570 4.3936 2.2869 0.0449 1.2531 0.3369 0.3054 0.2336 0.3296 0.1401 0.2260 1.1905 0.1375 19.0115 37.9121 47.5214 37.9256 29.6277 20.5111 19.9273 14.6016 16.3476 0.4430 2.0216 0.3076 0.1756 0.0981 0.2661 0.4881 0.8040 0.1572 38.1318 42.1321 34.2976 29.2779 35.7569 38.0094 21.5544 23.5831 9.9668 7.4932 2.3866 1.2599 cholate sulfate 1.1170 0.2109 0.9557 0.9228 1.3024 0.7614 0.4057 1.3822 0.4505 1.0000 0.8597 0.4906 0.1607 0.2814 0.1258 0.5713 0.9859 0.6981 0.9724 1.4244 2.0315 0.5548 1.0000 1.3077 0.4031 0.1564 1.1474 0.4613 0.0875 1.1540 0.2063 0.0464 0.3517 0.2589 0.0464 1.0945 1.3117 5.1769 2.1520 1.0497 2.0748 0.7557 3.4092 3.0995 3.4905 1.4821 0.4642 0.8892 0.9626 0.2166 0.4482 3.7621 1.2709 0.8049 2.4830 2.7424 0.6802 2.9213 2.3076 1.2315 4.3598 4.6507 1.3581 2.5980 3.2157 1.9864 1.2882 1.3121 0.4712 2.1623 0.2934 chrysoeriol (3^-O-methylluteolin) 1.2720 0.2431 1.1608 0.2431 0.6891 3.5071 0.2431 0.2431 0.2431 0.3538 0.2431 0.2431 0.6623 0.6425 0.2431 3.1806 4.5874 1.5978 0.6262 1.8518 0.9239 0.7296 4.8698 0.7615 0.2431 0.2431 0.2431 0.2431 0.8901 0.2431 1.3576 1.7724 0.3047 5.9040 1.9813 6.4701 0.4148 0.2431 0.5308 0.2431 0.2431 0.2431 0.5162 0.2431 0.8093 1.5877 0.9983 0.2431 2.7626 1.1190 7.6789 1.1486 3.0826 0.2431 0.2431 0.2431 1.0000 0.9615 0.2431 0.4551 0.2431 0.4590 0.2431 0.2431 0.6585 1.6519 0.2431 1.1183 5.6065 0.9406 0.7958 citrate 0.8394 0.7422 1.5744 0.9018 2.0512 1.7051 0.8496 0.7045 1.0000 0.8455 0.5686 0.6992 1.2126 0.6674 0.7733 3.6772 1.9028 1.2264 1.6674 1.6333 2.0433 2.0139 2.0410 1.9480 1.0090 0.9576 0.6584 0.5713 1.6135 0.5768 1.4234 2.5043 1.0739 9.8458 7.2666 4.7873 0.5748 0.6606 0.6865 0.3387 0.4527 1.3635 1.4266 0.6023 1.1315 1.7844 1.3776 0.4823 2.4186 1.8915 15.5857 1.2230 0.9213 1.9414 0.9955 0.7574 2.7155 0.6439 0.6888 0.8292 0.7376 0.6341 0.7344 0.7052 1.5863 1.1974 0.6490 0.8524 4.0504 0.6499 0.0928 coumestrol 3.5439 0.2933 0.7841 3.2691 0.8840 1.3539 0.3495 0.2633 0.4798 0.9458 0.8834 1.4248 0.9504 0.7472 0.8722 3.4962 0.9890 5.2666 0.6288 1.0666 0.9987 1.5333 1.0534 1.0000 0.1476 0.2148 0.6061 0.2087 1.2385 0.3265 0.7947 1.2259 0.5942 1.2056 4.4784 2.0457 1.4797 1.8520 1.9718 2.0536 2.1164 0.2516 0.6303 0.9284 1.0096 1.1154 0.5229 0.3976 8.7563 0.8396 3.0922 1.9964 1.1164 3.4810 2.4722 2.8812 5.9820 3.2207 4.4252 0.7286 1.0407 0.9451 0.4118 0.6687 0.8251 1.6694 0.3469 0.5226 2.2992 1.3590 0.9233 cyclic adenosine diphosphate-ribose 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.2167 0.1322 0.1322 0.2525 0.2709 0.3084 2.4953 6.2559 2.7907 0.1322 0.8072 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.4292 0.6690 1.8007 1.7732 6.3896 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.4304 0.6179 0.5788 1.3329 0.5327 0.4496 2.1483 2.7692 1.0960 1.0000 8.7102 2.3041 0.1322 0.1322 0.1322 0.1322 0.1322 0.1322 0.3879 0.1322 1.1752 0.2220 1.2468 0.6686 2.8186 3.7074 3.3533 0.2907 5.1481 0.4202 cyclic(AMP-GMP) 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 1.0880 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 4.3630 0.3346 0.3346 0.3346 11.3319 6.1173 0.3346 0.3346 0.3346 0.3346 0.3346 0.7557 0.3346 0.3346 0.3346 0.3346 0.3346 1.1744 0.3346 0.3346 2.1085 0.9120 0.3346 0.7424 0.5395 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.3346 0.6749 0.3346 cyclo(pro-arg)* 2.4078 0.7312 3.2458 2.5895 2.8475 2.6390 1.5210 1.6502 2.0891 1.4756 1.0314 0.6033 0.2137 0.1783 0.3287 0.9921 1.0915 1.1274 3.9275 3.2785 3.5854 2.8133 2.5760 2.6747 2.5861 1.7091 1.1252 1.0397 0.4969 1.4794 0.6057 0.1866 0.5120 1.4190 0.3485 1.7602 0.0233 0.0233 0.0233 0.0233 0.0233 1.6429 1.0000 0.2311 0.5672 1.2429 0.3770 0.0233 0.7840 0.0233 0.7614 0.0715 0.1018 0.0233 0.0233 0.0233 0.0233 0.0233 0.0233 0.5754 0.2201 0.3532 0.1909 0.0233 0.6479 0.1473 0.0233 0.0648 0.1959 0.0233 0.0233 cyclo(pro-arg) (D_L)* 2.0741 0.5199 2.2435 2.1071 1.6442 1.8450 1.1654 1.0269 1.3351 0.8834 0.8167 0.5172 0.1862 0.1862 0.1862 0.7071 0.7154 0.9906 2.4584 2.0698 2.2865 1.6075 1.6530 1.6746 1.4803 1.0044 0.7717 0.6436 0.1862 0.8046 0.1895 0.1862 0.2741 0.7313 0.1862 1.2800 1.2717 1.6042 1.5514 1.8338 1.7664 1.2968 0.9252 0.8392 0.6596 0.8405 0.5829 0.1862 0.3719 0.1862 0.6197 0.5849 0.8959 1.8872 1.4744 1.2999 1.9706 1.9296 1.6242 0.7759 0.3569 1.0000 0.1862 0.5774 0.7859 0.1862 0.1862 0.1862 0.2173 0.8132 0.1862 cysteine s-sulfate 0.0384 0.2227 0.0628 0.0161 0.1284 0.0362 2.1140 1.0340 0.2990 2.9948 2.8271 5.0309 2.2072 2.7351 2.5592 0.0026 0.0567 0.0047 0.2598 0.1203 0.2222 0.1541 0.1076 0.1235 0.7471 1.0000 1.3216 3.5403 3.4312 2.1133 3.9202 0.9743 3.4075 0.0382 0.0026 0.0990 0.0204 0.0146 0.0199 0.0222 0.0192 1.6775 1.4616 3.0773 2.2423 1.0176 4.0407 1.4256 1.3121 2.0553 0.0026 0.0026 0.0035 0.0121 0.0117 0.0165 0.0260 0.0323 0.0148 2.4978 2.5430 1.7491 3.9768 3.5560 3.2201 2.4904 1.4700 1.4538 0.0026 0.0026 0.0026 cytidine 2^_3^-cyclic monophosphate 0.2948 0.2948 0.2948 0.2948 0.2948 0.4959 0.2948 0.2948 0.2948 0.2948 0.2948 0.2948 0.6640 0.2948 1.6411 0.7732 0.2948 56.1614 0.2948 0.2948 0.2948 0.2948 0.2948 0.2948 0.2948 0.2948 0.2948 0.2948 0.5313 0.2948 1.1525 0.2948 0.7545 0.2948 1.7953 0.3032 3.3285 0.5348 0.5010 2.8475 0.2948 0.2948 0.2948 0.2948 2.1856 1.2089 0.9679 0.6510 0.5833 0.9705 3.5479 0.2948 1.8195 1.5272 2.1841 8.2081 0.2948 0.2948 4.7403 0.2948 0.2948 0.2948 0.2948 0.2948 0.8660 3.4551 0.8182 0.2948 0.5820 1.0295 0.2948 daidzein 0.3335 1.1411 2.3771 0.1476 1.2181 3.3213 0.5010 0.1893 0.3032 1.0696 0.6164 0.4165 0.6700 0.9745 0.2701 7.8080 4.9108 2.4624 1.2097 2.3405 1.5185 1.5332 3.6722 1.4257 0.2299 0.3825 0.3194 0.5237 1.4852 0.4692 1.3229 1.6969 0.4066 7.7748 3.0596 5.8175 0.6851 0.4232 0.3696 0.2070 0.1907 0.7396 1.0472 0.7563 1.8833 2.2427 1.1639 0.3849 2.7149 0.9924 8.7141 3.7950 6.1324 0.6442 0.6298 0.3728 1.3179 0.5484 0.1881 1.0395 1.2369 1.0000 0.2836 0.8624 0.9919 2.3948 0.2769 0.7411 9.3640 3.4848 1.7897 daidzein 7-O-glucuronide 0.0062 0.0062 0.0075 0.0062 0.7578 0.0081 2.9820 3.1684 8.2479 3.2858 5.7162 0.8936 0.7102 1.7993 0.2362 0.0097 0.0426 0.0062 1.0944 0.2004 0.6876 0.9975 0.0780 0.3405 6.7035 8.8741 4.9050 4.1062 3.8312 2.7537 1.6101 0.6221 0.6314 0.0760 0.1199 0.0246 0.0062 0.0062 0.0062 0.0062 0.0062 3.1603 1.8749 1.0025 1.4414 1.4419 2.0860 0.3290 1.4927 0.5674 0.0062 0.0110 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 0.0062 2.5597 2.2316 1.8892 1.0590 1.0454 1.1240 0.9816 0.3105 0.3314 0.0939 0.0062 0.0079 daidzein sulfate (1) 0.0015 1.2283 1.2353 0.0015 4.5355 0.4192 1.8916 2.3681 5.3068 3.1797 3.5493 0.5050 0.5420 1.1183 0.1491 0.0154 2.4107 0.0106 4.3012 3.3062 5.4720 4.3371 1.8083 5.2331 3.7594 4.6514 3.0972 2.9727 1.7757 3.3291 1.2817 0.3829 1.1611 1.5434 0.0156 3.5466 0.0015 0.0015 0.0038 0.0036 0.0032 1.8524 1.7287 0.9072 1.0199 1.0912 1.0000 0.2473 0.9742 0.2811 0.0039 0.0168 0.0145 0.0050 0.0020 0.0015 0.0386 0.0131 0.0028 1.7341 1.9544 1.6154 0.5315 0.8231 0.6968 0.5707 0.2067 0.1941 0.0473 0.0152 0.0088 daidzein sulfate (2) 0.0014 1.3133 0.2851 0.0014 4.4815 0.0083 2.7139 2.2633 4.8757 2.7395 2.5538 0.6937 0.4663 0.5731 0.1755 0.0143 0.9510 0.0036 3.7375 1.9477 4.5205 3.6788 0.4855 4.1760 3.3543 4.2304 2.8007 2.2492 1.8266 2.2950 1.0490 0.3418 0.8486 1.3956 0.0959 1.7561 0.0014 0.0014 0.0017 0.0038 0.0021 3.1209 2.5942 1.1129 1.6477 2.0062 1.5801 0.2801 1.3196 0.3941 0.0056 0.0300 0.0125 0.0035 0.0014 0.0014 0.0145 0.0066 0.0030 2.4925 2.3792 2.1972 0.6936 1.1435 1.1434 0.8454 0.1888 0.2399 0.1041 0.0196 0.0177 daidzin (daidzein 7-O-glucoside) 0.0909 0.0909 0.0909 0.0909 0.9905 0.1324 2.0355 1.3781 2.9963 2.5088 0.3748 0.0909 0.0909 0.0909 0.0909 0.3381 2.5501 0.0909 0.9824 0.1461 0.6749 1.2198 0.1090 0.5548 3.2104 2.4709 1.4271 0.8460 0.5064 0.5640 0.0909 0.1443 0.0909 14.2584 46.4792 0.4958 0.0909 0.0909 0.0909 0.0909 0.0909 4.0897 2.5229 0.4073 0.8064 1.0095 1.7097 0.0909 1.4166 0.0909 18.8856 0.2666 0.1695 0.0909 0.0909 0.0909 0.0909 0.0909 0.0909 1.3676 1.2636 1.1907 0.0909 0.1407 0.4205 0.2117 0.0909 0.0909 8.2135 0.0909 4.1684 dehydrolithocholate 7.8776 0.0477 0.0477 2.6110 0.0477 0.0477 0.0911 0.0477 0.0477 0.0477 0.0477 0.1066 0.0477 0.0477 0.0758 0.1216 0.0477 0.5338 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0477 0.0672 0.0959 0.1039 32.0289 15.9963 19.6023 11.4017 9.5321 0.5309 1.9443 1.9713 2.3090 0.5227 0.4998 0.3850 0.2233 0.3946 0.3724 1.1298 1.1852 21.9529 22.0197 22.5855 9.6970 2.9286 10.0291 0.9912 1.6647 2.8595 0.2165 1.9872 1.6376 0.2664 0.4424 0.0844 0.2705 1.0088 0.2171 deoxycholate 1.1199 0.0011 0.0032 0.9990 0.0014 0.0105 0.0587 0.0011 0.0011 0.0011 0.0160 0.0696 0.0029 0.0236 0.0896 0.1817 0.0310 1.0010 0.0013 0.0020 0.0022 0.0018 0.0023 0.0012 0.0024 0.0011 0.0011 0.0053 0.0021 0.0011 0.0095 0.0018 0.0011 0.0184 0.0741 0.0218 10.2368 5.0214 7.8845 9.3916 4.9497 2.7851 3.1721 7.6399 8.8128 2.8669 3.7330 3.5286 1.1102 2.1767 0.6746 4.9776 4.1663 1.5669 3.3958 5.6481 1.5500 6.0014 4.7306 1.9722 4.0696 2.7827 1.0496 3.1709 6.1829 0.9631 2.8128 0.4846 0.4630 2.4365 0.3954 deoxycholic acid 3-sulfate 1.0428 0.3160 0.9506 1.3019 0.3160 1.0787 0.4006 0.7371 0.4289 0.3160 1.0000 0.4958 0.3160 0.3160 0.3160 1.3228 0.7521 1.5588 0.3513 1.1900 0.5308 0.4218 1.0039 0.4992 0.5992 0.3160 0.9166 0.9377 0.3160 0.6782 0.3160 0.3160 0.3160 0.4747 0.3160 1.2066 6.4647 3.0077 3.7677 7.4074 4.3173 1.0528 0.6062 1.0615 1.3764 0.3160 1.0081 0.3160 0.3160 0.7036 0.7458 2.8762 5.9541 0.3160 1.5569 0.5695 0.3160 1.5691 0.4898 0.3160 0.3160 0.3160 0.3160 0.6134 0.3160 0.3160 0.3160 0.3160 0.3160 1.0840 0.3160 deoxythymidine diphosphate-rhamnose 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2496 0.6225 0.4006 0.7637 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 1.0000 3.6472 2.4814 0.2313 0.2313 0.2313 0.2313 1.0946 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 1.1514 6.4672 0.2313 digalactosylglycerol* 0.0085 2.0083 7.6422 0.0085 6.1179 5.0331 2.8708 4.2536 7.4394 2.8853 2.8165 0.2551 0.3186 0.2249 0.0085 0.4041 0.9122 0.0105 10.7228 7.6132 8.2452 6.2388 4.7590 5.8417 6.5981 7.8189 3.9493 2.8242 1.0519 2.9210 1.1654 0.1978 1.0240 1.6524 0.2431 2.2942 0.0085 0.0085 0.0085 0.0091 0.0085 1.5316 0.0085 0.1084 0.7631 2.6183 0.7573 0.0085 1.2600 0.0570 0.5773 0.0530 0.0710 0.0085 0.0085 0.0085 0.0246 0.0102 0.0085 0.0397 0.0470 0.0312 0.0151 0.0655 0.9760 0.1954 0.0085 0.0694 0.1107 0.0085 0.0085 dihomo-linoleate (20:2n6) 0.4917 0.0166 0.8857 0.4380 0.4550 0.4355 0.8071 0.4192 3.1087 1.9668 1.7783 4.1155 3.8362 3.6679 4.9570 0.2592 0.1384 0.3466 0.3298 0.6019 0.5168 0.2220 0.5264 0.4344 0.3707 0.6347 1.9324 1.1743 2.6337 0.6424 3.9395 6.4423 2.6232 0.6161 0.1591 0.7221 2.4179 0.9073 0.7561 0.3968 0.7110 3.0406 2.1515 4.4807 3.8365 3.6880 2.6649 6.7462 3.7007 3.8604 0.2881 0.2152 0.1060 1.2930 2.0479 1.9359 0.7543 0.6806 1.0000 3.7631 2.9965 1.8628 3.1155 5.4828 4.1294 5.6742 4.5843 7.3189 0.1020 0.2351 0.2187 dihomo-linolenate (20:3n3 or n6) 0.5118 0.0072 0.4101 0.3491 0.2746 0.2596 1.1376 0.3184 1.2688 3.0702 2.1333 6.2900 5.9092 4.2077 6.3590 0.0508 0.0366 0.1205 0.1530 0.2631 0.2120 0.1612 0.4183 0.1774 0.2100 0.6533 1.2118 2.2004 4.2299 0.7804 5.2821 6.0873 4.6757 0.1179 0.0314 0.2076 1.4216 0.6709 0.5528 0.2784 0.5223 2.8354 2.5550 7.3123 3.4401 4.2744 4.6486 6.9322 3.3976 4.5067 0.0734 0.0768 0.0310 1.0000 1.5541 1.2953 0.3881 0.4866 0.7410 3.9452 4.8196 2.2130 4.6344 7.0685 5.6127 4.4774 5.4985 6.7929 0.0246 0.0824 0.0868 dihydrocaffeate sulfate (2) 13.0772 7.7923 40.0215 4.8534 24.0737 19.3154 7.4833 29.2436 4.7272 33.2309 2.0286 10.8780 4.2377 0.3824 12.1532 0.1253 18.5276 6.1527 0.9311 54.5110 2.0595 0.6251 44.5779 1.0286 1.1967 5.2309 1.0098 0.8900 2.0060 2.9411 0.3476 0.2183 0.8695 0.7813 1.7421 1.0000 0.0395 0.3013 0.2740 0.0506 0.2910 1.1032 0.5661 0.6670 0.2786 0.1981 0.3864 0.0395 0.1714 0.1155 0.0395 0.0647 0.0395 0.6522 0.2586 0.1577 1.2777 0.2523 0.3140 3.7963 0.6215 1.0139 1.3265 0.3846 0.3360 1.7085 0.0395 0.1423 0.8043 0.0395 0.0395 dihydroferulate 3.9843 0.1528 22.6002 2.9591 0.0821 8.3620 0.0821 0.1184 0.0821 0.0821 0.0821 0.0821 0.0821 0.0821 0.3523 11.9822 0.8010 4.0092 0.5093 6.7522 0.2943 0.1683 3.1956 0.0821 0.0821 0.0821 0.0821 0.0821 0.0821 0.0821 0.0821 0.0821 0.0821 2.8071 1.0461 2.3056 0.9590 1.0000 3.6473 1.9189 1.8631 0.8571 0.5603 1.1202 0.6925 0.4536 0.3824 0.0821 0.0821 0.3778 4.4257 3.0846 10.1718 3.0286 1.1967 2.3993 15.2341 12.3814 1.3418 0.5345 0.7056 0.6832 0.2627 0.5799 0.3006 0.4262 0.1158 0.0821 5.9653 0.7293 0.5946 dihydroferulic acid sulfate 0.0599 0.3535 8.4731 0.0599 1.0000 3.3549 1.4319 2.5252 1.5212 2.6222 3.7145 1.2113 0.3793 2.0188 0.4145 0.1948 0.9552 0.0862 22.1832 2.8699 8.5975 13.2367 1.9039 5.0114 4.9659 3.8407 4.3040 5.2522 2.5572 5.6182 4.2502 0.3061 1.7000 8.6256 0.6465 3.6641 0.0599 0.0599 0.0599 0.0599 0.0599 1.0306 0.3761 0.6029 0.2667 0.2587 0.4132 0.0599 0.1185 0.1660 0.0599 0.0599 0.1532 0.0599 0.0599 0.0599 0.2639 0.1008 0.0599 1.2113 0.5920 0.6474 0.4123 0.3191 0.2323 0.4882 0.1381 0.0599 0.2959 0.0599 0.0599 dihydrokaempferol 3.3511 0.0811 0.0811 0.8595 0.0980 0.0811 0.6549 0.0811 0.0811 8.2585 0.0811 0.1828 0.0811 2.6766 1.6992 5.6845 1.8939 10.7369 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 0.2275 0.0811 0.0811 0.4708 0.1086 0.0811 1.7585 1.9702 0.2008 10.2388 2.1715 0.4119 0.0811 0.0811 0.6408 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 2.7118 0.6606 0.9897 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 0.0811 3.9430 0.0811 0.0811 0.1946 0.6109 0.0811 1.2229 5.0302 1.0103 0.9794 DIMBOA 0.2435 0.5826 3.6180 1.0916 1.2717 2.9420 0.5802 0.8113 1.0052 1.0370 0.2435 0.2435 0.2435 0.2435 0.2435 2.0452 1.5926 0.5388 1.5076 5.4663 1.3950 0.8656 3.3786 0.2435 0.7259 0.5352 0.4528 0.2435 0.2435 0.8889 0.2435 0.2435 0.5863 1.1698 0.6896 1.3735 0.2435 0.8362 0.6329 0.8894 0.2435 0.8965 1.1122 1.0149 0.9828 1.2431 0.5480 0.2435 1.2184 0.2435 1.6274 1.0000 0.9267 1.7091 0.5724 0.2435 3.6729 2.0435 0.5817 1.4192 0.6349 0.6174 0.3646 0.2435 0.2435 0.2435 0.2435 0.2435 1.8442 0.2435 0.2435 diosmetin 0.8254 1.0252 3.0360 0.5842 1.0075 5.4917 0.2795 0.2795 0.2795 0.2795 0.2795 0.2795 0.2795 0.3891 0.2795 2.7958 2.3215 1.7274 1.2359 2.6533 1.5332 2.0474 3.6613 2.1525 0.2795 0.2795 0.2795 0.2795 0.2795 0.5471 0.9109 0.4482 0.4688 3.8678 2.0710 7.2615 0.2795 0.5115 0.3498 0.6163 0.2795 0.2795 0.3486 0.2795 0.4426 0.5241 0.2795 0.2795 0.5865 0.3359 4.7340 1.3230 1.9587 0.7434 0.2795 0.4848 1.8277 0.8443 0.4006 0.2795 0.5842 0.6897 0.2795 0.2795 0.2795 1.3038 0.2795 0.2795 3.0472 1.0336 0.9925 diosmin (diosmetin 7-rutinoside) 0.4370 0.4370 0.4370 0.4370 1.0662 0.4370 0.4370 1.0838 1.2451 0.5242 0.6569 0.4370 0.4370 0.4370 0.4370 0.5911 1.1817 0.7954 0.4370 0.4370 0.4370 0.4370 0.4370 1.5923 1.0000 1.1818 0.4370 0.4370 0.4370 0.4907 0.4370 0.4370 0.4370 0.4370 0.4370 0.7116 0.4370 0.4370 0.4370 0.4370 0.4370 0.4370 0.4370 0.7138 0.4370 0.6792 0.4370 0.4370 1.2198 0.4370 4.3780 0.4370 0.4370 0.4370 0.4370 0.4370 0.4370 0.4370 0.9285 0.4614 0.4370 2.2675 2.7163 0.4370 0.4370 0.4370 0.4370 0.4370 1.1017 0.4370 0.4370 docosadienoate (22:2n6) 0.3127 0.0164 0.6260 0.2685 0.6404 0.7440 0.7363 0.3703 1.2722 1.3211 1.1979 1.3489 1.1726 1.4498 1.6546 0.2411 0.1479 0.4608 0.4950 1.0488 0.9069 0.2886 0.6950 0.2568 0.2301 0.3869 1.3780 0.6288 1.4649 0.6578 1.3165 1.4429 0.5964 0.5330 0.1520 0.8630 2.2218 1.0421 0.8081 0.2643 0.7700 1.3678 1.3309 2.8508 1.3049 2.1344 1.3133 1.5016 1.5472 1.6355 0.1330 0.1363 0.0756 1.8256 1.8112 2.0817 0.6019 0.6429 1.0041 1.9048 2.9586 1.6356 1.0000 2.0797 1.7039 2.6377 1.1555 1.8833 0.0957 0.2727 0.1307 docosadioate (C22-DC) 3.8853 0.1735 0.8020 1.9942 0.6356 0.9785 0.6119 0.8781 0.4355 1.5177 1.0553 1.4169 1.3607 2.3335 2.3350 0.4385 0.7593 1.2811 0.4414 0.7851 0.6729 1.0000 1.5262 1.4956 0.4104 3.2577 0.5387 0.7825 11.6701 0.5005 1.4496 3.6810 1.5018 1.5191 1.6100 1.7451 3.4065 0.9147 0.8897 1.0555 0.5571 0.3065 0.5582 0.7417 1.1815 1.7154 1.1488 2.7675 1.4407 2.8925 0.6292 0.2490 0.5771 1.3801 1.0277 2.2674 0.5784 0.3607 0.9697 0.5464 0.7662 0.5089 0.7816 2.0623 1.1392 2.1146 2.0768 2.1969 0.3935 0.5608 0.4459 docosahexaenoate (DHA; 22:6n3) 0.5430 0.0159 0.7365 0.4655 0.5105 0.4113 1.7903 0.6484 2.3801 6.5207 5.6725 11.7929 15.4096 13.4834 14.8335 0.1906 0.1124 0.3827 0.2171 0.4958 0.4960 0.3038 0.5526 0.4089 0.5387 1.0265 1.8591 5.1964 10.1228 2.2358 13.4480 16.7718 13.6964 0.6763 0.1552 0.5550 0.6417 0.5635 0.3098 0.2571 0.4582 5.2034 4.9401 10.6048 9.2388 10.5202 9.2064 17.9900 11.2178 13.1888 0.3381 0.1552 0.0890 1.0000 1.1060 0.8220 0.9239 0.9455 0.6714 7.2416 7.8207 3.9536 11.1210 14.7232 12.6280 13.8585 15.5203 17.3168 0.1188 0.1356 0.3859 docosapentaenoate (n3 DPA; 22:5n3) 0.7428 0.0063 0.5491 0.4741 0.3086 0.2665 0.6159 0.2576 1.9879 2.1799 1.6826 4.0614 4.2741 4.4199 5.4784 0.1570 0.0803 0.2281 0.1553 0.3260 0.3244 0.1787 0.3437 0.2384 0.2465 0.4257 1.0000 1.2573 2.6190 0.5344 4.4128 6.3567 2.8296 0.3472 0.1104 0.3604 1.8521 1.0235 0.6335 0.3722 0.5889 2.3951 1.9568 5.2547 3.6835 4.6321 2.9534 7.9703 4.2631 4.7548 0.2234 0.1778 0.0789 1.6152 1.8810 1.5188 0.5976 0.6601 0.7600 3.1287 3.2011 1.4899 3.1947 7.3328 4.9397 6.5197 6.2863 7.9889 0.0768 0.1630 0.1656 docosapentaenoate (n6 DPA; 22:5n6) 0.8283 0.0104 1.0000 0.5767 0.5672 0.5801 0.9279 0.3548 2.5884 3.1168 2.3675 5.6599 6.1381 5.6253 6.7460 0.1770 0.1005 0.2960 0.2583 0.4896 0.5320 0.3057 0.5428 0.3108 0.3550 0.6940 1.3927 2.4458 3.3370 0.8685 5.6083 8.3316 4.6438 0.4961 0.1231 0.5031 1.3121 0.7610 0.8038 0.2389 0.7546 3.3707 2.8911 5.3534 4.8065 5.0410 4.5144 9.3789 5.5951 6.1702 0.3343 0.1838 0.0899 1.2709 1.5854 1.5220 0.6560 0.6451 0.6893 4.2278 3.7359 2.4006 5.4678 7.3167 6.5929 7.8046 7.6120 9.0202 0.0819 0.1650 0.2749 docosatrienoate (22:3n3) 0.1347 0.1347 0.1347 0.1347 0.1861 0.1347 0.4064 0.2078 0.7281 0.7022 0.6703 1.0463 0.8009 1.2930 1.1638 0.1347 0.1347 0.1347 0.1347 0.1347 0.2610 0.1347 0.1347 0.1347 0.1347 0.2201 0.7491 0.1347 0.7813 0.2229 1.2119 1.3987 0.5817 0.3852 0.1347 0.6281 0.1347 0.1347 0.1347 0.1347 0.1347 1.4781 1.0000 1.8234 1.5444 1.8284 0.7727 1.9256 1.3243 1.5262 0.1347 0.1347 0.1347 0.1347 0.1347 0.1347 0.1347 0.1347 0.1347 1.6830 1.6138 0.9271 0.6147 1.5025 1.3383 2.6226 1.6020 1.9571 0.1347 0.1347 0.1347 docosatrienoate (22:3n6)* 1.2780 0.0539 0.0539 0.0539 0.0539 0.0539 0.3016 0.0539 0.1535 0.6429 0.6427 1.3351 1.0000 0.4584 0.9269 0.0539 0.0539 0.0539 0.0539 0.0539 0.0539 0.0539 0.0539 0.0539 0.0539 0.0539 0.3309 0.0933 0.5522 0.0539 0.6670 0.9143 0.4210 0.0539 0.0539 0.0539 13.8364 3.1843 3.9091 1.0530 1.8166 0.7876 0.4620 2.7085 0.7507 1.3228 0.9046 1.3619 0.5813 0.7213 0.0539 0.0539 0.0539 5.1188 7.2652 13.5245 0.1305 0.0539 3.0102 1.4382 2.0639 0.6159 1.0171 3.0629 1.2431 1.0461 1.4085 1.1184 0.0539 0.3461 0.0539 dodecanedioate (C12-DC) 3.2755 0.2908 0.5032 1.2584 0.3275 0.5562 0.4986 0.4786 0.5107 0.4556 0.6498 0.9985 1.1895 1.3367 1.6540 1.5348 0.8608 1.3174 0.4512 0.4488 0.2651 0.3510 0.7678 0.4313 0.4695 0.4084 0.4119 0.5709 0.7401 0.4299 1.2087 1.5342 1.0000 1.5417 1.2354 0.7023 2.5690 1.9459 2.1164 1.0498 1.1149 0.6449 0.5336 0.8194 0.7274 0.8650 1.0827 1.5306 1.1576 1.4757 1.2885 1.6732 1.5222 2.6377 3.3093 3.9040 1.0583 1.1227 1.2901 0.6465 0.6335 0.6786 1.2421 0.9406 0.9904 1.1478 1.1882 1.5142 1.5689 1.6925 0.7015 dodecenedioate (C12:1-DC)* 5.5068 0.7734 2.2298 1.9151 0.8171 0.7717 1.1073 0.9586 1.2184 1.2085 0.6294 0.4661 0.5818 1.0000 0.6497 0.9797 0.5855 2.1958 1.2636 1.8255 1.3339 0.8438 0.7578 0.7476 1.5298 0.9158 1.5030 0.8461 0.7193 0.7024 0.7266 1.1523 0.4150 1.6583 2.0329 0.5481 4.4933 3.3183 3.5795 1.8667 1.7014 0.9863 0.7126 0.6686 0.7501 0.6723 0.5905 0.9456 0.7046 0.9857 2.3031 2.8621 2.2812 4.5953 5.3331 6.1693 2.3446 2.1007 2.6527 1.1392 1.1682 1.4102 0.7449 0.6573 0.7930 0.7394 0.8150 1.0038 2.1782 2.1732 0.9021 eicosanedioate (C20-DC) 1.6881 0.1341 0.3125 0.8274 0.2809 0.3661 0.6717 0.5694 0.3679 0.8885 0.8919 1.7791 2.0596 1.9579 2.8426 0.5663 0.7840 0.9093 0.2631 0.1673 0.3146 0.6076 0.4953 0.5149 0.3162 0.9917 0.5834 0.6507 4.2341 0.5474 1.7166 2.5241 1.2030 1.0356 1.1050 0.8237 2.3662 1.6459 1.2523 1.2206 0.5595 0.7284 0.8496 1.4818 1.9393 2.8019 1.2371 3.7727 2.0555 3.5617 0.7158 1.1928 1.1706 1.5169 1.5181 2.3134 0.6417 0.7487 1.1045 0.7902 1.1790 1.0000 1.0603 2.8753 1.7082 2.8210 3.2238 3.0216 0.6935 0.7914 0.4462 eicosapentaenoate (EPA; 20:5n3) 0.3070 0.0098 0.3668 0.3527 0.3523 0.2797 1.4311 0.4933 1.2285 3.5253 2.8982 7.1254 6.5485 7.5338 9.9665 0.1562 0.1057 0.4188 0.1106 0.2911 0.2543 0.2807 0.3737 0.3694 0.4780 0.7360 1.1400 2.6065 4.8041 1.0580 7.6312 9.4644 4.9724 1.1853 0.2423 0.5048 0.2953 0.4217 0.2381 0.3278 0.4170 2.6279 2.8287 5.7487 4.7305 5.9939 5.0456 10.3311 7.1532 8.2479 0.5003 0.1584 0.1371 0.5919 0.6257 0.4684 1.0347 1.0000 0.5949 4.2232 4.9594 2.3848 6.3691 9.1997 6.5844 8.9115 9.5206 10.7810 0.1924 0.1306 0.2009 eicosenoate (20:1) 0.2719 0.0411 0.6484 0.2849 0.3662 0.6011 0.8179 0.5989 1.9833 1.6623 1.3315 2.1053 2.2701 4.4311 5.5445 0.4535 0.3572 1.3235 0.4248 1.0164 0.7175 0.2570 0.4820 0.3077 0.2562 0.4130 1.6086 0.5861 1.1416 1.1883 2.3550 3.0904 2.1383 0.7528 0.5190 0.8432 0.8434 0.6787 0.4996 0.2720 0.5474 2.0894 1.0347 1.7411 2.3126 1.7286 1.0351 5.5353 2.0923 3.0705 0.2419 0.4976 0.1459 1.1351 1.0781 0.9341 1.0000 1.0100 0.5958 2.2159 1.6103 1.3052 0.8938 2.7594 1.8347 4.6372 4.0950 5.7091 0.2280 0.7198 0.2639 enterodiol 0.8846 0.1033 0.1033 0.6951 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1840 0.1033 0.5962 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 1.2332 1.0090 1.3543 1.3954 1.5246 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.3875 0.9383 1.0000 0.7591 1.3986 1.2186 0.9954 2.0780 1.6133 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1650 1.1058 0.1033 enterolactone 1.9288 0.0301 0.1028 0.6636 0.0301 0.1988 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.6153 0.2345 0.7502 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0301 0.0785 0.2820 5.1310 8.2012 10.3546 3.0696 5.4727 0.0301 0.3028 1.0000 0.2313 0.0973 0.0301 0.1572 0.0339 0.0990 1.4473 6.9227 1.9105 15.7420 13.1510 10.8425 14.7492 8.6058 7.5709 2.3559 1.5071 1.4276 0.3666 0.2975 0.2220 0.5089 0.2856 0.1316 2.2309 9.4442 1.2983 enterolactone sulfate 0.1674 0.7165 2.1867 0.0695 1.6374 0.8043 0.3549 0.5619 0.3511 1.0468 0.2654 0.2708 0.1257 0.2029 0.2151 0.0695 1.8179 0.0695 1.2412 1.1681 5.3291 1.0883 0.9975 4.2854 0.0695 0.1487 0.7601 0.0695 0.0695 2.1139 0.0863 0.0695 0.9182 0.6584 0.0695 3.7847 0.4896 1.2152 1.3548 0.1876 0.5003 1.0025 2.2464 11.2962 1.1130 2.3178 0.6820 1.3434 1.0637 0.5069 0.0695 0.1172 0.1264 1.4071 0.5485 0.6749 2.3442 0.8519 0.3288 14.6523 20.1439 14.5519 3.5636 1.9859 1.9856 2.9666 1.7312 1.7083 0.5330 0.6859 0.0695 equol 51.8365 0.0399 0.1552 26.0236 0.0399 0.2572 0.2262 0.0399 0.0875 0.0505 0.0445 0.9091 0.0399 0.1535 1.2007 1.6298 0.6034 21.9987 0.0399 0.0615 0.0554 0.0399 0.0917 0.0399 0.0399 0.0399 0.0399 0.0399 0.0399 0.0623 0.0399 0.0404 0.0433 0.1136 0.5616 0.7655 27.7817 24.7545 40.8521 35.4652 23.8245 0.1660 0.9239 2.7927 1.2631 0.5445 0.3349 0.6615 0.3397 0.9700 6.2442 17.7147 20.7652 60.0131 44.9580 33.1439 65.9006 61.8854 34.0899 4.6914 4.0210 3.1763 1.0000 1.2969 0.6272 2.5385 0.9412 0.4058 4.6931 20.3046 1.8101 equol glucuronide 0.0141 0.0141 0.0141 0.0141 0.0707 0.0141 17.2670 0.8199 2.7313 0.9429 1.1605 12.8589 0.1854 0.2968 4.0365 0.0141 0.0764 0.0141 0.0832 0.0590 0.0900 0.0513 0.0141 0.0479 0.2567 1.0949 0.8094 0.1533 0.5224 0.6936 0.0431 0.0700 0.2094 0.0141 0.1614 0.0290 0.0141 0.0141 0.0141 0.0141 0.0141 13.1576 5.5716 9.2367 4.8757 4.4082 8.8385 1.8805 3.7111 3.0875 0.0141 0.1623 0.0141 0.0141 0.0141 0.0141 0.0141 0.0141 0.0141 18.8156 13.6130 11.3052 14.9048 10.0033 8.7898 13.3039 3.7319 2.5019 1.0571 0.0225 0.0923 equol sulfate 0.6200 0.4192 0.3770 0.1648 1.6569 0.1572 18.7921 1.2333 1.7848 2.0662 1.0000 13.6862 0.3885 0.4176 7.0851 0.0558 1.8889 0.5455 0.8381 0.6739 1.9216 0.9442 0.3973 2.0433 0.1798 0.5424 1.0561 0.2099 0.4909 1.5848 0.1875 0.1661 0.9261 0.6170 0.5434 2.0861 0.1836 0.3754 0.6026 0.3796 0.3958 14.7113 7.3059 15.5446 5.1884 5.9042 10.5180 3.8568 7.1814 5.4641 0.1395 0.4133 0.6703 1.0531 0.3825 0.2366 2.2680 1.1039 0.3123 23.1256 17.2872 17.3364 15.8245 9.5491 10.6991 16.6385 7.3779 5.3699 2.1821 0.6682 0.2495 erucate (22:1n9) 0.5510 0.0787 1.0210 0.5137 0.7484 0.6490 0.7421 0.5587 1.8773 2.8394 1.5296 3.7225 3.2697 5.9900 7.3120 0.2328 0.2037 0.6279 0.6200 0.8904 0.8452 0.3812 0.6210 0.4283 0.3569 0.4971 1.6778 0.9127 2.1728 1.8431 3.4574 3.7471 2.6690 0.5660 0.1313 1.0000 1.0902 0.6003 0.4972 0.3452 0.6669 1.7932 1.3940 2.0361 3.5898 2.5782 1.8941 7.3531 2.9657 4.4900 0.2498 0.3151 0.1335 1.5843 1.3909 0.8350 0.7618 0.5363 0.8556 2.1547 2.1708 2.2573 1.0865 5.6251 2.7750 5.9922 5.6478 7.1065 0.1073 0.3158 0.2497 erythrose 0.5393 2.5644 5.6786 0.5913 2.5139 1.5821 0.0958 0.3122 0.0958 1.6505 0.4842 0.5371 1.0493 1.6635 0.9684 0.0958 1.9173 0.0958 10.4796 2.8091 2.9290 2.7706 4.9814 7.4090 0.0958 0.0958 0.0958 0.3236 0.5804 0.5244 1.8246 1.7945 0.8944 0.0958 0.0958 6.3429 0.5594 1.0121 1.0000 0.7954 0.8360 0.0958 0.0958 0.3200 0.0958 0.3731 0.0958 1.6476 0.0958 1.1596 0.0958 0.0958 0.0958 0.0958 0.0958 1.3896 0.2224 0.0958 0.6436 0.0958 0.1976 0.0958 0.9870 0.2364 0.7113 1.2140 0.7365 1.4395 0.0958 0.0958 0.0958 ethyl alpha-glucopyranoside 0.0808 0.3348 0.0808 0.0808 0.0808 0.0808 0.0808 0.0808 0.0808 0.4232 0.5841 1.8027 0.6379 1.7230 1.1408 0.3322 0.0808 0.0808 0.3114 0.0808 0.1186 0.0808 0.0808 0.0808 0.0808 0.3851 0.4804 0.4359 4.4946 0.4539 0.1208 4.5872 3.0010 0.2778 0.2520 0.0808 1.5132 1.0164 0.7449 0.0808 0.0808 0.7740 1.5792 0.9836 2.3077 3.4084 2.2153 1.6237 3.8452 3.1578 0.4330 0.2361 0.0808 1.6312 1.3843 1.8074 0.6459 0.3492 0.6917 1.8005 1.1849 1.2561 2.6829 2.0011 1.9644 5.3931 0.7279 2.4578 0.4409 0.0808 0.0938 ethyl beta-glucopyranoside 0.0782 1.1489 3.2271 0.0782 2.5029 2.1061 0.8609 1.4770 2.2722 1.5478 0.8825 0.5695 0.5612 0.4788 0.0782 0.5568 0.6967 0.0782 5.0547 4.0167 3.7140 2.5911 2.7935 2.1350 2.2107 1.8643 1.0461 1.0432 0.9844 1.3423 0.7346 0.3723 0.5821 1.2943 0.6035 1.0156 0.3174 0.2444 0.0782 0.0782 0.0782 1.8342 0.8512 0.6286 1.1929 1.9099 0.6475 0.0782 1.1215 0.0782 1.5740 0.0782 0.0782 0.4560 0.2879 0.2352 0.3717 0.0782 0.2259 1.0326 0.6770 0.5064 1.1273 0.5530 1.5146 0.0782 0.0782 0.0782 0.4919 0.0782 0.0863 ferulate 5.5355 3.0806 4.1353 4.8999 3.3599 3.8250 0.8650 0.4477 0.5850 0.8433 0.8243 0.8331 0.4501 0.5589 0.3833 1.1824 2.0830 0.5888 7.4675 11.0153 5.1530 2.4496 4.1490 2.6380 0.7435 0.9546 0.4481 0.8100 1.3361 0.7340 0.8330 0.4029 0.5656 2.3845 0.4812 2.8191 4.3339 5.7599 5.8589 5.9358 6.5279 1.4391 1.1688 0.8858 1.2458 1.3362 1.4385 0.2215 0.9478 0.6757 2.2016 0.1726 0.8205 4.7078 4.9989 6.2147 13.0556 9.0089 7.9067 0.9106 0.6958 1.0000 0.8728 0.5435 0.9097 1.0530 0.2333 0.2949 0.1327 0.7187 0.0590 ferulic acid 4-sulfate 0.0018 0.8660 0.5726 0.0018 2.6207 0.1240 2.3181 2.9241 2.8901 2.6376 2.7965 1.2154 0.8794 1.0755 0.5184 0.0140 0.7673 0.0049 2.8540 1.7848 4.6565 1.7092 0.7460 2.9065 2.7777 3.6862 3.0623 2.2668 2.6327 3.1032 1.4929 0.6060 1.4366 0.0587 0.2317 1.3296 0.0018 0.0022 0.0049 0.0021 0.0051 2.1950 1.7317 1.3398 1.1196 1.0000 1.3144 0.3109 1.1578 0.6061 0.0040 0.0177 0.0110 0.0070 0.0018 0.0018 0.0242 0.0082 0.0045 2.2088 1.6014 1.7647 1.0097 0.7127 1.1013 0.9565 0.3116 0.5198 0.0969 0.0071 0.0101 feruloylquinate (1) 0.2031 1.0765 1.0000 0.2031 3.0246 0.6775 0.9794 1.1231 4.0150 1.5487 0.6682 0.2031 0.2031 0.2031 0.2031 0.3506 0.7076 0.2031 2.5455 3.2940 3.7833 1.4009 2.1100 2.5221 3.2840 3.9083 0.9600 0.9034 1.0839 1.0157 0.3648 0.2150 0.2966 0.9840 0.8911 1.0602 0.2031 0.2031 0.2031 0.2031 0.2031 2.9189 1.2728 0.4261 0.6542 1.7810 0.5942 0.2031 0.8329 0.2031 1.4849 0.2031 0.2031 0.2031 0.2031 0.2031 0.2031 0.2031 0.2031 0.8237 0.3277 0.4483 0.2031 0.2031 1.0380 0.2031 0.2031 0.2031 0.5427 0.2031 0.2031 feruloylquinate (2) 0.1235 0.9710 2.3458 0.1235 2.8269 1.6269 1.0038 1.1877 3.7111 1.3954 0.6966 0.1235 0.2780 0.1235 0.1235 0.2517 0.5169 0.1235 5.1219 3.7793 3.9615 3.3362 2.8185 2.7060 3.1367 3.8686 1.0000 0.9449 1.3469 1.1961 0.5709 0.2858 0.4872 1.3387 0.7114 1.2409 0.1235 0.1235 0.1235 0.1235 0.1235 2.1480 0.8414 0.2156 0.2532 1.6998 0.3726 0.1235 1.0288 0.1235 0.8206 0.1235 0.1235 0.1235 0.1235 0.1235 0.1235 0.1235 0.1235 0.6040 0.1534 0.3578 0.1605 0.1235 0.9994 0.1235 0.1235 0.1235 0.3831 0.1235 0.1235 feruloylquinate (4) 0.1294 0.8561 1.7384 0.1294 1.8359 0.5147 1.0000 0.4404 2.6395 1.1117 0.4104 0.1294 0.2752 0.1294 0.1294 0.2808 0.5764 0.1294 3.5548 2.5496 3.6409 1.9359 1.6532 2.1942 2.2664 3.3223 0.8483 0.5312 1.4630 0.6135 0.6860 0.3541 0.2894 1.3692 1.1306 0.6627 0.1294 0.1294 0.1294 0.1294 0.1294 3.0878 1.4035 0.2977 0.8031 2.3970 0.6550 0.1294 1.1567 0.1294 1.4955 0.1294 0.1294 0.1294 0.1294 0.1294 0.1294 0.1294 0.1294 1.0876 0.3222 0.1294 0.2731 0.1294 1.5018 0.2507 0.1294 0.1294 0.7747 0.1294 0.1294 feruloylquinate (5) 0.1667 0.4460 1.1975 0.1667 1.2255 0.9596 0.8306 0.6503 1.4557 1.5790 0.7122 0.1667 0.4497 0.1667 0.1667 0.3577 0.5165 0.1667 1.7480 1.8033 1.7150 1.2431 1.3846 1.3271 1.5763 1.8922 0.6004 1.0658 1.7194 1.1034 1.0100 0.4850 0.6604 1.2740 1.0000 0.8703 0.1667 0.1667 0.1667 0.1667 0.1667 2.0699 0.9018 0.3078 0.4888 2.2903 0.4507 0.1667 1.5324 0.1667 1.0252 0.1667 0.1667 0.1667 0.1667 0.1667 0.1667 0.1667 0.1667 0.6694 0.1667 0.2702 0.3548 0.1667 1.5549 0.1667 0.1667 0.2132 0.6718 0.1667 0.1667 ferulylglycine (1) 0.0508 0.5560 0.6466 0.0508 1.7320 0.4630 1.9648 2.1727 2.8557 1.5053 5.1986 1.0000 0.2647 2.2213 0.3148 0.0508 0.4728 0.0892 4.0489 1.8004 4.2992 2.6449 1.1781 2.9403 4.3963 6.5273 3.4165 2.6480 3.8666 3.1293 0.9933 0.5126 0.8157 0.6858 0.2865 1.6949 0.0508 0.0508 0.0508 0.0508 0.0508 1.6185 1.1984 1.2408 0.7703 0.6227 0.8892 0.2114 0.5839 0.3231 0.0508 0.0508 0.0508 0.0508 0.0508 0.0508 0.0508 0.0508 0.0508 1.8270 1.4403 1.6117 0.7188 0.5902 0.6022 0.6896 0.2075 0.2200 0.1376 0.0508 0.0508 ferulylglycine (2) 0.0604 0.2690 0.3166 0.0604 0.5669 0.0604 1.2662 1.4746 1.4464 1.6147 4.1370 1.1665 0.5482 3.7463 0.5019 0.0604 0.4086 0.1137 0.9304 0.6203 1.4066 0.9703 0.4022 1.0754 2.4855 3.6884 2.6406 2.7239 4.4235 2.2894 1.6090 0.7797 1.0182 0.7798 0.3331 1.0991 0.0604 0.0604 0.0604 0.0604 0.0604 1.1716 0.9608 1.1507 0.7510 0.6463 0.8873 0.4019 0.8178 0.4756 0.0604 0.0604 0.0604 0.0604 0.0604 0.0604 0.0604 0.0604 0.0604 1.5544 1.6825 1.3828 1.0751 0.9464 1.0000 1.1354 0.4770 0.4134 0.0604 0.0604 0.0604 flavin adenine dinucleotide (FAD) 0.0972 0.0972 0.0972 0.0972 0.0972 0.0972 0.0972 0.0972 0.0972 0.1459 0.2400 1.9295 3.8913 3.1059 3.6188 0.0972 0.1803 0.3743 0.0972 0.0972 0.0972 0.0972 0.0972 0.0972 0.0972 0.0972 0.0972 0.3681 0.9750 0.0972 2.2192 4.9398 2.4311 0.0972 0.0972 0.0972 0.0972 0.5541 2.1718 0.5366 0.6790 0.0972 0.3499 0.6128 1.0000 1.7783 0.6168 6.0406 2.3153 3.1233 0.4381 1.7675 0.6096 3.7634 3.4410 0.1582 0.5032 0.5127 0.8412 0.3003 0.4703 0.1378 2.9068 2.4562 1.2493 1.4334 4.7765 3.4140 1.0000 3.4483 1.0063 flavin mononucleotide (FMN) 0.5418 0.1034 0.1034 1.0000 0.1034 0.2315 0.1723 0.1034 0.1034 0.1034 0.2381 0.7283 1.2376 1.3135 2.0535 0.3777 0.1893 1.3497 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.1034 0.3259 0.5684 0.1034 0.7800 1.7423 1.1020 0.1034 0.1034 0.1605 2.5065 5.1985 5.5246 1.3140 1.7945 0.1034 0.1160 0.1821 0.4455 0.4701 0.4350 1.8769 0.5579 1.3126 1.0722 4.4390 1.7324 10.2012 9.4201 4.2102 2.0538 1.0428 3.3737 0.2418 0.2039 0.1702 0.8793 0.8786 0.7054 0.5853 1.3037 1.4288 1.4761 5.2218 0.9151 flavone derivative C26H28O14 (2)* 2.5065 0.7373 2.6207 2.2186 2.0637 2.4714 0.5604 1.4766 1.8302 1.8840 0.7837 0.3204 0.1859 0.1637 0.0691 1.9682 1.7211 1.0212 3.0330 2.5929 2.5149 2.6798 2.2288 2.4674 1.8987 2.0271 0.9953 0.9614 0.5649 1.1206 0.5150 0.1070 0.3572 1.5770 1.5425 1.7834 0.0691 0.0691 0.0691 0.0691 0.0691 1.3823 0.8179 0.2394 0.3858 1.0528 0.3787 0.0691 0.5427 0.0691 1.1168 0.3308 0.1595 0.0691 0.0691 0.0691 0.0691 0.0691 0.0691 0.4559 0.2454 0.6959 0.1387 0.0691 1.0047 0.2359 0.0691 0.0691 0.7381 0.0691 0.1747 flavone derivative C26H28O14 (3)* 1.0000 0.8460 2.5538 1.4206 2.7022 2.1765 0.9587 2.5067 2.2633 2.4210 1.3513 0.3038 0.3183 0.2529 0.1421 1.0014 1.7554 0.5467 3.9618 3.1640 2.9441 3.1650 2.3045 2.2011 3.1408 3.0453 1.9115 2.0705 0.9279 1.8676 0.8414 0.1514 0.6284 1.2546 1.2748 1.7469 0.0208 0.0208 0.0208 0.0208 0.0208 2.5048 1.2800 0.4507 0.6043 1.3323 0.7129 0.0208 0.7928 0.0208 1.0904 0.3239 0.1117 0.0208 0.0208 0.0208 0.0208 0.0208 0.0208 0.7244 0.4497 0.8884 0.2494 0.0730 0.9664 0.2954 0.0208 0.0760 0.5738 0.0208 0.1298 flavone derivative C26H28O14 (4)* 0.3691 0.5496 2.2730 0.9687 3.1547 2.0287 0.4748 2.6700 3.3056 2.1634 1.4034 0.0802 0.4290 0.2055 0.0521 0.9281 1.0174 0.2669 4.7481 4.0848 3.6214 3.3647 1.9086 1.8334 3.7929 3.7102 2.0088 2.1588 1.1328 1.1595 0.5754 0.1518 0.6999 1.2583 1.3315 1.0918 0.0521 0.0521 0.0521 0.0521 0.0521 2.9676 1.6928 0.2315 0.7986 1.9429 0.9049 0.0731 0.9826 0.0804 1.3820 0.3020 0.0950 0.0521 0.0521 0.0521 0.0521 0.0521 0.0521 0.8703 0.5419 1.0610 0.3493 0.1266 1.2499 0.4241 0.0521 0.1751 0.7761 0.0521 0.0703 flavone derivative C26H28O14 (5)* 1.6384 0.5848 1.3756 2.1208 2.0663 1.3565 0.8309 1.8363 1.7903 1.6067 1.0502 0.5626 0.2763 0.2445 0.2764 1.0668 1.8142 1.4062 2.1416 2.1653 1.9389 2.2596 1.4090 1.3720 2.1732 2.0258 1.3823 1.1781 0.7310 1.1172 0.5024 0.1181 0.4577 1.1748 1.3543 1.3536 0.0347 0.0347 0.0347 0.0347 0.0347 1.7001 1.0000 0.2803 0.4983 1.1123 0.6077 0.0347 0.5987 0.0970 1.0063 0.2677 0.1634 0.0347 0.0347 0.0347 0.0523 0.0347 0.0347 0.5568 0.3541 0.6885 0.2547 0.1297 0.6676 0.3061 0.0347 0.1271 0.6702 0.0347 0.1103 flavone derivative C26H28O14 (6)* 1.5320 1.0086 3.6412 2.0925 3.6838 3.3716 1.0537 2.6970 2.8197 2.5809 1.6180 0.4166 0.4348 0.4090 0.2247 1.8407 2.5435 0.7692 4.5896 4.2208 3.7201 3.9388 3.8606 3.2210 3.3432 3.3282 2.1262 2.1194 1.0953 2.3083 1.0314 0.2340 0.7876 2.2336 1.3164 2.5369 0.0094 0.0409 0.0174 0.0152 0.0160 2.7040 1.5041 0.4529 0.7581 1.8900 0.8229 0.0823 0.9914 0.1206 1.0824 0.3891 0.1467 0.0193 0.0094 0.0234 0.0311 0.0094 0.0146 0.8138 0.5306 0.9646 0.3037 0.1387 1.1770 0.3885 0.0094 0.1593 0.6721 0.0456 0.1395 flavone derivative C26H28O14 (7)* 3.3117 0.6480 2.1466 2.1399 3.9154 3.6234 1.1185 1.2450 0.5373 1.2084 1.8280 0.6591 0.2806 0.2243 0.3362 1.6902 4.5751 1.6028 4.3398 4.4063 2.1427 2.4689 3.9762 4.1184 3.4057 1.0993 1.3115 0.9800 0.5546 2.6823 0.4739 0.1435 0.9808 3.2511 3.0714 2.2841 0.1435 0.1435 0.1435 0.1435 0.1435 2.8397 0.4786 0.3049 0.4996 0.3538 0.5156 0.1435 0.9677 0.1435 2.4059 0.2816 0.3312 0.1435 0.1435 0.1435 0.1560 0.1435 0.1435 0.3537 0.3509 0.6176 0.3355 0.1435 0.5648 0.1974 0.1435 0.1435 1.0000 0.1435 0.2132 formononetin 0.7263 0.8172 1.6767 0.4585 1.0490 2.0327 0.4845 0.2282 0.3263 0.7722 0.9531 0.5082 0.6376 1.1001 0.5302 5.9557 3.8384 2.6064 0.9848 3.5022 1.2637 1.5278 5.4604 1.2662 0.4408 0.4595 0.3847 0.4133 1.4127 0.7506 1.3346 2.1999 0.6074 8.8188 6.7984 5.1334 0.1087 0.3406 0.3061 0.3690 0.7052 0.5480 0.8010 1.0000 1.5205 2.4641 1.7998 0.2929 4.8271 1.1772 8.0794 2.5698 4.7306 0.5870 0.2837 0.9190 2.5683 1.4338 0.6953 1.0969 1.3588 2.4371 0.2989 0.8498 0.9869 3.8956 0.4584 0.6447 7.9195 3.6626 4.4722 gamma-CEHC glucuronide* 0.1832 0.1832 0.1832 0.1832 0.4880 0.1832 2.0844 0.9810 2.1879 0.4485 1.6666 1.4037 0.1832 0.9645 0.1832 0.1832 0.1832 0.1832 1.2732 1.2110 1.1590 1.0000 0.5493 0.5281 1.1731 2.9431 1.5440 1.1200 1.2475 1.0487 0.5741 0.1832 0.1832 0.1832 0.1832 0.2306 0.1832 0.1832 0.1832 0.1832 0.1832 2.3237 1.0233 2.1909 1.2740 0.9494 1.5954 0.3910 0.8058 0.5427 0.1832 0.1832 0.1832 0.1832 0.1832 0.1832 0.1832 0.1832 0.1832 0.7934 1.4685 1.3349 0.7325 0.6624 0.7461 0.5584 0.3939 0.3013 0.1832 0.1832 0.1832 gamma-glutamyltyrosine 0.0880 0.2570 0.4508 0.1816 0.4694 0.2388 1.5048 1.0427 0.2778 2.5464 1.8177 3.8651 7.2746 6.4422 6.6875 0.0729 0.2778 0.1205 0.9593 0.7783 0.5994 0.4737 0.5763 0.2899 0.4944 1.0000 1.2457 2.7834 3.6665 1.1197 5.7859 5.5134 4.9748 0.5330 1.4218 0.2821 0.2224 0.1971 0.2088 0.1373 0.1531 1.5725 1.3760 3.5422 2.4782 2.5589 2.7739 6.9143 5.0146 6.6185 3.8685 0.0940 0.1269 0.3175 0.3101 0.2688 0.1369 0.2642 0.1775 2.3264 3.5924 1.6761 4.2956 3.5471 4.5929 3.8653 8.0830 6.1789 0.5340 0.0511 0.0377 genistein 1.5483 0.7470 2.0809 0.7313 1.1704 3.2289 0.4834 0.2522 0.2748 0.7909 0.5589 0.4602 0.6254 0.8346 0.3424 4.5719 3.9610 2.1750 0.9431 2.1833 1.3527 1.5847 4.0273 1.6123 0.2024 0.4133 0.3299 0.4501 1.4479 0.5424 1.3159 1.4973 0.4909 4.9331 2.0619 5.2264 0.1737 0.2604 0.2685 0.3693 0.2255 0.7387 1.1535 0.6859 1.6982 1.8802 1.3455 0.3578 2.9873 1.2406 7.0812 2.4407 4.4715 0.4056 0.1596 0.2166 0.9520 0.5510 0.2613 1.0046 1.0804 1.0319 0.2433 0.6180 1.0225 2.3527 0.2234 1.0000 6.5347 1.9427 1.3134 genistein glucuronide* 0.0017 0.0216 0.0176 0.0017 1.0049 0.0106 3.6624 3.9331 8.8105 3.2732 6.2902 1.1852 0.8154 2.1067 0.3240 0.0122 0.0661 0.0031 1.3576 0.3485 0.8851 1.4376 0.1482 0.5244 7.3418 10.3271 5.5053 4.2907 4.8881 3.1754 1.8491 0.6729 0.8460 0.1340 0.0830 0.0556 0.0017 0.0017 0.0017 0.0017 0.0017 4.1529 2.3487 1.2512 1.7507 1.7989 2.9821 0.3434 1.6890 0.7976 0.0017 0.0129 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 0.0017 2.6402 2.0294 2.0330 0.9278 0.9536 1.4087 0.9951 0.2307 0.3779 0.0719 0.0017 0.0094 genistein sulfate* 0.0003 1.6170 0.3847 0.0004 6.5806 0.0071 3.2283 2.9920 5.4413 3.2518 2.8670 0.8245 0.5973 0.6770 0.2245 0.0216 1.8399 0.0060 4.8251 2.8093 6.0857 5.8683 0.6275 6.3256 4.3451 5.1592 3.4760 3.0976 2.2221 3.2026 1.4544 0.5010 1.3184 2.2270 0.0432 3.0371 0.0003 0.0002 0.0022 0.0094 0.0057 3.6495 3.2860 1.3823 1.9166 2.2425 2.1227 0.3191 1.4036 0.5312 0.0075 0.0350 0.0226 0.0078 0.0048 0.0002 0.0374 0.0153 0.0069 2.6867 2.5343 2.6835 0.6756 1.1213 1.3813 0.8787 0.1639 0.3000 0.0864 0.0256 0.0234 gentisate 24.4526 0.2540 4.1781 23.0643 0.1322 2.9391 0.2257 0.1322 0.1322 0.4699 0.2179 0.9613 0.1322 0.1322 0.8202 1.8385 1.0000 3.4278 0.3506 1.2509 0.1322 0.1322 0.8929 0.1322 0.1322 0.1444 0.1322 0.1322 0.1609 0.1851 0.2217 0.2285 0.2876 0.5355 0.6282 0.6515 5.1296 12.7085 12.0645 11.2073 10.9933 0.5222 1.1135 0.7643 1.5233 0.5935 0.7486 0.3250 0.4919 0.6355 2.6689 3.9248 3.3419 33.7806 23.0986 16.7229 30.2562 24.0616 17.4967 1.4706 0.8520 1.3749 0.7149 2.0231 1.1423 1.2337 0.8817 0.2610 4.2482 8.0463 0.7368 glucuronide of C12H22O4 (2)* 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.4285 1.0269 1.5408 1.7159 2.9172 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.2930 0.9731 0.1910 2.1345 2.1532 1.7980 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.2274 0.5347 0.7864 0.9394 0.8932 0.4407 0.9407 1.3566 1.5060 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.2784 0.2024 0.1910 0.3779 1.1940 1.4319 1.2031 1.4480 1.9591 0.1910 0.1910 0.1910 glycerol 0.5721 0.0791 0.4950 0.6763 0.4089 0.4945 1.0000 0.3107 1.1848 0.8633 1.2711 3.1897 2.4197 2.6651 4.2340 0.6888 0.4040 0.7194 0.4716 0.3915 0.4101 0.4860 0.5840 1.5020 0.4910 0.5545 1.5145 1.0068 1.5478 0.5016 2.8201 3.0263 1.8190 1.1198 0.8390 0.7525 0.5028 0.7588 0.4556 0.5543 0.8845 1.7063 1.0495 2.0263 2.2554 2.1824 1.4754 3.1825 3.1252 3.9947 0.5416 0.2536 0.3770 0.6576 1.1068 0.8130 2.0215 3.0332 1.0031 2.0133 2.0551 0.8355 1.9600 2.2162 2.2868 2.9336 3.7512 3.2308 0.2673 0.2788 0.0351 glycitein glucuronide (2)* 0.0117 0.0117 0.0117 0.0117 0.9116 0.0117 4.8591 2.1184 7.8498 5.9147 3.0112 1.0793 1.0000 0.7529 0.2369 0.0117 0.0255 0.0117 1.1619 0.4092 0.6812 0.9112 0.0950 0.3331 5.9810 10.3303 2.6337 3.5775 4.2269 1.4573 1.3798 0.4781 0.3911 0.0603 0.0755 0.0132 0.0117 0.0117 0.0117 0.0117 0.0117 2.9265 1.5057 0.4216 1.2184 1.4237 1.0408 0.2073 1.0694 0.2225 0.0117 0.0117 0.0117 0.0117 0.0117 0.0117 0.0117 0.0117 0.0117 2.5851 2.3781 1.4495 0.5472 1.4148 0.8666 0.5548 0.2995 0.1892 0.0448 0.0117 0.0117 glycitein sulfate (1) 0.0512 1.8008 2.4172 0.0512 4.9478 1.0000 1.2220 2.0269 1.4047 4.8553 0.5101 0.2396 0.5908 0.0935 0.0512 0.0512 7.8645 0.0512 4.1303 5.6221 8.1491 3.6336 4.4456 9.2746 2.0275 1.2675 1.7636 2.3036 0.4986 6.2386 0.9452 0.1277 2.2991 2.0260 0.0512 12.3048 0.0512 0.0512 0.0512 0.0512 0.0512 0.5630 0.4742 0.1776 0.2776 0.3707 0.1206 0.0605 0.1874 0.0512 0.0512 0.0512 0.0512 0.0512 0.0512 0.0512 0.0598 0.0512 0.0512 0.6825 1.0287 0.6788 0.1005 0.4165 0.1614 0.0979 0.0512 0.0512 0.0512 0.0512 0.0512 glycitein sulfate (2) 0.0008 1.4832 0.1762 0.0008 4.5027 0.0012 4.1631 2.1813 5.1664 4.4759 2.5640 1.1119 0.7518 0.7576 0.3040 0.0154 1.1432 0.0047 3.3231 2.1670 4.8455 3.5338 0.3821 4.6683 2.8412 5.3830 2.5142 2.2387 2.5144 2.4173 1.3124 0.5297 0.9718 1.3022 0.0717 2.0980 0.0008 0.0008 0.0008 0.0042 0.0008 2.5704 2.0847 0.6429 1.3996 1.5282 0.8877 0.2725 1.0407 0.2126 0.0037 0.0305 0.0119 0.0015 0.0008 0.0008 0.0087 0.0056 0.0029 2.8995 3.4738 2.3659 0.6283 1.8450 1.0000 0.6700 0.4134 0.2138 0.1020 0.0340 0.0327 glyco-beta-muricholate** 0.0663 0.0124 0.0115 0.0115 0.0646 0.0115 0.7292 6.0469 1.5929 7.9312 1.9930 1.2407 5.9231 1.7972 1.0269 0.0115 0.0774 0.0297 0.0115 0.0115 0.0413 0.0115 0.0115 0.0315 0.9338 0.8491 4.8945 1.3003 0.8837 5.3689 1.1571 0.7688 3.9906 0.0115 0.0115 0.0115 0.0606 0.0796 0.1228 0.0115 0.0899 0.9731 5.2963 2.9994 4.3737 2.2308 0.1066 2.2582 1.7181 0.2317 0.0115 0.0115 0.0115 0.0641 0.0779 0.1071 0.0805 0.1515 0.0393 3.1575 5.5861 5.0403 2.7443 5.3922 4.1891 2.4821 2.5801 3.2828 0.0827 0.0115 0.0150 glycochenodeoxycholate 0.0343 0.0343 0.0343 0.0343 0.0529 0.0343 0.9334 1.6838 0.6334 3.6140 2.8864 0.6379 1.6763 1.2626 0.5020 0.0343 0.0862 0.0343 0.0343 0.0361 0.0343 0.0343 0.0343 0.0343 0.5770 1.1601 2.0414 1.3523 1.5304 2.5877 0.8653 0.3530 1.1143 0.0343 0.0361 0.0343 0.0343 0.0343 0.0343 0.0343 0.0343 1.0000 0.9326 2.5705 1.0012 1.0729 0.7993 0.5827 0.8095 0.4108 0.0343 0.0343 0.0577 0.0343 0.0343 0.0343 0.0343 0.0676 0.0343 1.8879 2.1598 1.2041 1.6448 0.9491 3.4078 1.3393 0.8524 1.5868 0.0343 0.0343 0.0343 glycocholate 0.0295 0.0150 0.0146 0.0232 0.1196 0.0176 1.8995 6.5356 1.5087 10.6065 3.0125 1.6831 6.4994 2.2390 1.3693 0.0154 0.1139 0.0287 0.0148 0.0075 0.0555 0.0123 0.0075 0.0375 0.8097 0.6903 4.1910 1.1337 0.9065 5.1180 1.0499 0.3797 2.9737 0.0075 0.0075 0.0232 0.0075 0.0075 0.0222 0.0132 0.0148 1.0179 2.9701 2.7913 2.9278 2.3301 1.0000 1.5890 2.2603 0.7164 0.0075 0.0075 0.0075 0.0357 0.0149 0.0179 0.0512 0.0275 0.0075 2.8753 4.2653 2.5768 2.8087 2.7063 3.1385 1.9968 2.5685 2.7498 0.0162 0.0075 0.0092 glycoursodeoxycholate 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 1.1039 1.2606 0.3914 3.9601 2.2638 0.8899 1.8030 1.0506 0.6255 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 0.3709 0.5043 1.0117 1.3609 0.9982 1.9456 0.9187 0.1847 0.7371 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 1.1087 0.9069 1.6828 0.8873 0.8832 1.1514 0.5306 0.7473 0.5187 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 0.1847 1.1430 1.9009 0.8319 1.1491 0.9253 2.0190 1.0599 0.8368 1.0018 0.1847 0.1847 0.1847 guanosine 8.0828 0.0949 1.5351 2.8209 0.7477 1.6156 1.0724 0.5712 0.2483 2.1168 1.5506 1.6442 0.4769 2.7358 0.5196 1.1774 0.3994 1.3720 0.7543 0.6322 1.0000 0.7542 0.8354 0.9491 0.3734 0.6541 0.6386 3.8139 2.6092 1.0960 3.6538 0.0974 2.8374 1.6959 0.2476 0.7683 7.0365 2.6151 1.8466 0.9462 0.3610 1.0618 0.6014 1.5697 1.2822 0.9632 2.5174 0.1640 1.4920 1.8988 0.2714 0.0875 0.0980 1.4876 1.2862 8.9096 0.4564 0.4703 1.1063 1.5376 2.2451 0.9932 0.2313 1.0592 2.4026 5.3067 0.3957 0.5292 0.2414 0.1232 0.1371 guanosine-2^_3^-cyclic monophosphate 0.2389 0.0895 0.6195 0.1504 0.0895 2.0019 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 1.0023 0.1199 17.5653 0.0895 0.0895 0.0895 0.3063 0.3257 0.1363 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 1.1895 1.0707 0.4870 7.6962 4.4978 2.6191 2.4814 0.2044 0.0895 0.0895 0.0895 0.3999 0.0895 0.0895 0.0895 0.0895 0.0895 1.5515 0.2138 0.9977 2.2125 2.2578 12.0601 0.6779 0.5443 4.1827 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 0.0895 1.0347 0.0895 guanosine 2^-monophosphate (2^-GMP)* 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 116.0638 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.9564 2.1111 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 1.6401 0.5515 0.9394 2.4535 1.0000 0.5515 0.5515 0.5515 0.8619 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 0.5515 1.6160 0.7280 0.5515 guanosine 3^-monophosphate (3^-GMP) 0.1881 0.1881 0.1881 0.1881 0.1881 1.3084 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 1.2880 0.4290 3.3152 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 0.1881 3.3992 3.1252 0.7682 6.3420 1.6559 0.9757 1.0243 0.1881 0.1881 0.1881 0.1881 0.8453 1.4377 0.1881 0.1881 0.3714 0.3013 1.8244 0.3065 2.1597 1.1753 1.0914 10.6412 0.3314 0.4963 2.2529 0.1881 0.1881 0.1881 0.1881 0.4490 0.1881 0.4383 0.5146 0.2759 1.5296 0.7315 0.6456 heneicosapentaenoate (21:5n3) 0.3802 0.1121 0.4788 0.4167 0.3715 0.2499 0.7632 0.3522 3.2367 1.7626 1.6299 2.3808 2.4047 3.1874 2.7497 0.2379 0.1121 0.3610 0.1341 0.3733 0.3737 0.2418 0.3734 0.4850 0.4357 0.5912 1.4952 1.0080 1.9136 0.5317 3.3923 4.7850 1.6019 0.9920 0.2082 0.6221 0.6408 0.6948 0.3098 0.3766 0.5088 3.0401 1.7890 2.4530 3.3727 3.9368 2.0252 4.1181 4.4486 4.3811 0.4216 0.1962 0.1196 1.0178 1.1551 0.6400 1.2653 1.1076 0.7801 2.9904 1.9861 1.4628 1.7142 3.3899 2.9637 5.6085 3.1712 5.0345 0.1449 0.1693 0.1870 heptadecanedioate (C17-DC) 1.2563 0.1656 0.2005 0.5326 0.1656 0.2680 0.4112 0.1656 0.3135 0.4763 0.5817 1.3522 2.1031 1.5037 2.9766 1.1037 0.6419 0.9526 0.3413 0.1656 0.1656 0.3735 0.4579 0.3312 0.1798 0.4648 0.5378 0.3831 1.0882 0.3603 1.4844 1.3741 1.4285 1.2466 0.5600 0.7276 3.9535 2.0498 2.5823 1.4656 1.0000 0.4928 0.7593 0.7518 1.1813 1.3009 0.7692 3.7361 1.5501 2.9448 0.8887 2.6514 1.5855 2.4582 3.0422 3.7651 0.8944 0.8285 1.2367 0.3419 0.8682 1.0186 0.7914 1.6158 1.0968 1.5661 2.2341 2.8300 0.9718 2.3103 0.5365 heptadecatrienoate (17:3)* 0.4190 0.0801 0.2503 0.5905 0.2837 0.1932 0.9400 0.3837 2.3493 1.0133 1.1897 1.6268 1.6985 2.3528 1.9310 0.5688 0.3587 0.8906 0.0801 0.2328 0.2591 0.4235 0.4153 0.7206 0.6865 0.5082 1.0135 0.7539 1.4583 0.5012 2.4328 3.5578 1.2859 2.2529 0.7386 0.9867 0.4150 0.7482 0.3642 0.7486 0.7129 1.7521 1.3402 1.4547 2.0415 2.7658 1.6053 3.1799 3.6434 3.9951 1.1508 0.6473 0.5429 0.6919 0.9606 0.5854 1.6783 2.1188 1.1017 2.1344 1.3702 1.0457 1.2299 2.0402 1.9799 4.1871 2.2146 4.2182 0.8588 0.4744 0.3885 heptanoate (7:0) 1.3829 0.2747 0.6755 0.5058 0.5857 0.4367 0.9518 1.0977 1.8976 0.8380 1.2000 1.2040 0.8935 1.8163 1.2176 0.5131 0.2747 0.2747 1.1322 0.6523 0.6852 0.7062 0.6066 1.2778 2.2587 0.7147 1.3552 0.8887 1.0060 0.8917 0.9336 0.6328 0.7929 0.2747 0.2747 0.2747 1.6210 1.2660 1.0632 1.0626 0.8063 1.1194 1.0154 1.0441 1.0000 0.9748 0.9431 1.0818 0.9422 1.1916 0.2747 0.5060 0.2747 1.1443 1.1054 1.1462 1.0013 0.4854 0.7017 1.2807 0.8902 1.1042 1.2371 1.0524 1.2375 0.9493 1.0652 0.8671 0.2747 0.5810 0.4039 hexadecadienoate (16:2n6) 0.4858 0.0196 0.4151 0.5407 0.4352 0.2576 0.9421 0.4441 2.9756 1.2103 1.3585 2.1497 2.5638 2.9600 2.8000 0.6010 0.3489 0.9053 0.1468 0.2940 0.3087 0.3330 0.4390 0.9839 0.6854 0.7565 1.4413 0.7707 1.5805 0.6208 2.9161 4.7481 1.7380 2.4142 0.8417 0.9465 0.5993 0.9122 0.4884 0.7558 0.7104 2.3180 1.7036 2.0640 2.9104 2.9836 1.6010 4.2572 3.9125 4.3978 1.2020 0.6039 0.6301 0.8556 1.2914 0.7509 1.9923 2.5664 1.0000 2.6177 1.8133 1.4124 1.7380 3.1102 2.2365 4.7394 3.5415 5.2857 0.8838 0.4738 0.4315 hexadecanedioate (C16-DC) 1.0000 0.2178 0.2267 0.4958 0.2170 0.2190 0.8482 0.5237 0.3176 0.8588 0.9501 1.3608 1.5772 1.1284 1.5149 0.4153 0.3977 0.5760 0.2073 0.2096 0.2140 0.2611 0.3013 0.3656 0.4091 0.6301 0.5397 0.7525 1.9248 0.6032 1.3297 1.3899 1.2395 0.4086 0.3098 0.4900 3.4031 1.9187 2.2659 1.1066 0.9339 0.8276 1.1058 1.3489 1.3525 1.3780 1.0324 1.8583 1.1368 1.7209 0.4532 1.7272 0.9101 2.5475 2.8071 3.0907 0.6142 0.6475 1.0121 1.1705 1.5546 1.3694 1.1427 1.7802 1.2145 1.4231 1.5069 1.3552 0.4909 1.6480 0.4620 hexadecatrienoate (16:3n3) 0.4354 0.0201 0.3037 0.5846 0.4144 0.2788 0.6956 0.3560 1.3867 0.9284 1.0000 1.3259 1.6419 2.0844 1.8507 1.2149 0.5227 1.1864 0.1753 0.3048 0.2924 0.3779 0.4574 0.6690 0.5852 0.4524 0.6980 0.5525 1.2026 0.5689 2.2439 3.6587 0.8588 3.1814 1.4396 1.0725 0.4985 0.9475 0.5009 0.7514 0.6981 1.3786 1.0720 1.0409 2.0992 2.4428 1.2762 2.7610 3.9799 3.8963 1.5092 1.0868 1.2009 0.6572 0.8281 0.6576 1.5251 1.8057 0.8698 1.3534 1.0276 0.9779 0.5839 1.8251 1.6272 4.2823 2.0881 3.6861 1.7641 0.7299 0.4932 hexadecenedioate (C16:1-DC)* 0.7549 0.1755 0.1615 0.4824 0.1835 0.0817 1.7725 1.0777 0.6018 1.0000 0.8665 1.5316 1.6043 0.7266 1.8418 0.2476 0.2101 0.3687 0.1086 0.0817 0.1125 0.0817 0.0817 0.1584 0.7065 0.9635 1.0962 0.9054 0.7037 0.7452 0.8779 1.0279 1.3530 0.2670 0.1018 0.0817 3.3539 2.3041 2.8941 1.2044 0.9476 1.8221 1.6661 1.8440 1.1277 1.1936 1.1891 2.3117 0.8209 1.7767 0.3557 1.7617 0.7271 4.4155 2.9166 3.3674 1.3395 0.7923 0.9942 2.4692 2.1135 2.0483 1.4106 1.6681 0.7411 0.9095 1.7215 1.3600 0.4058 1.3723 0.2781 hexanoylglycine 0.1007 0.1007 0.1007 0.1007 0.1007 0.1007 0.1007 0.1007 0.1007 0.4329 0.1007 0.5741 2.3572 1.1306 1.2051 0.6798 3.6627 1.4611 1.2618 0.1007 0.1007 0.1007 0.1007 0.1007 0.4881 0.6532 0.1007 0.5048 0.4361 0.1007 1.2184 1.3543 3.0194 0.4922 9.6441 9.3870 0.1007 0.1007 0.1007 0.1007 0.1007 0.1007 0.1007 0.1007 0.2934 0.1007 0.1007 0.4897 0.1007 0.5037 0.1007 1.0168 1.2880 0.1007 0.1007 0.1007 0.1007 0.1007 0.1007 0.5956 0.1007 0.1007 0.1007 0.6931 0.1007 1.1175 0.9832 1.2219 1.6484 0.1007 0.4068 hippurate 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.4754 0.0652 1.2374 1.0000 0.6520 2.4327 1.4618 2.6549 3.5321 0.3639 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.3794 0.0652 0.6718 1.7217 0.6942 0.3962 6.0609 3.5033 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.4408 0.4815 0.7583 0.0652 0.0652 1.3447 1.2457 1.3623 0.7492 2.2540 3.3307 0.0652 0.0652 0.0652 0.0652 0.0652 0.0652 0.6444 0.0652 0.0652 0.4657 0.8216 0.0652 5.3146 1.6375 2.2040 5.4722 0.4958 0.5858 histidine 0.8481 0.3621 0.2609 0.5581 0.4050 0.2067 3.0833 1.1192 0.3904 3.8624 3.6631 8.2508 7.9787 8.3112 7.1498 0.0869 0.1654 0.1302 1.4780 0.8564 0.6199 1.0000 0.5767 0.5362 0.7044 1.6754 2.2004 4.2335 6.9378 1.4862 5.7507 5.7685 6.2327 0.4407 0.0326 0.3503 0.7860 0.7154 0.8095 0.4215 0.6537 3.3228 2.7423 6.4773 4.3495 4.6667 6.4636 7.9659 5.2283 7.6705 0.0809 0.0957 0.1539 0.6405 0.6422 0.8386 0.5385 0.8367 0.5104 4.8792 6.3977 3.2723 9.2385 7.6781 5.7529 4.6508 7.5275 6.5924 0.0669 0.0871 0.0536 hydroxy-undecanedioate (OH-C11:0-DC)* 3.3892 0.1827 2.2869 2.4184 0.4104 1.9222 0.1827 0.1827 0.1827 0.1827 0.1827 0.1827 0.1827 0.1827 0.1827 0.3420 0.2934 0.9882 1.3931 1.2205 1.0000 0.8364 0.8911 0.5486 0.4276 0.1827 0.1827 0.1827 0.1827 0.3148 0.1827 0.1827 0.1827 0.6299 0.1827 0.4338 2.1548 2.4126 1.9525 2.1353 2.3592 0.1827 0.1827 0.1827 0.4458 0.1827 0.1827 0.1827 0.1827 0.1827 0.2878 0.8678 0.8423 2.2029 2.2208 3.2035 1.5656 2.1607 3.4475 0.1827 0.1827 0.9841 0.1827 0.1827 0.1827 0.1827 0.1827 0.1827 0.3844 1.0600 0.1827 hyocholate 0.5865 0.0207 0.0651 0.3458 0.0207 0.0797 0.1069 0.2435 0.1425 0.1609 0.1221 0.0859 0.0207 0.0207 0.0207 0.2570 0.1547 0.3645 0.0207 0.0510 0.0207 0.0348 0.0469 0.0207 0.0987 0.0207 0.1556 0.1340 0.0207 0.1096 0.1010 0.0207 0.0207 0.1342 0.1007 0.1845 6.3980 3.6227 5.1075 3.6448 2.7732 1.1354 14.2171 8.5657 16.2267 2.5164 1.2104 2.7517 0.8052 0.9486 0.3679 2.5628 1.1883 1.8951 2.7205 5.7898 1.1620 1.9234 2.8195 16.1773 12.6804 15.4576 3.2435 9.3403 9.0991 2.6559 3.2446 0.8786 1.0514 1.7451 0.3820 hyodeoxycholate 1.4611 0.0522 0.0822 0.7645 0.0311 0.1504 0.2674 1.0000 0.1807 0.7041 0.3558 0.2586 0.1420 0.1252 0.1265 0.4528 0.4177 0.8355 0.0076 0.0173 0.0418 0.0478 0.0313 0.0404 0.0512 0.0076 0.5206 0.1069 0.0189 0.4961 0.2168 0.0126 0.2448 0.2629 0.1391 0.2638 6.9539 6.8772 9.4858 5.4062 6.1673 4.8899 22.0297 40.8724 28.5525 11.4311 5.5972 8.4335 3.9336 4.7567 1.1367 5.3074 3.0978 3.9740 6.5430 8.5585 2.3829 4.8842 5.0897 25.7560 35.3232 26.9010 8.4022 25.5622 23.7895 6.0926 12.7820 2.0220 1.9040 5.1694 0.8234 indole-3-carboxylate 6.4441 0.3378 6.6415 6.2103 0.8838 5.4558 1.7351 0.5859 0.4454 0.5803 1.5178 1.6013 0.0486 0.3396 0.9077 2.6642 0.7322 3.2031 0.8413 2.5078 2.3665 0.5788 2.0020 1.6791 0.3436 0.0605 0.5745 0.1582 0.0898 1.1745 0.2272 0.0486 0.5670 0.5133 0.3673 1.6374 2.0483 3.5780 3.9171 2.3519 4.2077 0.6390 1.0000 1.4017 1.1089 0.4809 0.6131 0.3637 0.1688 0.3081 0.9541 2.1065 1.4603 5.3405 3.6771 3.5235 5.1107 3.8480 4.0749 1.5824 0.6616 1.6124 0.0486 1.2756 0.8073 0.3560 0.4768 0.1784 0.9122 1.9321 0.4190 indoleacetate 4.5159 0.8205 2.2594 1.8593 0.9697 1.2938 0.7057 0.8243 0.6799 0.7704 1.2858 0.4428 0.4428 0.4428 0.4428 1.1097 0.6537 0.9588 1.2165 1.9884 0.6476 0.8384 0.9424 0.8263 1.1750 1.0000 0.5881 0.7295 0.9580 0.9683 0.4428 0.5805 0.4428 1.2185 1.1766 0.7528 4.4586 5.5625 5.2287 1.6018 2.2959 0.9320 0.7305 0.6249 0.8415 0.4428 0.4429 0.4428 0.4428 0.4428 2.4108 1.3690 1.6275 4.1132 4.7397 5.8341 2.3374 2.1380 2.0565 0.4428 0.8759 1.3413 0.4428 0.8315 0.4428 0.6945 0.4428 0.4428 1.9644 1.5652 0.5450 indoleacetylglycine 0.1886 0.1722 0.4942 0.1722 0.5048 0.2927 1.1538 3.4795 0.5815 6.0629 0.7157 4.4198 1.1981 0.5870 1.7328 0.6950 1.3571 2.1753 1.1725 0.8522 3.2457 0.6851 0.4993 1.8532 0.9828 2.0786 1.1411 0.5871 2.0701 4.9693 0.8185 0.6628 2.7130 0.1722 3.8147 2.5410 0.1722 0.1905 0.1722 0.1722 0.1722 2.2414 1.3158 0.5091 0.9075 0.2790 1.0922 0.2836 0.6958 0.6608 0.1722 0.4438 1.0000 0.1722 0.1722 0.1722 0.1722 0.1722 0.1722 6.2013 1.1485 1.5105 1.7855 1.2033 0.9476 3.5551 0.5397 0.5719 1.7337 0.2048 0.1722 indolelactate 0.0559 0.1478 2.0834 0.0958 0.4321 1.3561 0.0188 0.0352 0.0188 0.0298 0.0188 0.0188 0.1210 0.0188 0.0188 0.5184 0.6334 0.1111 2.3774 1.5775 0.5903 1.5873 0.9636 0.3618 0.0413 0.0188 0.0188 0.0188 0.0188 0.0188 0.1162 0.1400 0.0188 1.0364 0.7194 0.4031 2.9803 1.9892 3.5643 3.8812 3.6518 2.3760 1.5200 1.0761 0.7975 0.1085 0.6450 0.2829 0.1162 0.6444 2.9417 6.2502 8.0363 1.2340 1.7495 1.6559 1.8708 3.8055 1.4298 1.8104 1.9464 1.9190 0.3022 0.5607 0.0188 0.6366 0.3287 0.0188 5.1904 3.3168 1.0422 indolepropionylglycine 0.2339 0.2339 0.2339 0.2339 0.2339 0.2339 1.5606 1.0000 0.5116 1.9069 0.2339 2.0603 0.2582 0.2339 0.8459 0.2339 0.2339 0.4477 0.2339 0.2339 1.1302 0.2339 0.2339 0.4541 0.2339 0.5470 0.3423 0.2339 0.2776 0.7897 0.2339 0.2339 0.2339 0.2339 0.2964 0.2339 0.2339 0.2339 0.2339 0.2339 0.2339 2.8978 2.2216 2.0595 1.6192 0.8351 1.9464 0.7725 0.7651 0.9298 0.2339 0.2339 0.2339 0.2339 0.2339 0.2339 0.2339 0.2339 0.2339 6.9355 3.7276 2.9927 3.0873 2.8082 2.6409 3.8031 1.2935 0.8734 0.7737 0.2339 0.2339 isobutyrylglycine 3.0266 0.4803 3.4806 3.1169 1.2838 2.5819 0.3482 0.6406 0.8290 0.6570 0.8050 0.8611 0.2772 0.7433 0.4021 0.4620 0.5725 0.6426 3.2937 4.8898 2.1406 2.1341 2.5781 1.5953 0.9305 1.0000 0.2772 0.6838 0.8444 0.4977 0.2772 0.2772 0.8574 0.6453 0.4484 0.7754 2.1100 1.8396 2.2000 2.4477 2.4394 1.3993 1.0881 0.8298 1.6770 1.9013 0.2772 0.2772 1.4672 0.7653 0.4870 0.8183 0.8051 2.3866 2.1273 2.2440 2.2831 2.0384 2.9254 0.6663 1.1925 1.0004 0.2772 0.9152 1.5317 0.7016 0.4737 0.2772 0.3032 1.0828 0.2772 isohyodeoxycholate 1.6057 0.0350 0.0350 0.6768 0.0350 0.0409 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.3911 0.2094 0.6791 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.0350 0.1027 0.2563 0.1207 8.7841 13.4100 15.7738 5.9984 9.6536 0.0350 0.0350 0.1776 0.0350 0.0350 0.1340 0.1463 0.1052 0.2290 2.1248 10.1523 2.9974 6.8576 10.2260 17.3324 2.1875 7.0425 9.7813 0.0350 0.0350 0.1393 0.0350 0.0350 0.0350 0.2109 0.3178 0.0350 1.0000 9.7514 1.0660 isoleucylglycine 1.3717 0.0478 0.3895 0.7957 0.2031 0.4432 0.3403 0.0825 0.2395 0.4201 0.6902 2.9035 3.5965 4.1325 5.1766 1.4124 1.0523 1.5330 0.3166 0.3189 0.2181 0.3429 0.3353 0.2779 0.1735 0.0970 0.1020 0.8333 2.7366 0.4200 4.8922 3.2801 4.2098 0.9277 0.1486 1.1775 1.3961 1.7055 1.8626 0.7955 1.0000 0.8365 0.9915 1.1376 2.1883 2.2498 1.7611 2.0658 3.7350 4.3784 0.3756 1.4906 0.7393 1.4932 2.0501 2.3472 0.7567 0.9586 1.0493 0.6846 0.7960 0.6820 1.1054 1.7290 3.1433 5.4772 3.6749 4.4607 0.9131 1.0467 0.9316 isoursodeoxycholate sulfate (1) 0.4249 0.2817 0.8290 0.4733 0.6495 0.9783 0.2817 1.5588 0.2817 1.1087 0.8212 0.2817 0.2817 0.2817 0.2817 0.5624 1.3931 0.4083 0.2817 0.5846 1.0217 0.2817 0.2817 1.1033 0.2817 0.2817 1.2614 0.2817 0.2817 1.3734 0.2817 0.2817 0.2817 0.2817 0.2817 0.8720 0.3196 1.3633 1.1479 1.3987 0.9674 0.2817 2.0191 0.2817 2.0566 0.4399 0.2817 0.2817 0.2817 0.2817 0.2817 1.1728 0.2817 0.2817 1.0754 0.6606 0.2817 1.4007 0.9035 1.1201 1.2963 2.1336 0.2817 0.5920 0.2817 0.2817 0.5868 0.2817 0.2817 0.2817 0.2817 isovalerate (i5:0) 36.7424 0.3791 1.6720 1.5974 0.7413 0.3910 3.4267 4.4245 13.7013 0.6233 0.6584 1.2208 0.4901 0.7783 0.7358 0.1612 0.1612 0.1612 0.5386 1.2933 0.9923 0.6001 0.1612 0.3149 3.9100 2.7451 5.2637 0.5942 0.8453 0.8260 0.6687 0.1612 0.7530 0.1612 0.1612 0.1612 52.8400 26.8610 49.4136 1.5778 1.3096 1.7874 1.0077 1.8947 0.8060 0.5157 0.9805 0.4631 0.6205 0.8337 0.1612 0.1612 0.1612 19.8620 22.6729 34.7142 2.8237 1.1205 1.4485 1.6696 1.2789 3.8979 0.6067 0.8106 0.4407 0.7268 0.1612 0.1612 0.1612 0.1612 0.1612 isovalerylglycine 3.0667 0.6329 3.3043 2.5186 1.5182 2.3825 0.5449 0.8501 0.8332 1.0385 0.6920 0.8863 0.6754 0.4560 1.0000 0.6376 0.9546 1.2289 1.9369 3.5111 2.2006 1.5186 2.2981 1.2347 0.7228 0.7554 0.4800 0.6450 0.8928 0.6819 0.6650 0.7468 0.9502 0.7958 1.5125 1.4135 1.9048 2.3014 2.5954 2.4796 2.5567 0.7355 0.8359 0.7242 1.2410 0.9957 0.7955 0.6747 0.8115 0.8560 1.2966 1.3465 1.5833 2.6314 2.3238 2.3905 2.1593 2.1848 2.6630 1.1747 0.7232 0.7886 0.5076 1.0169 1.0906 1.3274 0.8125 0.6690 0.8339 1.0463 0.1478 isoxanthohumol 7.4807 1.0000 2.5957 7.2708 2.0017 4.0082 0.2812 0.2812 0.2812 0.2812 0.2812 0.6643 0.3163 0.5900 0.7724 2.3395 2.1689 5.2341 1.4463 2.4935 2.5355 3.2485 2.8673 4.3326 0.2812 0.2812 0.2812 0.2812 0.6500 0.2812 1.0777 0.7026 0.6671 3.4751 4.3956 5.1543 0.4499 0.2812 0.7010 1.2948 0.6417 0.2812 0.2812 0.2812 0.5936 0.7633 0.3828 0.2812 0.9270 0.5016 3.2344 0.4541 1.2378 0.5023 0.5219 0.3935 1.8564 2.5262 0.6091 0.2812 0.3206 0.3989 0.2812 0.2812 0.2812 1.3903 0.2812 0.2812 1.7484 0.5302 0.7681 I-urobilinogen 0.1457 0.1457 5.5773 0.1457 0.1457 1.5566 0.1457 0.1457 0.4092 0.1457 0.5877 0.1457 0.1457 0.3139 0.1457 0.1457 0.1457 0.1457 3.1503 1.8607 0.4373 1.0000 0.1457 0.1457 0.3119 0.1457 0.1457 0.1457 0.1457 0.1457 0.2437 0.1457 0.1457 0.1457 0.1457 0.1457 0.1457 9.0296 5.6091 0.1457 1.8674 0.1457 0.1457 0.3765 0.2462 0.1457 0.1457 0.8221 0.1457 0.1457 0.1457 0.1457 0.1457 4.0465 3.5814 5.2069 0.8855 1.6604 2.0018 0.1457 0.1457 0.1457 0.1457 0.1457 0.1457 0.1457 0.4767 0.1457 0.1457 0.1457 0.1457 kynurenate 1.4763 0.2215 1.3448 1.2830 0.6117 0.9802 0.4900 0.9140 0.3146 1.4462 0.4523 1.1895 0.6982 0.7254 0.8564 0.5794 0.8233 1.1655 0.9846 1.4065 1.1823 0.6757 0.9797 0.8003 0.5618 0.6641 0.5447 0.8778 1.0000 1.3641 1.3434 0.6609 1.0467 0.5388 1.5282 1.0339 2.7718 3.6014 2.6954 3.8302 3.2902 0.6518 0.9048 0.8200 1.1010 0.3984 0.8174 0.4403 0.4334 0.8687 1.0249 1.6289 2.7723 4.8249 2.9526 3.2401 5.4448 3.6231 4.5942 1.9622 1.0679 1.1936 0.9769 1.1320 0.9719 1.4168 0.8075 0.4940 1.4017 1.4972 0.4629 lactobacillic acid 0.4794 0.0922 0.6774 0.3335 0.6138 0.6407 0.6478 0.5258 0.0922 0.9138 1.1948 0.0922 0.0922 0.0922 0.0922 0.2627 0.1596 0.4113 1.9908 0.7187 0.4591 0.5384 0.4905 0.0922 0.4100 0.7203 1.4904 0.9440 1.4637 0.6167 2.3448 0.0922 1.5037 0.7006 0.1520 0.7563 6.5487 2.0247 1.3997 1.1238 1.5832 3.2301 3.1854 0.0922 4.3956 0.0922 2.9124 0.0922 1.7825 4.3406 0.4550 0.5200 0.3282 2.5247 3.8483 3.1743 0.8338 1.0560 1.3620 2.9186 4.0860 3.7272 2.2111 7.0246 2.9524 4.2601 3.8443 0.0922 0.1713 0.6698 0.3627 laurate (12:0) 1.4802 0.3485 1.0739 0.7404 0.4734 0.5001 0.9321 0.5297 7.7911 0.7760 1.6431 1.5552 1.4165 2.0691 1.6307 0.7949 0.3600 0.6572 0.5547 0.5723 0.4588 0.4584 0.5482 1.4872 0.6403 0.8845 2.0602 0.6470 0.8763 0.6139 1.2212 1.7094 1.0612 0.7076 0.4692 0.7679 1.2851 0.9707 0.9151 0.7616 0.7257 2.8403 1.0542 1.9495 2.0436 1.3593 0.9518 1.9881 1.5687 1.9751 0.4624 0.6564 0.5214 1.1408 1.9172 1.5527 1.7338 2.5042 0.8531 2.3266 1.0000 1.1269 1.1436 1.5721 1.4023 1.7735 2.0680 2.1076 0.5536 0.4672 0.2929 leu-val-val 4.4006 0.1658 1.4583 2.6153 0.7388 1.3954 0.1968 0.1045 0.2485 0.1897 0.8647 3.5161 2.6344 5.0820 5.7924 1.0000 0.5025 1.2493 0.3144 1.9850 0.3625 0.6592 1.4312 0.9536 0.1307 0.1045 0.1880 0.5699 2.9466 0.1045 5.4060 1.6741 4.3080 0.8271 0.2420 0.6400 2.8909 2.1912 2.0168 0.2072 0.2818 0.4589 1.3341 1.4447 5.8865 3.4514 0.6633 1.3954 4.3169 2.8376 0.2257 0.4812 0.3243 2.9148 2.0738 6.7996 0.9511 0.9319 0.7224 0.8763 0.6723 0.2519 2.0584 4.4759 4.9089 12.2226 2.9418 6.9985 0.3230 0.9284 0.4689 linoleate (18:2n6) 0.2869 0.0126 0.8816 0.6081 0.5889 0.3773 1.0548 0.5648 2.0978 1.5262 1.5336 2.2342 2.0174 2.3019 2.4100 0.2096 0.1221 0.4370 0.3712 0.7925 0.5760 0.3733 0.6373 0.7354 0.7103 0.9043 1.6343 1.4306 1.8778 0.9196 2.3493 2.7546 1.9856 0.7956 0.2379 0.6534 0.8243 0.7987 0.4438 0.5339 0.7476 1.9724 1.8403 2.2005 2.3067 2.2114 1.9678 2.8675 2.2797 2.3344 0.4240 0.1905 0.1149 0.4808 1.4142 0.7832 1.2586 1.2512 1.0000 2.2167 1.9844 1.6066 1.9947 2.8660 2.3769 2.8225 2.4897 2.9642 0.1302 0.1874 0.1952 linolenate [alpha or gamma; (18:3n3 or 6)] 0.3951 0.0118 0.5743 0.5738 0.4635 0.2733 1.0000 0.4902 3.6552 1.5302 1.6321 2.0524 1.8339 2.3570 1.8682 0.2510 0.1621 0.6148 0.2469 0.5253 0.3771 0.3362 0.4895 0.9020 0.6870 0.7291 1.7881 0.9120 1.7936 0.6460 2.4253 3.0734 1.3180 1.4338 0.3923 0.7445 0.5675 0.6368 0.4155 0.7048 0.8038 2.4786 1.9512 2.4394 2.9159 2.9555 1.8307 2.9760 3.1504 3.0079 0.7405 0.2632 0.2211 0.8125 1.3496 0.6086 2.0116 2.1700 1.1403 2.7529 2.0993 1.6883 1.3593 2.8607 2.2595 3.7049 2.2278 3.2083 0.2815 0.2334 0.2400 lithocholate 9.1796 0.0345 0.0888 8.0662 0.0254 0.3137 0.2049 0.0317 0.0527 0.0922 0.1363 0.3493 0.0523 0.2359 0.5690 1.1617 0.2599 7.2134 0.0191 0.0367 0.0259 0.0321 0.0364 0.0191 0.0281 0.0363 0.0385 0.0333 0.1331 0.0598 0.1264 0.0888 0.0743 0.5071 1.0357 0.4460 58.1816 33.4354 41.3995 54.1715 40.6577 1.1278 2.9002 3.8022 3.5193 0.8722 0.9643 1.3259 0.5140 1.7089 6.3637 18.0383 16.8322 28.3714 34.4395 48.5220 17.4509 25.4049 51.1468 1.7395 3.2664 5.4922 0.4422 3.4630 3.1001 1.0854 1.6197 0.2955 2.4844 16.1398 3.0883 malate 0.2169 0.0740 0.2115 0.2548 0.1392 0.2347 1.1867 0.9305 0.2066 1.2724 1.2612 2.2671 6.7976 4.3576 5.4221 1.0726 0.6537 0.3689 0.1631 0.1207 0.1066 0.1465 0.2345 0.1650 0.3397 0.7840 0.9080 1.1049 2.4354 1.0000 3.2893 6.7697 4.6185 1.7621 2.0224 0.7038 0.4791 0.6158 0.7180 0.8110 0.9518 1.1572 2.1408 2.2806 2.4485 3.1550 1.6583 6.5018 4.0602 5.6542 3.4699 0.6392 0.5115 0.3913 0.5929 0.3501 0.6250 1.5416 0.6436 1.9741 2.6690 2.1011 3.0462 5.5648 2.4318 3.3274 7.2427 6.5819 0.9917 0.3434 0.3541 margarate (17:0) 0.8336 0.0664 1.4154 0.5164 0.5859 0.9023 0.6723 0.3749 1.0000 1.8290 1.8686 4.6380 3.7416 4.6236 7.0693 0.2206 0.1234 0.2814 0.5812 0.7672 0.6914 0.3560 0.6494 0.4461 0.2959 0.6147 1.6774 1.3266 3.8190 0.5918 4.4279 5.5887 2.9049 0.4785 0.1471 0.5918 2.5126 0.7047 0.5825 0.2639 0.4748 1.6258 2.4931 4.0174 3.3064 3.5042 2.2885 6.9138 3.4950 4.2761 0.2478 0.2087 0.1034 1.7510 1.5793 1.4891 0.4437 0.3265 0.6831 2.3007 3.7696 2.4425 3.1207 6.1001 3.8109 4.8515 4.9486 7.4487 0.0938 0.1986 0.1641 mead acid (20:3n9) 0.6100 0.0075 0.4718 0.2449 0.1833 0.3976 0.6696 0.2080 1.3541 2.0882 1.3910 4.4430 4.2923 3.7331 5.5072 0.0567 0.0373 0.0863 0.1873 0.2438 0.1854 0.2000 0.3801 0.1914 0.1547 0.3787 0.9614 1.3838 2.6667 0.4235 4.0469 4.2941 2.5042 0.1848 0.0337 0.2378 1.6187 1.0386 1.1188 0.3104 0.8036 2.1433 1.4300 6.0377 2.6568 3.6879 3.1141 5.1455 2.8660 3.8068 0.0613 0.0543 0.0368 0.0075 2.0427 1.7672 0.3916 0.5829 0.6955 2.8975 4.5216 1.4372 3.8688 6.9774 4.8026 4.3500 5.4319 5.8140 0.0259 0.0382 0.0655 myristate (14:0) 0.7798 0.0887 1.1446 0.5247 0.4827 0.5105 0.7752 0.3611 4.3763 1.0000 1.7776 1.7084 1.4368 2.4854 1.6327 0.3176 0.1767 0.5010 0.3925 0.5759 0.5257 0.2951 0.5402 0.9586 0.4810 0.8204 2.8086 0.6330 1.3792 0.4256 1.8333 2.2451 1.0240 1.2238 0.3566 0.8417 0.9306 0.6622 0.5075 0.4926 0.6661 3.6676 1.7379 2.9863 3.4329 2.4965 1.3508 2.2424 2.5874 2.4473 0.5575 0.2370 0.1882 1.2331 1.8307 0.9065 1.9047 1.7614 0.9877 3.4426 1.6577 1.6490 1.0932 2.4499 2.1981 3.4727 2.2321 2.8215 0.2061 0.2462 0.2189 myristoleate (14:1n5) 1.5835 0.0943 0.6952 0.7393 0.2547 0.3051 1.2238 0.3321 10.4307 0.4445 2.3966 1.2673 0.9487 3.8111 1.2323 1.0247 0.3305 0.8145 0.1580 0.1167 0.1382 0.1391 0.3423 1.6776 0.6063 1.2505 4.2706 0.2452 0.4758 0.2411 0.6485 0.9257 0.4532 1.0000 0.5335 0.7654 1.4245 1.0426 0.7241 0.4388 0.7733 5.7176 1.4588 3.5339 3.3613 2.3482 0.6153 1.4121 2.3517 1.3851 0.4780 0.7014 0.5596 1.2140 2.2958 1.7837 2.5947 4.0256 1.0551 4.6485 1.9432 1.5636 0.8501 3.3252 2.1278 1.5630 2.9373 1.7258 0.6266 0.5794 0.2999 N2-acetyllysine 2.3562 0.3089 0.7180 0.9752 1.0245 0.5131 0.7600 1.3450 1.3061 0.7340 0.8387 1.1104 1.0548 0.9380 1.0538 0.0824 0.2747 0.3608 0.9755 1.0991 1.1146 0.5243 0.7827 0.9074 0.8255 0.8076 1.0988 0.9344 0.5692 0.6715 0.6398 0.8401 1.0679 0.0824 0.0824 0.6288 2.5045 2.3290 1.3914 1.2056 1.7396 1.0458 0.9693 1.4087 0.7028 0.6620 0.7869 1.1895 0.4812 1.1524 0.0824 0.5319 0.3755 2.5570 2.6403 2.0960 1.1936 1.3947 1.3957 1.0596 1.9260 1.3180 1.8060 1.3916 1.0996 0.9005 0.8531 1.1171 0.0824 0.8797 0.0824 N2_N6-diacetyllysine 1.3839 0.3845 1.0726 0.9517 0.7746 0.6720 0.8838 2.1982 1.6217 1.6046 0.7655 1.5168 1.1778 0.7036 0.8475 0.2421 0.4250 0.6772 0.7595 1.2461 1.6322 0.4905 0.6567 1.0282 1.3118 2.0935 1.7066 0.6646 0.8175 1.4221 0.6558 1.0061 1.0000 0.1561 0.2640 0.7789 0.9250 1.3649 1.4496 0.7681 1.0372 1.2697 1.1365 0.9249 0.9000 0.6391 0.9338 1.2848 0.9492 1.0085 0.1629 0.4492 0.4494 1.0034 1.4491 2.5825 0.9977 1.3003 1.7517 2.5437 1.5325 1.6721 1.4469 1.3455 1.1039 1.5815 1.1135 0.8701 0.3228 0.6163 0.1538 N6-acetyllysine 2.4411 0.2763 1.2168 1.5158 0.5028 0.8336 0.8592 0.5513 0.3799 1.0222 1.2067 2.0227 3.0894 2.3515 2.5294 0.2082 0.1959 0.2814 1.4629 1.2029 0.8470 0.8144 0.8031 0.4483 0.6128 0.8028 0.6492 0.8769 1.6849 0.5236 1.2237 2.6947 1.5686 0.3614 0.0430 0.3279 1.2772 1.1128 1.4579 0.5747 0.7514 1.0000 0.8840 1.5196 0.9848 1.1863 1.4606 4.1883 1.4336 2.4586 0.1424 0.2348 0.1879 1.1759 1.7203 1.4486 0.5240 0.7189 0.6625 1.3891 1.8766 1.2409 3.5974 2.2892 1.2863 0.9511 2.9780 1.9030 0.1013 0.3452 0.0397 N6-carbamoylthreonyladenosine 0.6475 0.6425 2.5342 0.3164 2.1098 1.7425 1.5559 2.9657 2.3174 2.2408 2.2905 0.8700 0.5848 0.8947 0.4912 0.2408 0.4594 0.1734 3.7851 3.0850 3.8765 2.0526 2.0034 2.2511 2.5182 2.8573 2.6988 1.7940 1.5614 2.8760 1.0915 0.4157 0.9515 0.5450 0.0589 1.1882 0.6548 0.1053 0.0589 0.2333 0.0589 1.7467 1.4317 1.5461 0.8780 0.8768 1.0000 0.3983 0.5885 0.4621 0.0589 0.0589 0.0589 0.0589 0.0589 0.5962 0.0589 0.0589 0.2806 1.6080 1.8532 1.8153 0.8131 0.8135 1.1462 0.8065 0.5253 0.4032 0.0589 0.0589 0.0589 N6-succinyladenosine 0.0092 0.0606 0.0092 0.0092 0.1891 0.0092 0.7172 0.5159 0.3573 0.6703 1.1195 3.0709 11.4224 8.0273 7.1655 0.0092 0.0092 0.0569 0.3581 0.0981 0.0702 0.1774 0.0377 0.0092 0.3525 0.6314 0.6749 1.0000 3.0546 0.4294 2.8417 7.7934 3.9382 0.0661 0.0217 0.0092 0.0122 0.0092 0.0092 0.0175 0.0184 1.0437 2.3011 2.6022 2.3311 2.2418 1.6858 10.4424 2.8200 5.9953 0.0338 0.0092 0.0092 0.0092 0.0092 0.0092 0.0197 0.0590 0.0222 2.0540 2.7217 1.8942 4.3406 7.5741 2.9871 4.7357 12.0824 7.9223 0.0119 0.0092 0.0092 N-acetyl-3-methylhistidine* 0.9476 0.4629 1.4822 1.0014 1.2125 1.3101 0.3455 0.8336 1.0188 0.9034 0.2884 0.4054 0.1333 0.1333 0.1333 0.3679 0.2706 0.3179 1.6902 1.8225 1.6004 1.2705 1.1559 1.2203 1.0907 1.0313 0.3660 0.4598 0.1333 0.7412 0.2199 0.1333 0.1333 0.1333 0.1333 0.9013 1.6339 1.2179 1.1624 1.3978 1.2894 1.6343 0.6981 0.4782 0.3758 1.3146 0.1333 0.1333 0.1753 0.1333 0.1333 0.7576 0.5719 1.5789 1.7387 1.4139 1.0826 1.2666 1.1621 0.8010 0.1333 0.9986 0.1333 0.4723 0.1333 0.1333 0.1333 0.1333 0.1333 0.4039 0.1333 N-acetylaspartate (NAA) 4.5799 0.3321 1.1693 1.7112 0.1605 0.8955 0.8271 0.6710 0.2351 1.0464 1.3046 1.1559 0.4099 0.5092 0.5801 0.5830 0.4059 0.6189 0.4199 0.5321 0.4330 0.2747 0.7711 0.4459 0.1605 0.8241 0.7830 1.1449 1.3061 0.6422 0.8353 0.3940 0.6522 0.6995 1.0000 0.8977 22.8277 22.6268 19.2294 15.1735 16.8174 3.4135 2.2104 5.9577 1.6037 0.9394 2.4476 0.3919 0.6210 0.8739 1.4452 2.8325 3.2906 12.0569 15.1568 14.5218 4.7328 10.1052 9.4955 3.2858 5.2030 7.5240 0.6593 1.0672 1.7826 0.5059 0.5595 0.1605 1.0086 3.0266 0.8461 N-acetyl-aspartyl-glutamate (NAAG) 0.4746 0.9422 2.4432 0.1014 2.4479 1.7359 1.0541 1.7704 2.7899 1.2278 1.5614 0.3603 0.3057 0.5852 0.1014 0.1014 0.1014 0.1014 4.5786 4.4834 3.9728 2.2843 2.7808 2.0165 2.4498 2.7356 1.4619 1.0403 1.3304 1.2469 0.3623 0.1014 0.5889 0.1014 0.1014 0.4077 0.6729 0.5998 0.7880 0.1014 0.1014 1.5103 1.0988 0.8556 0.8772 1.1995 0.8950 0.2291 0.7148 0.1014 0.1014 0.1014 0.1014 0.4093 0.7102 0.6634 0.1014 0.1014 0.1014 1.0766 1.1017 1.0000 0.6879 0.3749 0.6451 0.8625 0.1759 0.1014 0.1014 0.1014 0.1014 N-acetyl-beta-glucosaminylamine 3.1325 0.2158 1.1341 1.6326 0.5811 1.1314 0.2392 0.0966 0.1983 0.1570 0.2932 1.9171 2.1416 2.1164 2.8767 0.8203 0.6886 0.7520 0.8335 1.0545 0.9477 0.7202 0.9401 1.0000 0.1544 0.0600 0.3517 0.5182 1.3417 0.1641 2.6621 1.7783 2.5227 0.7733 0.0600 1.3855 1.3645 1.3784 1.6523 0.4645 0.9880 0.4509 0.4433 1.3166 1.3723 1.1890 1.0124 0.9304 2.5358 2.9812 0.0600 0.3142 0.2348 1.2059 1.6981 2.6718 1.1615 1.4736 0.9200 0.5501 1.1078 0.5807 0.7760 1.1059 1.9978 4.9008 1.9157 2.5333 0.3333 0.3138 0.4539 N-acetylisoleucine 0.5575 1.0138 2.7899 0.3603 3.0294 1.8294 1.0000 1.5318 1.6303 1.7507 1.0908 0.6827 0.6187 0.5610 0.5789 0.4012 0.9466 0.4180 5.0293 6.9399 4.3054 2.7753 4.6785 2.6768 1.4148 1.4218 1.1608 0.9933 1.1011 1.3194 0.9320 0.7976 0.7844 1.2875 0.5898 1.5508 0.6804 0.6390 0.9182 0.5987 0.6982 2.1842 1.6866 1.7728 1.3657 1.5711 1.1171 0.5481 0.9629 0.6464 1.0736 0.7390 0.7450 0.6818 0.6580 0.8465 0.8577 1.0522 0.6226 2.1831 1.4149 1.9291 0.7646 0.9628 1.5639 1.0018 0.7905 0.4785 0.5533 1.2323 0.1378 N-acetylkynurenine (2) 1.3463 0.3818 0.9848 1.2314 0.6796 0.3818 0.3818 0.5943 0.5441 0.6755 0.9618 2.0205 1.1425 4.7814 2.7761 0.3818 0.3818 0.3818 0.8175 0.9984 0.8580 0.3818 0.7223 0.7231 0.3818 1.0000 0.5625 0.6439 1.1374 0.3818 0.7691 4.1065 1.3689 0.3818 0.3818 0.3818 0.3818 0.3818 0.3818 0.3818 0.5093 0.8772 1.5137 1.4413 1.4007 0.9842 0.3818 10.5697 0.6410 1.1199 0.3818 0.3818 0.3818 0.3818 0.3818 0.3818 0.6215 0.5852 0.3818 2.2091 3.2100 2.4815 7.2738 4.4427 1.9139 0.7869 7.7890 3.5139 0.3818 0.3818 0.3818 N-acetylleucine 0.9870 0.5595 1.8598 0.7903 1.6207 1.2787 0.6699 0.4900 0.4912 0.7277 0.7302 0.7434 0.8451 0.9687 0.8263 0.5239 0.7700 0.8924 2.4386 4.8909 2.0662 1.3713 3.4675 1.3403 0.5582 0.5398 0.4677 0.5946 1.0396 0.7521 1.2710 1.3462 0.8270 1.1246 0.6157 1.0673 0.9063 0.8123 0.9587 0.8662 0.9394 1.2706 1.9511 2.0821 1.9572 1.0106 1.8950 0.7400 1.1691 1.5285 1.3850 0.9744 1.0000 0.9198 0.9412 1.1478 1.0553 1.2280 1.0073 2.3431 2.0803 2.1219 0.8829 1.5106 1.5906 2.2900 1.0571 0.9305 0.7913 1.5301 0.1835 N-acetylmethionine 0.4310 0.5102 0.6846 0.2780 1.2483 0.4646 1.0933 0.4920 0.2216 1.5600 1.1064 1.6016 1.6210 1.8998 1.4987 0.2342 0.3460 0.1333 3.3743 2.0492 1.7524 1.7634 1.3316 1.0000 0.5739 0.6548 0.4789 1.2492 2.0813 0.8908 2.0242 0.8286 1.5141 0.5492 0.0831 0.5004 0.6747 0.5794 0.5288 0.2287 0.3111 1.4463 2.3289 2.5483 1.8278 1.5318 2.1428 1.4226 1.7323 2.2342 0.1992 0.1747 0.2490 0.5536 0.6919 0.9031 0.2926 0.3646 0.3709 2.4009 2.6271 1.6816 2.0394 2.2506 2.2558 2.3657 1.7410 1.6716 0.1305 0.1720 0.0532 N-acetylmuramate 6.2835 5.2294 9.1847 1.9795 17.0720 6.5623 1.0000 11.6965 0.5423 8.1628 2.3661 0.7772 1.3453 0.7442 0.4195 1.7390 7.0675 0.9620 1.3457 0.8850 16.3176 0.5836 0.7313 10.1968 0.2356 0.1594 3.9614 0.2403 0.1594 7.8482 0.1594 0.1594 3.1064 0.1594 0.1594 7.2685 23.2090 17.1564 14.7337 15.9695 14.8424 0.8691 0.8005 0.5767 0.6252 0.3424 0.3713 0.4347 0.1772 0.3029 0.1594 0.3827 0.3642 11.5386 16.7660 20.7789 5.6505 8.1155 13.4996 0.5993 0.4874 1.4724 0.3741 0.5403 0.3396 0.1991 0.7525 0.2443 0.1594 0.7357 0.1594 N-acetylphenylalanine 0.9424 0.5706 4.1571 0.7487 1.6465 2.6899 0.9342 0.8205 0.6481 1.1240 0.9350 0.8419 0.7898 0.9023 0.8097 0.7010 0.9086 0.7542 3.2101 4.4474 2.4318 1.6287 3.0701 1.3468 0.8870 0.7870 0.6362 0.7417 1.2247 0.9584 1.0694 0.8552 0.8229 1.0735 0.5784 0.8347 0.9382 0.9692 1.0480 0.6793 0.8098 1.7859 2.1273 1.7248 2.1338 1.8016 1.5607 1.0924 1.3996 1.1319 1.3020 0.8501 1.1072 0.9550 0.9627 1.0920 0.9467 0.9643 0.8135 2.0231 1.6629 2.0680 1.0000 1.5751 2.1277 1.5221 1.4570 1.0513 0.7858 1.6960 0.2181 N-acetylpyrraline 0.8881 0.1099 1.2775 0.6654 0.4755 0.9431 0.9452 0.8706 0.8684 1.2778 0.8414 1.5432 1.5445 1.2700 1.2827 0.4239 0.8471 1.0000 0.5690 1.0753 1.1325 0.2500 0.8858 0.6703 0.6989 0.9070 0.7253 0.7069 1.6908 1.0124 1.6168 2.3835 1.4343 0.0984 1.1383 0.9451 0.4360 0.4715 0.8256 0.4645 0.6279 1.2013 2.1656 1.1383 2.1425 1.3379 1.4839 1.2904 1.4405 1.6876 0.1116 0.3981 0.7339 1.4634 0.4956 0.2944 1.7922 0.9645 0.3805 3.0700 2.0063 1.9320 1.2436 1.5979 1.3853 3.3223 1.0234 1.2845 1.0031 0.2592 0.1224 N-acetylsphingosine 0.3111 0.0694 3.1905 0.5546 0.5517 2.5990 0.4662 0.2761 0.6905 1.0792 1.6037 1.4190 1.6761 1.6361 1.6696 0.3205 0.5246 0.5325 1.4798 1.8508 0.9544 0.5499 0.8158 0.3393 0.2762 0.5266 0.5780 0.7017 3.2616 0.5922 1.6324 1.7433 1.1734 1.5843 0.7862 1.7629 1.4128 0.7605 0.9374 0.3091 0.6361 1.0550 0.8060 0.8625 1.0961 1.3100 1.2887 1.9532 1.5314 1.4783 1.3016 0.3863 0.3348 1.4108 1.2120 1.2505 0.4698 0.2954 0.8634 0.8698 1.5447 0.8910 1.2182 1.1729 1.5361 2.0569 1.6429 1.9300 0.4658 0.4698 1.0000 N-acetyltaurine 2.5366 0.6322 2.4717 2.3999 1.4987 1.9575 0.8983 1.0291 0.9731 0.9125 0.6558 0.7111 0.2525 0.2095 0.4061 0.3493 0.5148 0.8674 2.7572 2.6076 2.4407 1.6973 1.9526 1.4950 1.1614 0.9108 0.7021 0.6063 0.4435 1.1245 0.3790 0.1807 0.4266 0.4673 0.1022 0.9598 3.6404 3.8480 3.0361 3.7495 3.1467 1.6468 1.3424 1.4250 1.2092 0.8921 1.3359 0.3322 0.5049 0.5606 0.2372 0.8671 1.2188 2.6895 2.7889 3.0838 2.3866 2.8493 3.1993 1.2513 0.7539 1.5268 0.4812 1.2457 1.0000 0.3093 0.5748 0.1763 0.2261 1.0249 0.1750 N-acetylthreonine 0.2114 0.9792 0.8963 0.0304 1.9072 0.4774 0.7022 0.8189 1.0474 0.9100 1.2020 2.0493 3.3339 2.9331 3.3366 0.0244 0.3446 0.0244 3.3451 2.9491 2.3157 1.8911 2.0682 1.5971 1.0000 1.2015 0.8976 1.1670 1.6900 0.7460 2.1659 3.1235 2.5262 0.6278 0.0486 0.6038 0.6045 0.4478 0.6484 0.3434 0.3733 1.1494 0.9729 2.1107 0.9184 0.9808 1.5273 3.7463 1.5155 2.8566 0.0945 0.1674 0.0645 0.4188 0.6602 0.5333 0.1860 0.2209 0.2907 1.6419 2.7421 1.0459 3.0786 2.1373 1.7119 1.5070 3.3439 3.2805 0.1166 0.0798 0.0244 N-acetyltryptophan 1.2225 0.4411 1.7513 1.1680 0.9170 1.3902 0.9555 0.5542 0.4761 0.7264 0.7019 0.7611 0.4997 0.8626 0.5885 0.7725 0.7988 0.8810 1.6194 1.7007 1.5029 0.9437 1.2589 1.0695 0.6706 0.5044 0.5299 0.6649 0.6994 0.7494 0.8227 0.6357 0.5964 0.9299 0.7481 0.9447 1.1939 1.1973 1.2597 1.1604 1.1221 1.1652 1.3991 1.3648 1.4302 0.9994 1.0411 0.6971 1.0000 0.8169 1.3506 0.7168 1.0489 1.2060 1.2368 1.1186 1.1717 1.3187 1.2043 1.6203 1.3056 1.3586 0.7210 1.0794 1.4220 1.3163 1.2410 1.2174 0.8991 0.9640 0.2942 N-acetyltyrosine 0.9112 0.7500 1.6853 0.6517 1.9427 1.2670 0.8810 1.2052 1.0634 1.1238 0.6946 0.5425 0.3085 0.2752 0.2553 0.4441 1.0192 0.4380 2.5797 4.9842 2.3220 1.6613 2.7829 1.4783 1.2676 1.0003 0.8032 1.0014 0.6291 1.0077 0.5157 0.2429 0.3638 0.7703 0.3499 1.2736 2.4190 1.5520 1.6402 0.9556 1.1471 2.3919 1.5448 1.1576 1.1519 1.1049 1.0000 0.3662 0.6866 0.3295 0.9555 0.8832 0.9020 1.0166 1.8193 2.3946 0.7366 0.9462 1.5384 1.3221 0.8125 1.5313 0.5242 0.9497 1.2978 0.6090 0.4826 0.2712 0.8852 1.7618 0.2060 N-acetylvaline 0.5448 0.9566 2.4252 0.4068 2.8685 1.6876 1.0609 1.4597 1.6004 1.2797 1.2202 0.7555 1.2261 0.9064 0.9904 0.2727 0.7719 0.3606 4.5542 5.6073 3.8955 2.4555 3.9328 2.2543 1.6895 1.7497 1.1460 1.2147 1.1304 1.1836 0.9541 1.5253 0.8314 0.9427 0.2756 1.2845 0.5191 0.4717 0.5939 0.4280 0.4341 2.0535 1.2966 1.7185 0.9842 1.1620 1.0477 1.3149 0.8492 0.8700 0.6970 0.3657 0.4643 0.4863 0.5777 0.4463 0.6535 0.8287 0.4451 1.7437 1.7888 1.3960 0.8855 0.9316 1.3490 0.6181 1.2428 1.0096 0.2733 0.7561 0.2727 N-arachidonoyltaurine 0.1363 0.1363 0.1363 0.1637 0.1363 0.1363 0.4050 0.2334 0.1363 1.9232 1.4463 2.1652 2.2512 2.1213 1.8336 0.1363 0.1486 0.2430 0.1363 0.1363 0.1363 0.1363 0.1363 0.1363 0.1363 0.3917 0.1363 1.0000 3.1075 0.5360 2.0497 1.5597 1.4829 0.9408 0.4066 0.4724 0.1363 0.8482 0.4831 0.1883 0.6323 0.3995 3.1359 23.8389 8.6138 7.5773 1.5983 3.5796 2.3616 1.6857 0.7603 0.2381 0.1691 0.4493 0.3826 0.5134 0.1363 0.7174 0.9029 7.6644 16.3703 5.0085 5.3336 6.9496 10.2378 3.6602 3.5251 1.3743 0.2753 0.2672 0.4545 naringenin 10.9820 0.4913 1.0011 4.5983 0.9845 1.9178 0.9631 0.1601 0.1466 9.7473 0.4738 0.5705 0.3972 3.1100 1.3892 7.4514 4.0727 10.8018 0.8797 1.3841 1.2486 1.4383 2.0548 1.4276 0.1114 1.5737 0.1494 0.2707 1.1694 0.4934 0.7087 2.3317 2.2656 4.2343 3.8442 5.4479 0.4053 0.2328 0.2025 1.7618 0.2502 0.5541 0.7064 0.5428 1.0000 1.1317 0.5963 0.1910 1.5780 0.5410 9.3724 2.3624 4.2281 0.2986 0.1405 0.2145 0.8397 0.4522 0.2289 0.9643 0.8437 6.2517 0.2550 0.3288 1.0825 1.5852 0.1124 2.5481 7.8481 2.1248 1.5299 naringenin 7-glucuronide 0.0436 0.0436 0.0436 0.0436 0.7235 0.0436 5.9982 2.9895 7.3070 2.4742 4.8031 2.1689 0.4699 1.4013 1.0318 0.0436 0.0580 0.0436 0.9996 0.2714 0.7012 0.9176 0.0898 0.3739 4.3095 7.6673 3.3649 2.5341 3.5174 2.6035 1.0317 0.5073 1.2871 0.1791 0.6594 0.0436 0.0436 0.0436 0.0436 0.0436 0.0436 2.2723 1.2465 0.8163 1.0004 1.0331 1.4292 0.1831 0.9621 0.3904 0.2021 0.0436 0.0436 0.0436 0.0436 0.0436 0.0436 0.0436 0.0436 1.4678 1.2800 3.3786 0.5698 0.5276 1.4873 0.8239 0.1198 0.4637 0.1806 0.0436 0.0478 naringenin 7-O-glucoside 0.4497 0.0769 0.0769 0.4381 0.1892 0.0769 0.3677 0.1888 2.0870 0.5711 1.2105 0.3069 0.0769 0.6040 0.1218 1.3668 0.3185 1.0972 0.1592 0.0769 0.0792 0.1547 0.0769 0.0769 0.6005 0.4676 0.4664 0.2787 0.0769 0.2806 0.0769 0.0769 0.1285 1.1552 7.0340 0.1094 0.0769 0.0769 0.0769 1.2842 0.0769 1.4879 2.1236 2.4344 2.3216 1.3970 0.9579 0.7914 1.2931 0.3391 2.5157 0.0769 0.0769 0.0769 0.0769 0.0769 0.0769 0.0769 0.0769 14.5002 5.7494 5.2362 12.8903 4.0395 4.4760 11.2278 1.4522 1.5702 3.8538 0.0769 1.0000 N-butyryl-isoleucine 1.1337 0.2292 1.2008 1.1404 0.7460 0.4883 0.2292 0.2292 0.2811 0.2399 0.2292 0.2292 0.2292 0.2292 0.2292 0.7685 0.2292 2.6567 1.4497 2.4917 1.4904 0.5871 1.8057 0.6906 0.2292 0.2292 0.2292 0.2292 0.3542 0.2292 0.2292 0.2292 0.2292 0.7410 0.6015 0.2292 1.0110 1.0005 2.4881 0.5071 0.4853 0.7957 0.2292 0.4741 0.3602 0.4655 0.6365 0.2292 0.2292 0.2292 2.0637 2.7372 3.3716 1.4624 1.3490 2.9148 1.2938 2.0950 0.9995 0.2292 0.2292 0.4487 0.2292 0.2292 0.6446 0.2292 0.2292 0.2292 1.7041 9.0260 0.2292 N-butyryl-leucine 1.5373 0.2123 1.9633 1.4704 0.5631 1.1383 0.2123 0.2123 0.2123 0.2123 0.2123 0.2545 0.2123 0.2862 0.2123 1.3620 0.3686 5.9933 0.5181 2.3187 0.7377 0.2975 1.3559 0.4227 0.2123 0.2123 0.2123 0.2123 0.2649 0.2123 0.2123 0.3063 0.2123 1.0000 0.9547 0.3780 1.6589 1.5201 3.1034 1.0391 1.1730 0.2123 0.2123 0.3989 0.5431 0.2123 0.3255 0.2123 0.2571 0.2123 2.6159 4.7087 4.7028 1.8167 1.9359 4.0963 2.1841 2.8110 1.8120 0.3182 0.2123 0.2574 0.2123 0.5209 0.5870 0.4436 0.6212 0.2123 3.2246 16.1336 0.5847 N-butyryl-phenylalanine 1.8424 0.0728 1.4924 1.6005 0.0728 1.0180 0.0728 0.0728 0.0728 0.0728 0.0728 0.1199 0.0728 0.0728 0.0728 1.2186 0.0728 5.1136 0.0728 1.0000 0.0728 0.0728 0.6345 0.0728 0.0728 0.0728 0.0728 0.0728 0.0728 0.0728 0.0728 0.0728 0.0728 0.2496 0.4217 0.0728 1.0399 1.1161 1.9383 0.6967 0.6472 0.0728 0.0728 0.2913 0.2432 0.0728 0.1483 0.1870 0.0728 0.2594 1.4412 5.1285 6.4945 1.3621 1.3526 1.8179 1.4467 1.6374 1.5061 0.1493 0.0935 0.1698 0.0728 0.2404 0.1557 0.1775 0.5267 0.0728 3.1995 20.9291 0.7412 N-carbamoylvaline 2.2706 0.8312 3.2333 2.1469 1.8234 2.3828 0.8060 1.4352 1.5226 1.4449 0.9721 0.1577 0.1577 0.1577 0.1577 0.3048 0.6995 0.5377 4.3386 2.9469 2.7591 2.4007 2.2094 1.8327 1.9903 1.7092 0.7572 0.8765 0.1577 0.9730 0.1577 0.1577 0.1577 1.0057 0.1577 0.9943 0.8652 0.1577 0.1577 0.7599 0.1577 3.2698 0.5196 0.1577 0.1577 0.6535 0.7134 0.1577 0.1577 0.1577 0.1577 0.1577 0.1577 0.1577 0.1577 0.1577 0.1577 0.9378 0.1577 0.1577 0.1577 0.3388 0.1577 0.1577 0.1577 0.1577 0.1577 0.1577 0.1577 0.1577 0.1577 N-delta-acetylornithine 1.0607 0.3798 1.2990 0.7241 0.4642 1.0209 0.9094 0.5367 0.5882 0.8492 1.4508 0.9366 1.0318 1.0955 0.9588 0.5234 0.4470 0.3579 1.1136 1.4139 0.5290 0.7493 0.9371 0.4705 0.7033 0.5746 0.5236 0.7478 1.4809 0.6567 1.0080 1.2519 0.7255 0.7453 0.4374 0.5346 2.1284 1.4925 1.8435 1.1484 0.9902 1.1688 0.9874 1.0268 1.0786 1.1975 1.4863 1.1235 1.6344 1.4101 0.9330 0.7790 0.7913 2.3135 2.1718 2.3069 1.1394 1.3674 1.0293 1.1982 1.3639 1.6363 0.9398 0.9624 1.3611 1.4715 0.9526 1.1420 0.5492 1.0000 0.2778 N-formylkynurenine 0.1274 0.0870 0.0711 0.0811 0.0711 0.1027 0.9712 0.3160 0.2348 2.6163 2.2184 4.1954 2.5044 6.4071 3.9660 0.2101 0.2287 0.0711 0.1261 0.0711 0.0711 0.1265 0.0711 0.0711 0.2683 0.6113 0.6979 3.8202 4.8402 1.8196 3.1398 7.4801 3.6516 0.1073 0.1931 0.1494 0.0711 0.0711 0.0711 0.0753 0.1499 0.7574 1.0288 1.1627 1.9416 1.1649 1.9747 7.2726 1.1198 1.9306 0.2387 0.3006 0.0711 0.0711 0.1210 0.0711 0.1355 0.1006 0.0711 1.3800 2.0368 1.1208 8.1825 5.1836 3.3260 1.9913 5.4884 4.4832 0.2566 0.1735 0.2327 N-formylmethionine 4.2083 0.2996 1.4209 1.5569 0.6054 1.1572 0.3658 0.1753 0.0992 0.4180 0.4515 0.9174 0.9593 1.4834 1.4945 0.2807 0.2656 0.3677 1.5994 2.3249 1.0000 0.9280 1.7140 0.6318 0.1682 0.1723 0.1645 0.4137 0.7954 0.2962 0.9568 1.0098 0.7617 0.4387 0.1012 0.3967 3.7771 3.2541 4.0911 1.2158 1.4585 0.9735 1.5894 1.6652 1.9645 0.6934 1.2205 1.3633 0.9029 1.4405 0.5095 0.4128 0.6040 4.3681 4.3097 5.5425 1.2236 1.0785 1.6297 1.7503 1.5837 2.3985 0.8254 2.7610 1.9671 1.5248 2.2287 1.5522 0.2343 0.2901 0.0603 N-formylphenylalanine 3.4558 0.1660 2.7672 1.6516 0.5377 1.5777 0.5579 0.5916 0.2639 0.4348 0.3340 0.7782 0.8472 1.2947 1.0646 0.6323 0.4069 0.9670 1.0524 1.5525 0.6340 0.5081 0.9674 0.5886 0.3446 0.5733 0.4770 0.3581 0.7327 0.3858 0.9757 1.1900 0.9989 1.0000 0.6536 0.5377 2.7782 1.9947 2.3466 2.3025 2.2708 1.2200 0.9182 0.8835 1.2787 0.8662 1.0265 1.3034 1.1225 1.3185 1.4087 0.9265 1.0191 1.7426 2.4750 2.9963 2.3077 2.2156 1.6928 1.0020 0.8794 1.1087 1.1264 1.0433 1.1553 0.9072 1.2124 0.9682 0.8787 1.2905 0.2712 nisinate (24:6n3) 0.5299 0.0464 1.1001 0.4364 0.5072 0.4683 1.2331 0.4010 4.6869 1.9498 2.0106 3.7069 2.7280 2.8416 2.7363 0.1364 0.0895 0.1907 0.2607 0.4530 0.4553 0.2285 0.5772 0.6393 0.2951 0.8140 2.4278 0.9285 2.1593 0.4384 2.1927 3.1749 1.6471 0.2082 0.0517 0.4561 0.7080 0.5038 0.3897 0.1417 0.4594 5.5121 3.3555 9.1776 4.1060 3.3860 2.1101 3.5518 2.2473 2.3172 0.1445 0.1140 0.0492 1.0311 1.8891 1.0600 0.8417 0.9689 0.5083 6.7903 5.8020 2.9269 2.6011 4.7685 3.5148 2.9232 2.8825 3.5739 0.0464 0.1140 0.1490 N-lactoyl histidine 0.0735 0.7990 1.2813 0.0735 2.1314 0.8471 0.4898 1.0398 1.7739 0.9547 0.5293 0.2883 0.5689 0.3070 0.2786 0.1662 0.4129 0.0735 5.4562 3.1530 3.1517 3.3366 2.1503 2.0764 2.0852 1.8265 0.7117 0.8427 1.0328 0.8311 1.0000 0.6042 0.7265 1.3328 0.3294 1.0005 0.0735 0.0735 0.0735 0.0735 0.0735 2.3512 1.6849 1.2268 1.3711 2.3256 1.0755 0.6513 1.4250 0.7541 1.3023 0.7200 0.9204 0.0735 0.0834 0.0735 0.2298 0.1642 0.1191 1.3411 1.4536 1.5092 1.1877 0.8236 1.4059 1.4210 0.3363 0.3575 1.0814 0.2755 0.0735 N-lactoyl isoleucine 0.0361 0.2418 1.0082 0.0361 0.6195 0.6671 0.7337 0.2946 0.3579 1.0377 0.7152 1.4410 2.7362 2.3996 2.6312 0.3871 0.4802 0.1143 1.9522 1.9744 0.9244 0.9586 1.3529 0.5198 0.4121 0.4071 0.2155 0.8121 1.9589 0.5492 2.2587 2.7843 1.5607 0.8923 0.6095 0.4501 0.0361 0.0361 0.0428 0.0487 0.0361 1.1870 1.5883 2.0166 2.6858 3.5568 1.8195 2.1009 3.1754 3.0926 1.4492 0.7654 1.0000 0.0361 0.0361 0.0361 0.1246 0.1237 0.0361 1.4747 1.4172 0.9007 1.8588 2.8679 2.2431 2.3646 2.2654 2.0680 0.5565 0.4390 0.1134 N-lactoyl leucine 0.1440 0.1007 0.5778 0.1820 0.3433 0.4082 1.0000 0.2480 0.2699 1.3036 0.8729 2.5048 4.4301 4.2147 4.5373 0.4923 0.4035 0.1835 1.6090 1.1298 0.4700 0.7794 0.8026 0.3092 0.3850 0.3483 0.2580 1.1865 2.6629 0.6516 3.6287 5.2828 3.0067 1.2124 0.9012 0.5231 0.1354 0.1811 0.1709 0.1170 0.1961 1.4944 3.4169 4.7826 4.5989 4.9695 3.0981 4.4162 5.3127 5.1943 1.8958 1.0718 1.3375 0.1729 0.1969 0.1731 0.2403 0.2638 0.1689 2.7722 2.6324 1.6289 3.9217 5.0917 3.7147 4.3503 3.7596 3.6385 1.0389 0.9412 0.2161 N-lactoyl phenylalanine 0.1701 0.0872 0.5594 0.1706 0.2444 0.3762 1.0876 0.3068 0.2222 1.4440 1.0870 3.5264 6.5516 6.4354 6.8557 0.6484 0.3972 0.2769 0.8430 0.9670 0.2788 0.4653 0.6575 0.1964 0.3498 0.5123 0.3059 1.4830 3.5418 0.7246 5.3776 7.9857 4.1652 1.0000 0.9207 0.3795 0.1424 0.1588 0.1394 0.1545 0.1668 1.2254 4.9421 5.3679 6.8388 7.0116 4.0144 5.9918 7.4910 7.6426 1.7774 1.5757 2.0426 0.1502 0.1550 0.1552 0.3074 0.3500 0.1569 3.7424 3.2881 2.4324 4.9552 7.1123 4.6034 7.1494 5.3114 5.8108 1.7292 1.1338 0.3816 N-lactoyl tyrosine 0.0568 0.0568 0.3120 0.0568 0.1137 0.2395 0.5449 0.1477 0.0568 0.6354 0.4623 1.1862 2.0934 2.2874 2.1688 0.3090 0.2504 0.0568 0.4086 0.6512 0.2106 0.2535 0.7182 0.0568 0.0568 0.2157 0.1916 0.6316 1.4069 0.4042 1.8971 3.0570 1.3926 0.4173 0.3823 0.1407 0.0568 0.0568 0.1822 0.0568 0.0568 0.8319 2.2187 1.9471 2.7973 2.7428 1.6495 2.2227 2.5106 2.5004 0.8314 1.7060 1.2384 0.0568 0.0568 0.1170 0.0568 0.2530 0.1894 1.6939 1.5038 1.4313 1.6702 2.6955 1.8726 2.5435 1.8630 1.9290 1.1681 1.4530 0.2041 N-lactoyl valine 0.0675 0.3041 1.0272 0.0791 0.7596 0.7447 0.9069 0.5556 0.6649 1.3891 0.9641 1.1254 2.0761 1.9079 1.8427 0.4424 0.5643 0.1363 2.1358 1.6305 0.9728 1.3361 1.2634 0.6594 0.7998 0.9079 0.4049 1.0547 1.9522 0.8286 1.8768 2.4149 1.3062 1.0544 0.6308 0.7601 0.0526 0.0662 0.0703 0.0882 0.0799 1.9870 1.8282 1.9514 2.3733 3.4468 1.5818 1.6772 2.7640 2.1752 1.4294 0.5560 0.6105 0.0526 0.0567 0.0647 0.1442 0.1889 0.0667 1.4460 1.3795 1.0658 1.4516 2.0531 2.1923 1.8220 1.6973 1.5894 0.5101 0.3918 0.1067 N-linolenoyltaurine* 0.1927 0.1927 0.1927 0.1927 0.1927 0.1927 0.6929 0.1927 0.1927 1.7039 2.0181 0.9159 0.8624 1.2947 0.6203 0.2781 0.3369 0.1927 0.1927 0.1927 0.1927 0.1927 0.1927 0.1927 0.1927 0.4897 0.3319 0.6433 2.7015 0.6340 1.5466 0.7591 0.6103 1.5664 1.1036 0.5741 0.1927 0.8752 0.4956 0.1927 0.6407 1.0524 11.6764 14.6859 23.5327 15.2508 1.4283 3.8676 4.7588 1.1526 1.4113 0.4420 0.3013 0.7863 0.6103 0.4425 0.9476 1.5965 1.2779 12.9223 23.9478 15.8536 4.0429 12.0345 13.6270 6.9069 2.6032 0.6870 0.6052 0.3158 0.5111 N-linoleoylglycine 0.1298 0.1298 1.0185 0.2698 0.2900 0.5929 1.5941 0.4179 0.6655 2.9645 2.2444 3.7025 5.3999 3.6550 5.1534 0.2534 0.3547 1.0000 0.2621 0.6750 0.2821 0.3532 0.3736 0.3140 0.5058 1.4209 1.4330 1.6493 3.4229 0.8853 3.1362 3.2219 2.9392 1.2635 0.4370 1.7476 0.2473 0.3220 0.2315 0.1839 0.3216 1.5427 0.9751 1.8775 1.5078 1.8696 2.2485 7.1625 3.0451 5.3602 0.7894 0.1457 0.1566 0.1298 0.4142 0.4408 0.2300 0.2455 0.4879 1.9497 3.9936 1.3639 6.1125 3.5422 1.9834 2.8425 7.4967 4.4751 0.1909 0.1634 0.3255 N-linoleoylserine* 0.1043 0.0690 0.4141 0.1438 0.3513 0.2997 1.9672 0.7608 0.2235 3.8665 2.4871 4.7519 4.6916 3.4854 4.9021 0.1819 0.3390 0.6000 0.2478 0.6286 0.3097 0.4433 0.3059 0.2874 0.8348 1.2889 1.2213 1.9225 3.4548 1.0000 2.8782 1.9412 3.1751 0.5600 0.1362 1.2137 0.1449 0.1716 0.2663 0.1183 0.2037 1.7704 1.5627 2.5588 1.6207 2.1711 2.4693 6.7053 1.9622 4.9629 0.3214 0.0585 0.0585 0.5111 0.0994 0.2468 0.2074 0.0585 0.2965 2.2233 3.8878 1.5139 6.3818 3.7570 1.8540 1.9426 6.3276 3.4341 0.0786 0.0585 0.0585 N-linoleoyltaurine* 0.0238 0.0238 0.0780 0.0634 0.0512 0.0809 0.5764 0.2459 0.0238 1.8020 2.0665 1.8594 2.1172 2.0409 1.8231 0.0822 0.0933 0.1252 0.0238 0.0567 0.0501 0.0357 0.0238 0.0238 0.0994 0.4362 0.5118 0.9864 3.1035 0.6628 1.9990 1.8420 1.3861 0.4280 0.2504 0.3039 0.3576 1.1216 0.6521 0.4115 1.0136 0.9232 11.7761 26.9777 24.3539 13.3044 1.6560 6.3428 4.2865 2.0930 0.4261 0.2340 0.1317 1.0622 1.0932 0.9120 0.8433 1.4643 1.5747 16.0408 29.6303 15.6518 7.7774 17.9090 20.2980 6.9367 5.6517 2.2234 0.1209 0.2141 0.2462 N-myristoyltaurine* 0.1070 0.1070 0.2322 0.3840 0.2126 0.1935 1.0076 0.3227 0.7583 2.1433 3.5497 1.0742 0.8888 1.5262 0.4449 1.4293 1.3309 1.0974 0.1744 0.3867 0.2556 0.2805 0.1455 0.1842 0.2896 1.0563 0.4788 0.9978 4.7966 0.8392 2.0788 1.2015 1.0859 4.4487 4.4628 1.6214 0.1070 0.4415 0.2125 0.2214 0.2721 2.8368 2.2314 1.7806 3.5564 6.2212 3.2062 1.0000 3.4250 1.5442 4.4818 0.9700 1.3587 0.4159 0.7045 0.1314 0.4418 0.7534 0.5796 1.7883 2.7597 2.1685 0.9302 2.2454 4.6535 4.3191 0.4834 0.8883 2.8663 0.8890 2.1743 N-oleoylalanine 0.5843 0.1230 0.8465 0.7475 0.3904 0.6295 0.7254 0.3010 0.5398 1.3935 1.4952 1.4199 1.5612 1.6586 1.3919 0.4303 0.6185 0.8827 0.2034 0.6905 0.3135 0.2729 0.2613 0.1230 0.3689 0.5527 0.5653 0.5958 2.0386 0.6575 1.5246 1.2226 0.9096 2.1650 1.0562 1.6889 0.9905 1.0446 0.7930 0.3251 0.6519 1.0095 1.0511 0.7319 1.5795 2.7419 1.5042 2.0539 2.3349 2.3716 2.0103 0.4192 0.4815 1.6567 1.1604 0.9767 0.5607 0.3625 1.0101 1.4243 1.3875 1.0453 1.2382 1.2557 1.9900 2.3295 2.3375 1.7043 0.5921 0.6973 1.5488 N-oleoylserine 0.2899 0.1040 0.8317 0.2414 0.4856 0.6046 1.0816 0.5108 1.0124 2.1686 2.0604 1.9009 1.5552 1.7082 1.7170 0.1040 0.3177 0.3534 0.5440 1.0005 0.5193 0.4196 0.4149 0.2948 0.5994 1.1799 1.5054 1.1316 2.0011 0.7918 1.1254 0.7931 0.9357 0.4350 0.1040 1.0377 0.3532 0.3528 0.4413 0.1481 0.4369 2.2288 1.6103 1.5505 1.2948 1.7813 1.3655 2.0368 1.1351 1.7808 0.2199 0.1040 0.1040 0.9995 0.4186 0.7075 0.3659 0.1487 0.4787 2.0341 2.0799 1.3323 1.9470 1.5492 1.3298 1.0580 2.1644 1.4931 0.1040 0.1387 0.1354 N-oleoyltaurine 0.1993 0.0689 0.2628 0.2680 0.1084 0.1914 0.4633 0.1682 0.3428 1.1531 2.1727 1.3200 1.1139 1.9352 1.0071 0.2619 0.3377 0.3122 0.0749 0.1880 0.1264 0.0788 0.1098 0.0689 0.1458 0.3827 0.4449 0.7194 3.7159 0.5235 2.5205 1.2660 0.9929 1.3329 0.8690 0.8405 1.6647 3.1535 1.8432 0.5066 1.3193 0.9330 2.3882 5.2565 5.8018 3.2918 1.7178 1.8417 2.4809 1.4704 1.5058 0.4946 0.2944 0.7778 2.7591 2.5543 0.3761 0.6271 1.3728 3.0343 5.2624 3.3795 1.9160 4.6748 5.6251 3.9836 1.5211 1.3205 0.3959 0.4655 0.9790 nonadecanoate (19:0) 0.3069 0.0607 0.8847 0.2424 0.7518 1.0743 0.9331 0.4671 0.8165 2.4386 2.5063 5.8494 5.1796 7.5193 14.8872 0.1676 0.1321 0.5262 0.6230 0.9768 1.0000 0.2777 0.7966 0.4258 0.1936 0.4648 2.0608 1.7393 4.5993 1.1125 4.2577 6.6868 2.5457 0.3901 0.1141 0.7062 1.7027 0.6076 0.4552 0.1277 0.4280 1.8217 1.6805 4.1942 2.5265 4.8495 3.2029 7.3866 3.5487 5.8272 0.0809 0.1505 0.0642 1.1336 1.2618 0.9502 0.3413 0.3292 0.5398 2.4250 4.5612 2.1945 3.6461 8.0872 5.5057 6.1182 5.4571 11.0198 0.0606 0.2201 0.0956 N-palmitoleoyltaurine* 0.0630 0.0630 0.1052 0.4496 0.2051 0.1515 1.0738 0.2974 0.7194 2.1633 4.1271 1.4015 0.9491 2.0546 0.6297 0.8902 0.9338 0.9691 0.0630 0.1980 0.1226 0.2034 0.1382 0.1492 0.3158 1.0000 0.5200 1.1653 5.5660 0.9672 2.8207 0.9495 1.1954 3.9689 3.0904 1.5092 0.1534 0.6291 0.3524 0.3161 0.4634 2.5544 2.2500 3.4189 4.8728 5.3428 3.0401 1.2096 3.6295 1.6273 3.4486 0.8413 1.0152 0.3332 0.7896 0.2442 0.5162 0.8669 0.6681 2.4846 4.9459 2.6619 1.4677 3.1825 5.8035 5.0098 1.1144 1.0797 1.6037 0.7884 1.8691 N-palmitoylglycine 0.2402 0.0759 1.3704 0.5858 0.6301 1.1146 0.6724 0.3571 0.9617 1.5487 1.7560 1.3529 1.1568 1.6162 1.1018 0.5142 0.8596 0.8624 0.8224 1.1637 0.7033 0.4942 0.4599 0.3664 0.4140 0.6035 0.7296 0.8041 3.0318 0.7572 1.5509 1.4381 1.1031 2.4599 1.4552 2.0816 0.3731 0.5695 0.5035 0.2341 0.4328 1.3771 1.2007 1.0000 1.5209 1.9803 1.6671 1.6180 1.7399 1.3861 2.2202 0.4930 0.5134 0.8629 0.8900 0.6094 0.5342 0.4330 0.7236 1.3322 1.4305 1.1936 1.1840 1.0287 1.9578 2.3158 1.4658 1.3018 0.7166 0.5753 1.4332 N-palmitoyltaurine 0.0643 0.0423 0.3465 0.3428 0.1471 0.2650 0.5128 0.1969 0.3934 1.3753 2.7158 1.5879 1.6422 3.2037 1.1485 0.5097 0.6982 0.5765 0.1720 0.3779 0.2307 0.1300 0.1287 0.0423 0.1666 0.5049 0.3870 0.9741 5.8816 0.6909 3.1442 2.4775 2.0160 2.7198 1.9541 1.5756 0.3549 0.7636 0.4682 0.1824 0.4523 1.7520 2.0294 4.7232 4.4035 5.2812 3.6400 2.7469 4.3812 2.3127 3.1303 0.6945 0.5864 0.5184 1.2110 0.3889 0.3944 0.4844 0.7501 2.3672 3.6221 2.3798 1.9543 4.8603 8.2244 6.2013 1.3229 1.9596 1.0259 0.7402 2.0627 N-stearoyltaurine 0.2448 0.0823 0.4822 0.2716 0.1350 0.4128 0.2536 0.1754 0.3196 1.0208 1.5096 1.5129 1.5466 2.3412 1.1511 0.3806 0.4488 0.4388 0.1912 0.3528 0.2281 0.0947 0.1838 0.0823 0.0998 0.2588 0.3408 0.5784 3.7411 0.3790 2.0060 1.7874 1.3278 1.6714 1.1638 1.1503 1.2793 1.5088 0.9792 0.2624 0.7904 0.7771 1.0223 2.6701 2.0923 2.7653 1.5423 2.1162 2.9752 1.7335 1.8005 0.4350 0.3579 0.7356 1.6042 1.4834 0.3055 0.4128 0.9173 1.6374 2.4716 0.9342 2.7125 3.5807 3.5143 3.2588 1.7481 1.6332 0.5188 0.6273 1.1919 N-succinyl-isoleucine 0.1508 1.3319 6.8705 0.1508 3.4872 4.3028 1.0087 2.9615 3.7691 2.1245 1.7510 0.2241 0.5377 0.3302 0.1508 0.8981 0.7946 0.1508 6.3328 6.7861 5.7053 3.5165 4.3075 3.2689 3.4573 3.7624 2.2004 1.3952 1.0125 2.0495 0.8218 0.3156 0.7347 0.9469 0.2833 1.2735 0.1508 0.2134 0.4118 0.1508 0.1508 2.0868 1.1175 0.6498 0.9522 1.3816 0.4191 0.2719 0.9913 0.1508 0.6777 0.1508 0.1508 0.1508 0.3176 0.1508 0.1508 0.1508 0.1508 0.9774 0.7831 0.6069 0.1508 0.1508 0.9138 0.2907 0.1508 0.1508 0.1508 0.1508 0.1508 N-succinyl-leucine 0.6168 0.8247 4.2892 0.3284 2.2196 3.0910 1.0005 2.1194 2.3292 2.2158 1.7906 0.2765 1.0483 0.4844 0.3838 0.5102 0.5666 0.2380 4.2974 4.3026 3.7304 2.5226 2.7299 2.1235 2.4326 2.7878 1.5585 1.2084 1.5515 1.6576 0.9995 1.0727 1.2990 0.8897 0.2383 1.2822 0.1965 0.2529 0.4050 0.2893 0.3231 2.1117 1.6736 1.1550 1.5889 1.7162 1.3541 0.9447 1.5887 0.1965 0.3223 0.1965 0.3725 0.3930 0.3572 0.2057 0.6332 0.5517 0.2252 1.6341 0.9447 1.0607 0.7876 0.1965 0.9083 0.8638 0.3190 0.1965 0.2249 0.2168 0.1965 N-succinyl-phenylalanine 1.8091 0.5079 2.1262 1.6893 1.5683 1.5792 1.0504 1.1836 1.2312 1.1441 0.8341 0.6890 0.2093 0.2007 0.3748 0.6132 0.6445 0.8388 2.1654 1.9323 1.8880 1.3297 1.3680 1.2089 1.1161 0.8408 0.7023 0.6245 0.3444 1.0000 0.4574 0.0919 0.4044 0.6769 0.2329 0.8088 1.7292 1.5988 1.5615 2.0297 1.7424 1.2767 1.1422 1.0532 0.9667 0.8406 1.0307 0.1643 0.5111 0.3582 0.8243 0.8582 1.1403 1.9986 1.7016 1.3553 2.0116 1.9090 1.6795 1.1477 0.5850 1.2401 0.3474 0.9070 0.8844 0.3210 0.3519 0.0935 0.4723 1.1132 0.1584 octadecanedioate (C18-DC) 1.0970 0.2553 0.3378 0.6763 0.2666 0.2987 0.9460 0.5512 0.6746 0.9862 0.9435 1.5220 1.9030 1.8921 2.5304 0.7741 0.5995 1.0204 0.2793 0.2286 0.2992 0.3724 0.2706 0.4492 0.3915 0.8179 0.7149 0.8387 1.7447 0.8041 1.9965 2.5041 1.3088 0.7934 0.9142 0.6932 2.5990 1.5571 1.8345 1.3469 1.3675 0.3771 1.0000 1.2849 1.7669 1.9030 0.8553 2.5953 2.7308 3.0705 0.8400 1.4483 0.9896 1.8434 2.0801 2.6493 0.8685 0.7593 0.9780 1.0894 1.4755 0.8361 1.3092 1.9657 1.6183 2.6827 2.4297 2.5436 1.0919 1.3715 0.5772 octadecenedioate (C18:1-DC) 0.9693 0.0829 0.1401 0.3904 0.1524 0.2088 1.6548 0.7376 0.4660 1.3306 1.3147 2.6614 1.1825 0.7230 1.2142 0.4075 0.3384 0.4376 0.1182 0.1497 0.1142 0.2279 0.2474 0.2377 0.7560 0.9711 0.8226 0.9588 1.6180 0.7533 1.0000 0.5822 0.9397 0.2786 0.2008 0.4053 7.4053 4.2817 4.4572 2.2743 1.9141 1.8748 3.2574 4.6639 2.3892 2.0321 1.6215 1.7846 0.7387 1.4651 0.5472 2.7338 1.3735 3.4124 5.0152 6.3630 0.6739 1.0291 2.0766 5.2138 5.2111 3.9110 2.8007 4.0241 1.5759 0.9771 1.8076 0.7366 0.4974 2.7519 0.5698 oleate/vaccenate (18:1) 0.6341 0.0185 1.0535 0.6064 0.5267 0.4856 0.8636 0.3907 2.7556 1.3496 1.5507 2.0296 1.8136 2.2409 2.1342 0.2690 0.1413 0.3655 0.4091 0.7884 0.6015 0.2939 0.6562 0.6000 0.5439 0.8680 2.1847 0.9065 1.5980 0.5882 2.2045 2.6302 1.4866 0.6346 0.2295 0.7242 1.0610 0.7869 0.5062 0.3394 0.6873 2.5332 1.7113 2.5347 2.5037 2.2216 1.5836 2.7306 2.2265 2.2149 0.3713 0.2090 0.1026 1.1102 1.6822 0.9642 1.0532 1.0000 0.8902 2.6921 1.8248 1.5143 1.4353 2.6676 2.1765 2.8556 2.3267 2.9584 0.1222 0.1993 0.2042 oleoyl ethanolamide 0.4587 0.0312 0.6113 0.3926 0.2772 0.8905 1.5447 0.3034 0.5088 3.3912 4.2779 2.3359 1.0036 1.4752 1.5177 0.1592 0.3173 0.5070 0.2861 0.4959 0.4310 0.2171 0.4782 0.1822 0.2749 1.1690 1.0234 1.8004 3.2495 1.4958 2.6007 1.6389 0.9946 1.0389 0.4113 1.9892 0.8184 0.6768 0.5716 0.2662 0.5842 5.1639 2.1954 3.6512 3.9103 5.2908 3.7860 1.2064 3.2142 2.1325 0.6351 0.2396 0.2107 1.4058 1.0000 0.6978 0.4221 0.3483 0.7578 4.7889 4.8658 1.8843 1.7437 2.7941 3.2110 5.3482 1.0057 2.0758 0.1646 0.4501 0.4373 O-sulfo-tyrosine 0.4988 0.6362 7.5481 0.3000 1.7655 5.7085 0.6425 1.0148 0.9341 1.3916 1.1633 1.0702 1.5333 0.8929 0.9650 0.5225 1.2814 0.1539 9.1217 6.3261 4.5018 5.1021 4.9238 2.8751 0.7332 0.9160 1.3090 0.9170 0.7909 1.0772 1.0267 1.2300 1.3485 2.0305 0.3725 2.5824 0.4299 0.6582 0.8257 0.2901 0.5988 1.3535 1.4683 1.9056 0.8427 0.7761 1.2593 1.2186 0.7458 1.0833 0.5707 0.1295 0.2213 0.6216 0.9852 0.7051 0.5188 0.5083 0.4460 2.6039 1.4913 1.3101 1.2509 1.0994 0.8255 0.6348 1.0160 0.7577 0.1295 0.1295 0.1295 oxalate (ethanedioate) 2.3039 2.8402 2.6340 1.6116 1.0774 1.4597 0.7192 0.6214 0.4557 0.3905 0.9437 1.3619 1.1241 1.6942 1.5074 0.8000 0.5552 0.5620 1.7187 3.2745 1.2098 0.8685 1.3651 0.9122 0.4892 0.8430 0.8509 0.4661 2.2873 0.4603 1.1618 1.5005 1.2200 0.8327 0.7298 0.5281 1.8072 1.4356 1.2132 0.7931 1.0000 0.7936 0.7619 0.8999 1.0543 1.3813 1.0902 0.9264 1.5207 1.2005 0.4918 0.3651 0.5065 1.2093 1.0559 2.0817 0.9856 0.8305 1.1235 0.8021 0.9546 0.9183 1.3627 0.9436 1.0987 1.1088 1.1084 1.4741 0.6674 0.5757 0.7178 palmitate (16:0) 0.6839 0.1588 1.4826 0.6775 0.8104 0.8150 0.9490 0.4848 2.1674 1.5186 2.0087 2.7122 2.6351 3.0846 3.3861 0.4094 0.2711 0.5248 0.8089 1.0000 0.8882 0.5219 0.9284 0.8678 0.5465 0.9277 2.2249 1.2919 2.6327 0.7620 3.0965 3.2961 2.4781 0.8566 0.3920 0.9951 1.0633 0.6869 0.5242 0.3590 0.6902 2.3606 2.0500 2.9666 2.7612 2.7225 2.0624 3.2979 2.7841 2.8217 0.4987 0.3233 0.2139 1.2578 1.5737 0.8744 0.8745 0.7078 0.9290 2.6186 2.3921 1.8922 2.1955 3.2617 2.7900 3.4912 3.0514 3.7244 0.2401 0.3298 0.2929 palmitoleate (16:1n7) 0.4188 0.0168 0.6787 0.3420 0.2342 0.2001 1.0323 0.2754 9.2802 1.0000 2.3980 2.0500 1.5755 3.6803 2.0818 0.2525 0.1110 0.4138 0.1121 0.2396 0.2046 0.1582 0.3304 1.2377 0.4644 1.1358 5.1181 0.4492 1.4358 0.3846 1.8289 2.3863 1.0357 0.7703 0.2061 0.6471 0.6439 0.5030 0.2884 0.3378 0.4793 5.7465 1.6026 4.2114 3.4812 2.7335 1.1554 2.8216 2.5094 2.5602 0.3752 0.1716 0.1296 0.8188 1.9144 0.5624 2.1354 2.6474 0.7768 5.5019 2.1975 1.5318 1.2335 3.3413 2.4226 3.4433 3.8835 3.6770 0.1480 0.1683 0.1583 p-cresol glucuronide* 0.1907 0.3830 0.4257 0.1907 1.5121 0.1907 0.5543 1.8907 1.0309 3.1375 0.6431 1.7428 1.5476 2.9874 0.1907 0.1907 0.1907 0.1907 0.4425 1.5123 1.6283 0.1907 1.1428 0.7159 0.6145 1.5921 0.5991 0.3361 0.9706 1.4940 0.3239 3.2907 1.2713 0.1907 0.5272 0.5263 0.1907 0.1907 0.1907 0.1907 0.1907 1.1577 0.4016 0.2776 0.1907 0.1907 0.5972 4.2668 0.1907 0.3250 0.1907 0.1907 0.1907 0.1907 0.1907 0.1907 0.1907 0.1907 0.1907 1.4644 1.3141 1.0000 3.2146 1.1231 0.9720 0.4891 2.1064 0.9936 0.1907 0.1907 0.1907 p-cresol sulfate 1.2602 0.3559 3.9739 1.0194 0.3559 9.9895 0.3559 0.8554 0.3559 3.9242 0.7632 1.7187 1.7709 0.8472 0.4087 0.3559 0.8345 0.8758 0.3559 2.8546 0.3559 0.3559 10.3441 0.5625 0.3559 0.3559 0.5253 1.0857 0.7144 1.6857 0.4312 0.5170 1.5351 0.3559 1.8912 1.0000 1.0685 1.8164 2.5419 2.7782 3.9758 0.7983 0.3559 0.4843 0.3559 0.3559 0.5920 1.0350 0.3559 0.4847 0.3559 0.3559 0.7132 3.3874 2.5492 0.6598 5.4992 2.2830 4.3655 1.1247 0.9077 0.7513 1.9701 0.9861 0.3814 0.5085 0.9272 0.4321 0.7082 0.3559 0.3559 pentadecanoate (15:0) 1.5978 0.0929 1.4050 0.7339 0.6688 0.8788 0.7231 0.4039 1.1769 0.9321 1.5824 1.8912 1.0000 1.5005 1.2151 0.2578 0.1630 0.4265 0.6637 0.8846 0.6528 0.2920 0.6014 0.5094 0.3528 0.6462 1.5061 0.8293 1.2947 0.5956 1.3014 0.8666 0.9496 0.5692 0.2322 0.7070 3.8342 1.5181 1.3019 0.5246 0.8684 1.6978 2.5086 2.8953 2.3316 1.9480 1.5161 1.7408 1.2314 1.5452 0.4573 0.3729 0.1614 2.0663 2.3124 2.6660 0.7888 0.6837 1.1184 2.1623 2.8776 3.0032 1.6909 3.0003 2.0926 1.7940 1.5733 1.3838 0.1387 0.3450 0.2548 perfluorooctanesulfonate (PFOS) 0.2828 0.2828 0.2828 0.2828 0.2828 0.2828 0.7586 0.3322 0.3920 1.0000 1.4485 1.5810 2.6975 3.0958 2.7356 0.4164 0.3198 0.7128 0.2828 0.2828 0.2828 0.2828 0.2828 0.2828 0.2901 0.3850 0.5071 0.2828 1.2142 0.8521 1.7404 2.2708 2.2605 0.2828 0.5158 0.4460 0.2828 0.2828 0.2828 0.3976 0.2828 0.9069 0.7892 1.6243 1.6027 1.2508 1.0215 3.6965 2.3304 2.8580 0.2828 0.9330 0.6033 0.2828 0.2828 0.2828 0.3223 0.3646 0.2828 0.7418 1.0015 0.5744 1.5155 2.0446 1.6670 2.6409 3.3494 3.4096 0.4993 0.9212 1.1451 phenol glucuronide 0.8821 0.4455 6.9510 1.0400 1.5403 4.4742 1.5201 3.1200 5.5547 6.3288 1.2714 2.8497 0.9872 0.0904 1.5302 0.0904 0.8082 1.0128 1.1422 1.8663 2.7028 0.7148 1.6271 1.7673 0.5871 1.4989 0.8609 0.0904 0.3626 2.0942 0.0904 0.0904 0.6677 0.3045 0.2898 1.4503 0.7535 0.8870 0.9146 0.8249 0.8197 2.5565 1.6363 0.7213 0.9146 0.5702 0.7590 0.6265 0.7959 0.1750 0.1529 1.1729 0.5091 1.1113 0.8761 0.6763 0.8673 1.0900 1.0203 5.0348 1.5194 1.5986 1.3790 1.5892 0.9399 1.7957 0.4995 0.6764 0.6031 1.3925 0.0904 phenol sulfate 0.3449 0.0369 0.9177 0.0708 0.0369 0.3845 2.5326 0.6890 0.2084 7.0644 1.2440 7.7251 1.2931 0.4794 3.9756 0.8702 2.5626 1.2979 0.0369 0.0369 0.0369 0.0369 0.0372 0.0369 0.0369 0.1118 0.0576 0.0369 0.6098 1.4679 0.0377 0.2869 0.8213 0.0369 3.4085 1.0268 0.0369 0.5772 0.6991 0.0369 0.1981 0.7305 1.8520 1.8237 2.2254 1.1039 1.0377 2.1379 2.0941 0.7232 0.3002 1.5053 0.9732 0.5448 0.6022 0.2277 0.2983 0.3553 0.1604 4.3859 3.3731 1.8206 3.0704 4.9773 1.7019 6.4446 3.1990 1.9080 7.8148 1.2499 0.8256 phenylacetate 4.8122 0.2173 1.0751 5.2724 0.2173 0.5296 0.2173 0.2173 0.2173 0.2173 0.2173 0.2173 0.2173 0.2173 0.2173 0.2173 0.2173 0.6697 0.2173 0.4639 0.2173 0.2492 0.2173 0.2173 0.2173 0.2173 0.2173 0.2173 0.2173 0.2173 0.3322 0.2173 0.2173 0.6929 0.2173 0.2173 16.3905 17.6504 11.4603 12.7043 11.9470 0.5240 0.9249 0.6313 0.7801 0.2173 0.7131 0.2173 0.2173 0.5879 1.1576 0.8658 1.2001 5.1196 12.4847 12.6691 7.4404 10.0793 12.4251 0.2173 0.8034 1.1026 0.2173 0.2173 0.2173 0.2674 0.2173 0.2173 0.5564 2.2231 0.2896 phenylacetylglycine 0.1308 0.1308 0.1308 0.1308 0.1649 0.7324 0.3656 0.3949 0.1308 0.8287 0.1308 2.1685 1.4919 0.7844 3.4006 2.0956 3.1277 5.4524 0.3933 0.6829 0.1308 0.1308 0.7466 0.2279 0.1308 0.1763 0.1308 0.1724 0.7242 0.5690 0.6229 2.2584 1.5722 0.5913 8.6735 4.8372 0.1308 0.8842 0.7031 0.1308 0.5780 0.7402 1.5589 0.9392 2.0854 0.7148 1.0913 3.1234 1.6195 3.0605 0.8746 3.2641 5.0473 0.1308 0.8425 0.1308 0.7761 0.8720 1.7911 1.2997 1.3573 1.0608 1.1695 2.4354 1.1153 8.6947 4.6532 3.6007 6.1571 0.9381 0.7732 phenylacetyltaurine 2.1833 0.4123 3.4059 2.0909 1.2184 2.4059 0.6449 1.4053 1.3421 1.4677 0.6648 0.6918 0.1624 0.1624 0.2534 0.4098 0.4175 0.6462 1.6374 3.7249 2.9004 0.8040 2.6051 1.6677 0.7270 1.0502 0.9665 0.3216 0.4208 1.3612 0.1624 0.1624 0.4030 0.3692 0.4492 0.9242 1.7818 3.3820 1.7796 1.6258 1.7973 1.5232 1.2458 1.0447 0.9384 0.7935 0.8603 0.2662 0.3726 0.2536 0.3689 1.0000 0.7897 2.2333 2.0622 1.4170 2.4667 1.9928 1.6236 2.9453 1.3159 1.6572 0.8623 1.1730 0.9244 0.7843 0.3852 0.1624 0.4920 0.8648 0.1795 phenyllactate (PLA) 0.5954 0.1826 2.1824 0.7910 0.4219 1.1517 0.0444 0.0369 0.0369 0.0699 0.0369 0.0761 0.1091 0.0373 0.1203 2.1341 1.4372 0.4676 2.3712 2.5110 0.5192 1.2224 1.1794 0.3078 0.0476 0.0369 0.0369 0.0525 0.1179 0.0369 0.1404 0.3548 0.0369 3.5869 2.4447 1.0352 1.0256 1.2860 2.1762 2.6084 2.9547 1.0181 1.3201 0.5495 1.1973 0.4384 0.9035 0.3369 0.3789 0.9852 16.5553 23.6716 42.2702 1.7685 1.3571 0.9455 4.0365 5.5685 1.0000 1.3351 1.4885 1.4736 0.1864 0.5083 0.4380 0.9327 0.3416 0.2090 28.4281 11.5580 4.6859 p-hydroxybenzaldehyde 1.7095 0.4287 1.1903 1.0000 0.7038 1.0649 0.7936 1.1655 0.9840 0.7535 0.6571 0.4287 0.4287 0.9394 0.4287 0.6177 0.5966 0.5700 1.7175 1.1429 1.0231 0.8039 1.0049 1.0686 1.6676 1.3376 0.8692 0.5205 0.6084 0.5852 0.4287 1.1164 0.4910 0.7450 1.0128 0.4769 3.2430 1.8644 1.8852 1.2951 1.2552 1.4915 1.2241 0.6022 0.6638 0.4627 0.8438 0.8966 0.5668 0.7247 1.7062 1.1620 0.9081 1.5692 2.0116 2.0612 1.2761 1.0522 1.1500 1.1471 0.6207 0.8609 0.8512 0.4287 0.5106 0.4287 0.7814 0.8392 1.3451 1.0399 1.1527 pinitol 0.0428 1.7953 8.9759 0.0052 6.7069 6.6892 1.1800 3.7316 3.6725 3.3662 1.5680 0.1698 0.4833 0.2931 0.0018 0.8464 1.6300 0.0103 12.0271 9.8138 8.7959 6.4773 7.2678 5.4813 4.5093 3.3220 1.8891 1.8349 1.0659 2.8441 1.3049 0.2855 1.0000 2.3687 0.4405 2.7508 0.0290 0.0317 0.0018 0.0314 0.0018 3.5470 2.1447 0.5553 1.4559 3.4853 0.7210 0.0642 1.5883 0.0854 1.5693 0.1013 0.2188 0.0294 0.0155 0.0159 0.0018 0.0148 0.0018 1.1593 0.3346 0.7571 0.3359 0.0790 1.5310 0.2355 0.0083 0.1072 0.2335 0.0148 0.0176 pregnenediol disulfate (C21H34O8S2)* 1.1852 0.3030 0.8892 1.4045 0.9913 1.0424 1.5560 1.3589 1.2287 1.3053 1.2672 1.0687 0.3030 0.4426 0.3388 0.3030 0.3030 0.9592 0.9198 1.4589 1.2649 0.8257 1.5847 1.5017 1.6083 1.9243 1.8035 1.4783 1.0611 1.6448 0.7064 0.3030 0.5288 0.3030 0.3030 1.0087 1.0121 0.3596 0.7068 1.5797 0.9635 0.9811 0.4444 0.5255 0.4030 0.3030 0.8431 0.3030 0.3030 0.3030 0.3030 0.3030 0.3030 0.3030 0.3996 0.3030 0.3030 0.8112 0.3030 0.3030 0.8359 0.3030 0.3030 0.3996 0.3030 0.3030 0.3030 0.3030 0.3030 0.3030 0.3030 pregnenetriol disulfate* 1.0085 0.2496 1.6636 1.2074 0.2496 1.0785 1.3041 1.8850 0.7522 1.0148 1.0538 1.0276 0.2496 0.2496 0.2496 0.2496 0.6011 0.2496 1.3712 2.0846 2.2217 0.8772 1.1219 1.0000 1.4971 1.4313 1.8410 1.8152 1.2110 2.1981 0.4565 0.2496 0.2496 0.2496 0.2496 0.9444 0.7750 0.5083 0.7176 1.3811 0.9883 0.2496 0.5760 0.6270 0.4429 0.2496 0.2496 0.2496 0.2496 0.2496 0.2496 0.2496 0.2496 0.2496 0.2496 0.5370 0.7724 0.2496 0.6741 0.7693 0.8312 0.6118 0.2496 0.2496 0.3679 0.2496 0.2496 0.2496 0.2496 0.2496 0.2496 pseudouridine 2.4996 0.4288 1.0868 1.1712 0.9267 0.8585 0.5978 0.5035 0.3693 0.8041 0.5649 0.6397 1.3905 1.3477 1.5589 0.3676 0.4230 0.2929 1.5927 1.2008 1.4083 1.0715 0.9578 1.0927 0.2736 0.5986 0.3416 0.7996 0.9961 0.4220 1.1087 1.1038 1.5533 0.5186 0.0981 0.9274 2.0425 1.2089 1.2655 0.5999 0.5631 1.0000 1.0139 0.9871 1.5368 1.3307 1.0778 1.6007 1.3872 2.1104 0.1395 0.2746 0.3566 1.6541 1.8240 2.3637 0.2430 0.2559 0.7572 1.0029 1.7476 1.0859 0.3872 1.3291 1.1599 1.8668 2.1318 1.8967 0.1544 0.2408 0.0387 pyridoxate 3.9175 0.4142 2.6266 3.6946 1.3513 1.5626 0.9922 0.9997 1.6217 1.0000 0.7046 0.7176 0.2258 0.1615 0.3754 0.3472 0.4060 0.9775 2.0674 2.3392 1.7915 1.1825 1.3736 1.0482 1.2947 1.6112 0.6386 0.5958 0.7437 0.6602 0.3438 0.2253 0.2505 0.5302 0.4937 0.3628 3.1439 3.0636 3.4140 3.2370 3.4365 1.8857 1.1746 1.2936 1.0059 1.2359 0.9781 0.1881 0.6389 0.3562 0.8284 0.8265 1.2733 4.1865 3.1847 3.2067 3.9954 3.4556 3.4936 1.4150 0.7211 1.3390 0.5303 0.9522 1.1102 0.4207 0.3560 0.1763 0.5023 1.1538 0.1272 pyroglutamylalanine* 1.0000 2.4556 4.9352 0.8151 10.3281 2.3101 5.9246 7.7112 11.6905 6.7706 8.0136 4.2110 2.2052 3.4002 2.0139 0.4719 0.7822 0.3809 12.4604 12.5327 10.6052 6.3174 6.1512 6.3184 11.2609 14.3812 6.0495 4.9737 9.3608 4.5155 4.2953 1.6743 2.4206 1.3374 0.5998 1.5705 0.6654 0.8067 0.8805 0.6725 0.7211 0.6908 0.2918 0.3501 0.6212 1.5384 0.8404 0.7281 3.5411 0.8461 0.4009 0.2064 0.2012 0.8266 0.7570 0.7886 0.6595 0.7919 0.6872 0.3996 0.2654 0.4696 0.3611 0.5336 1.1632 1.6413 0.8905 1.6229 0.1468 0.2230 0.1315 pyroglutamylvaline 0.5624 4.7444 14.4312 0.4544 15.2574 7.1705 7.4223 10.8894 19.2805 8.4090 8.2444 2.5023 1.8028 1.6061 0.9723 0.9535 2.7615 0.5002 28.6710 23.5355 22.0691 14.6417 13.8002 12.1919 16.9302 20.1857 9.7019 7.9491 6.8402 7.3817 4.4213 1.1412 2.8922 3.9744 0.4812 4.1641 0.3636 0.3663 0.3535 0.2568 0.2640 1.1624 0.4923 0.4426 0.6045 1.6609 1.0000 0.3399 2.9714 0.6338 0.5039 0.2028 0.1813 0.4240 0.3890 0.6003 0.4120 0.3540 0.2921 0.5116 0.2554 0.5994 0.2585 0.3678 1.1653 1.4730 0.4398 0.9782 0.1734 0.2111 0.1223 S-(3-hydroxypropyl)mercapturic acid (HPMA) 0.1242 0.6287 3.8403 0.1242 2.1951 2.4536 0.2914 1.4019 1.3934 1.5314 0.4100 0.1242 0.1242 0.1242 0.1242 0.6419 0.9741 0.2591 3.7005 3.9930 4.4418 2.9086 2.7903 2.4421 2.1755 2.0735 1.0967 1.0756 0.4380 1.8906 0.1242 0.5531 1.0000 1.5605 0.5098 1.8329 0.1242 0.1242 0.1242 0.1242 0.1242 1.8478 1.0540 0.1242 0.3104 1.6365 0.3709 0.1242 0.9230 0.1242 0.8832 0.2472 0.2736 0.3124 0.1242 0.1242 0.1242 0.1242 0.1242 0.6970 0.1242 0.5433 0.1242 0.1242 0.6463 0.6499 0.1242 0.1242 0.2317 0.1242 0.1242 S-adenosylhomocysteine (SAH) 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.7085 0.3428 0.0905 0.9064 1.0936 4.2911 7.7789 5.6157 8.0723 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.1071 0.4153 0.5228 1.2779 2.8710 0.4670 4.1312 7.8935 5.3169 0.0905 0.2296 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.2966 0.0905 2.9617 2.9105 0.3568 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.7248 0.4077 0.5068 0.4395 4.0823 6.0116 0.0905 0.0905 1.2486 sebacate (C10-DC) 5.7721 0.4778 1.9916 3.0895 0.6694 1.2545 0.5992 0.5885 0.9253 0.5726 0.8555 0.8310 0.9134 1.2488 1.2586 1.2367 0.9752 1.8066 1.2177 1.5910 1.0140 0.6946 1.1030 0.5010 0.8295 0.6259 0.6662 0.5330 0.7894 0.6332 1.2137 1.6386 0.7741 1.0000 1.1246 0.7081 6.7254 5.0442 5.3597 3.5228 3.6226 0.9119 0.9164 0.7273 0.8260 0.8111 0.9497 1.1419 0.8239 0.9663 1.4769 2.7080 2.4765 5.1472 6.1959 7.1847 2.5956 3.2392 3.8632 0.6770 0.6869 1.1546 2.0020 0.6689 0.8051 0.9307 0.7910 1.3650 1.5984 2.7479 0.7796 sinapate 2.9278 7.0252 18.6952 2.2632 10.2764 7.5277 0.2165 0.4334 0.4670 0.3675 0.2839 0.1491 0.2808 0.2954 0.1080 1.7499 1.9846 0.6165 23.0762 34.5108 18.8582 9.6668 10.9001 5.9365 0.3525 0.7629 0.1997 0.4222 0.5200 0.1464 0.4576 0.3863 0.3345 2.7201 0.4607 4.3723 0.8046 2.1656 1.7932 0.8898 1.2852 1.6603 1.7471 1.2713 1.1653 2.3980 0.7410 0.1909 0.7364 0.3195 4.1353 0.2208 0.3998 1.9340 1.4410 3.4705 3.8764 2.0361 1.7693 1.0401 0.8872 1.0859 0.4112 0.3449 0.9599 0.3917 0.1080 0.1990 0.1080 1.0989 0.1080 soyasaponin I 0.1124 1.1092 3.5292 0.1174 4.9776 4.0064 2.1323 3.1373 3.5660 2.6458 1.8647 0.7329 0.5372 0.6002 0.1848 2.1386 3.2677 0.2249 4.0210 4.1458 4.3506 5.3507 4.3041 5.1515 3.5549 3.7541 2.6407 2.2017 1.7757 2.2030 1.3423 0.3078 1.0008 3.4906 2.6595 4.5410 0.0224 0.0226 0.0283 0.0354 0.0296 1.6690 1.2991 0.1955 0.7713 0.8931 1.1885 0.1523 1.0000 0.4936 1.9394 0.9734 1.2300 0.0503 0.0261 0.0253 0.0939 0.1679 0.0366 0.9277 0.6976 1.1154 0.1689 0.6546 0.2719 0.6131 0.0883 0.2568 2.1184 0.8647 0.7798 soyasaponin II 0.1262 1.2334 3.9184 0.1527 5.8334 4.6718 2.6966 3.7402 4.7405 3.2110 2.4388 0.9736 0.7311 0.8240 0.2334 2.2447 3.6006 0.3326 4.5409 4.8029 4.9209 6.3195 4.9151 5.9793 4.6030 5.1865 3.3977 2.8986 2.4003 2.9501 1.6947 0.5110 1.3626 3.8671 2.8491 5.0732 0.0223 0.0213 0.0318 0.0339 0.0328 1.8532 0.8996 0.2597 0.4515 0.6706 1.3451 0.0213 1.0227 0.5417 2.1991 1.0000 1.3279 0.0473 0.0243 0.0230 0.1031 0.1674 0.0371 0.7312 0.5477 0.7332 0.1378 0.1832 0.3258 0.6598 0.0213 0.3231 1.8661 0.5494 0.7223 soyasaponin III 0.7704 0.8076 3.6089 1.0627 3.6896 8.6253 2.3036 3.2301 2.7328 3.1159 2.9227 1.5266 0.6314 1.2362 0.5437 2.6504 3.1758 1.4666 2.2762 3.2463 2.7498 3.0582 3.5814 3.1963 2.3906 2.4239 2.6640 2.2163 1.1674 2.0792 1.4982 0.2624 0.9549 2.7754 1.4286 3.2661 0.0914 0.0324 0.0559 0.2956 0.0445 1.0186 0.4696 0.5079 0.2413 0.3101 0.7179 0.0324 0.5377 0.2375 1.7755 0.5491 0.8057 0.1744 0.0393 0.0440 1.4749 1.3558 0.0868 0.4751 0.5589 0.9485 0.0835 0.0324 0.3181 0.5312 0.0324 0.1735 0.9814 0.7413 0.5977 stearate (18:0) 0.6104 0.3608 1.3086 0.5760 0.8001 0.9634 0.8501 0.7012 1.0000 1.7489 1.7996 3.6219 3.4620 3.7301 5.2781 0.4408 0.3702 0.3988 0.8890 1.1607 0.9123 0.5805 0.7960 0.5386 0.4278 0.7254 1.4963 1.5045 3.0404 0.7118 3.5671 4.5717 3.0418 0.7015 0.2780 0.6846 1.0022 0.5847 0.6560 0.3148 0.5567 1.4394 1.8871 2.5845 2.5853 2.8586 2.3364 4.1731 3.2310 3.3755 0.3353 0.2575 0.2082 1.0501 1.1007 0.9864 0.5644 0.4308 0.6540 1.9249 2.8267 1.8011 2.6287 4.0712 3.1257 3.9195 3.7777 4.9808 0.2321 0.2886 0.3049 stearidonate (18:4n3) 0.3399 0.0093 0.3290 0.5086 0.4208 0.2436 0.8289 0.4067 1.7831 1.2491 1.1462 1.6049 1.7763 2.3337 2.0871 0.6741 0.3539 1.0681 0.1349 0.3142 0.2943 0.3502 0.4417 0.6892 0.6573 0.5429 0.9167 0.6395 1.3722 0.5798 2.5685 3.9964 1.1415 2.9723 1.0000 1.1026 0.4154 0.8242 0.3997 0.7294 0.6979 1.7667 1.3475 1.3877 2.3590 2.9613 1.5113 3.1978 4.2208 4.1865 1.3462 0.6443 0.7026 0.7524 0.9004 0.5070 1.8316 1.9457 0.9510 1.8564 1.3769 1.2188 1.0203 2.2201 1.9877 4.9146 2.4432 4.2487 0.9831 0.4837 0.4388 STVLT 0.2989 0.2989 0.2989 0.2989 0.2989 0.2989 1.4078 1.1101 1.2547 0.2989 0.2989 0.9210 0.4605 0.2989 0.7062 0.2989 0.2989 4.7096 0.2989 0.2989 0.2989 0.2989 0.2989 2.3989 4.1273 0.8895 18.8354 0.9974 0.2989 1.4122 0.2989 0.2989 1.1870 0.2989 0.2989 2.7985 0.2989 0.2989 0.6825 0.2989 0.2989 0.4744 1.8140 2.3227 2.5878 0.7687 0.2989 1.0000 0.2989 0.7004 0.2989 0.2989 0.2989 0.6247 1.4586 1.1613 0.2989 0.9948 0.2989 1.3929 0.7002 1.4568 0.6654 0.8888 0.6618 0.8805 1.2953 0.7976 0.2989 0.2989 0.2989 sulfate* 1.6757 0.0776 0.2923 1.2558 0.1490 0.1945 1.8286 1.6450 0.5232 2.1355 1.9125 2.4753 1.3216 1.5497 1.8916 0.3436 0.4308 0.4529 0.1812 0.2893 0.1879 0.1157 0.2424 0.1553 1.1898 1.0390 2.2159 2.8669 1.7847 2.8179 2.0087 0.9913 1.8177 0.3896 0.3641 0.3116 1.1174 1.0536 0.9390 0.5022 0.7276 0.6425 1.0000 1.2056 1.5904 0.8847 1.3414 1.6711 1.0361 1.0482 0.7685 0.3266 0.3677 0.8202 0.7546 1.0917 0.6318 0.6253 0.6941 1.1254 1.4597 0.9175 1.6460 2.1683 1.6239 1.7758 1.5979 1.3830 0.3394 0.3836 0.1923 syringic acid 2.8985 0.1429 1.0308 3.3177 0.4712 1.3179 0.9752 0.3283 0.3622 0.3859 0.5376 0.8994 0.1429 0.1563 0.6330 0.5797 0.3066 1.9265 0.9167 0.1429 0.4118 0.4352 0.5161 0.3463 0.3780 0.1429 0.1770 0.1429 0.1429 0.2411 0.1429 0.1429 0.1429 0.2489 0.1429 0.5159 1.7903 4.2775 3.0046 2.8556 4.1544 0.9922 1.7167 2.1366 1.7822 0.5451 1.0078 0.1429 0.3392 0.9747 0.9449 2.5047 2.2047 6.4413 5.3478 4.2405 5.9832 6.4339 6.6038 2.2429 1.0337 2.3774 0.6925 2.2788 1.5306 0.4154 1.1022 0.1429 1.5752 3.8940 0.7192 tartronate (hydroxymalonate) 0.8568 0.6488 1.2780 1.3884 0.9290 1.0841 0.7001 0.6511 0.4038 0.6203 1.5819 2.0314 1.1672 1.7368 2.0716 0.1101 0.1101 0.6294 1.1207 1.5443 1.0353 0.7368 1.1410 0.8806 0.4871 0.7105 0.6346 0.8471 1.6247 1.0700 1.2163 1.0994 1.6755 0.5386 0.1101 0.7326 0.2446 0.1563 0.1289 0.2033 0.3545 1.0000 1.4196 1.6267 1.7098 1.0429 3.3516 1.3882 1.0730 2.6330 0.1101 0.1101 0.1101 0.3280 0.3055 0.2184 0.4566 0.5270 0.4672 0.8989 1.0401 0.4251 1.8076 1.6513 1.7981 1.2337 1.1835 1.6698 0.1101 0.1368 0.1380 taurochenodeoxycholate 0.4759 0.0191 0.1689 0.2290 0.3664 0.1227 38.1269 23.7101 22.1856 61.7884 81.0150 36.7830 31.7963 47.0815 22.5675 0.1950 0.2873 0.2072 0.1378 0.3414 0.5256 0.1608 0.1788 0.3078 15.7449 34.5340 51.1966 44.8403 54.6251 82.9411 33.2952 16.7925 41.8921 0.1403 0.2869 0.0652 0.2973 0.0207 0.0557 0.5505 0.0501 35.2435 1.1869 17.0080 3.7501 21.1171 31.8819 6.0841 23.6279 19.2705 0.0298 0.0258 0.0255 0.0854 0.0236 0.0632 0.2297 0.0349 0.0704 9.3919 7.9994 1.0000 29.2836 0.5852 31.6198 34.6241 9.2486 24.5894 1.5834 0.0209 0.3590 taurochenodeoxycholic acid (7 or 27)-sulfate 0.9334 0.1604 1.4958 0.7834 0.8596 1.4197 1.4118 2.0221 2.7527 1.7896 4.0416 1.1560 0.5268 2.1297 0.4423 0.6620 0.6469 0.5997 0.6146 1.1706 1.7477 0.5161 0.9922 1.4126 1.1290 1.7767 3.1514 1.4396 1.2791 3.3597 0.8006 0.2319 1.3112 0.2554 0.0132 1.4498 0.9305 1.0549 1.2871 1.1748 1.5569 0.8509 0.7437 1.5376 0.8654 0.5382 0.6638 0.2344 0.3754 0.3347 0.1936 0.5879 0.4908 0.9113 0.9879 1.1613 1.1653 1.4439 1.4600 1.6833 1.9005 1.8087 1.0182 1.1468 1.1247 1.0000 0.4374 0.3486 0.0857 0.5675 0.0458 taurocholate 0.8618 0.0320 0.3475 0.2319 0.3573 0.2035 49.6939 21.4204 21.0992 41.2061 56.8910 46.3000 24.0315 33.0427 31.2508 0.3360 0.4654 0.6001 0.5548 0.7081 0.4648 0.3548 0.3416 0.2564 26.7988 37.2715 30.3739 52.4121 54.7339 43.7250 41.0238 20.1248 24.0140 0.1673 0.4130 0.0604 0.3265 0.0163 0.0512 0.5829 0.0417 45.9592 2.0689 16.9359 6.4272 22.5570 39.4520 9.5885 24.6022 24.8944 0.0144 0.0146 0.0187 0.0662 0.0252 0.0497 0.1281 0.0314 0.0520 10.4761 11.9944 1.1255 23.2957 1.0000 26.4831 30.4908 13.0234 25.3774 0.5946 0.0103 0.1625 taurocholenate sulfate* 2.1818 0.1767 1.2696 1.8947 1.3825 1.7670 0.9167 2.3271 3.0534 1.1208 1.6130 0.8431 0.5252 1.0492 0.7145 0.8749 1.0178 1.2256 0.7770 1.6790 1.5441 1.2001 1.9156 1.7455 1.7236 2.0507 2.2988 0.7685 1.0423 1.7893 0.0274 0.6890 1.1728 0.4160 0.0274 1.3861 1.8804 1.2147 1.6182 3.1182 2.1248 0.7914 1.2167 0.7705 0.8672 0.0274 0.7468 0.6428 0.3896 0.7813 0.2939 0.6363 0.9241 0.5091 0.9822 0.5667 0.7951 1.6829 0.9264 0.0274 0.8856 0.8872 0.0274 1.2646 0.0274 0.0274 0.5362 0.0274 0.0357 0.4556 0.0385 taurodeoxycholate 0.3688 0.0047 0.0973 0.1831 0.0047 0.0642 31.3894 0.0047 5.5462 0.0047 19.4907 34.1607 0.0047 7.8345 18.7410 0.0615 0.0344 0.1565 0.1195 0.1491 0.0542 0.0924 0.0856 0.0047 3.4673 6.2063 0.0047 6.2560 9.4613 0.0047 4.9213 0.0047 0.0047 0.0416 0.0047 0.0094 3.0542 0.1042 0.1797 2.8990 0.1262 83.0644 1.3992 28.1821 11.7396 37.3836 96.8908 25.1977 52.5289 59.0493 0.0105 0.0993 0.0618 0.0910 0.0612 0.1830 0.1619 0.0955 0.1866 7.6084 10.8007 0.4932 24.8858 0.4546 68.1661 34.4395 25.5610 60.0036 2.1515 0.0434 1.0000 taurodeoxycholic acid 3-sulfate 0.8377 0.0774 0.5173 0.5572 0.5331 0.4541 2.5760 1.8219 2.1250 1.8478 5.0780 2.0112 0.6294 2.3985 0.7463 0.2020 0.3610 0.2748 1.2298 1.2861 0.6339 0.9642 1.4903 0.4802 2.2538 3.2146 2.9331 2.7169 2.2704 3.1360 1.2603 0.5058 1.4194 0.5138 0.0326 0.4725 1.5324 0.7350 1.0358 1.4697 0.9468 6.2978 4.3144 3.8321 4.3449 1.8942 5.2613 1.3403 1.6153 2.9703 0.0326 0.0429 0.1570 0.0326 0.4559 0.0634 0.0988 1.1414 0.0995 0.0326 3.3260 0.6357 0.1213 1.6798 0.6383 0.2090 0.9445 0.2726 0.0326 0.0372 0.0326 taurohyocholate* 0.1123 0.0080 0.0190 0.0080 0.0108 0.0080 3.6532 1.7550 1.2919 2.6089 4.3287 2.7986 1.0239 1.7916 1.8670 0.0080 0.0080 0.0088 0.0139 0.0372 0.0184 0.0080 0.0080 0.0113 1.8900 2.0135 2.8363 3.0393 3.0574 4.5286 2.7653 0.7088 1.6656 0.0080 0.0080 0.0080 0.0080 0.0080 0.0080 0.0080 0.0080 1.0548 0.2442 0.7967 0.8079 0.7390 0.7624 0.5793 0.7397 0.4145 0.0080 0.0080 0.0080 0.0114 0.0080 0.0080 0.0170 0.0080 0.0080 1.2227 1.9373 0.1779 2.7462 0.0080 3.6750 2.5440 0.9761 2.2749 0.0450 0.0080 0.0148 taurohyodeoxycholic acid 0.8797 0.0130 0.0823 0.2302 0.1786 0.0961 33.9641 12.1735 13.9069 28.6601 49.3860 27.8800 14.1572 21.5693 14.8119 0.1029 0.1230 0.1510 0.0776 0.1713 0.1773 0.0971 0.0757 0.1029 8.3607 15.1614 19.6110 16.7412 24.2045 28.9439 12.5843 7.1922 10.6202 0.0477 0.0303 0.0301 1.0000 0.0205 0.0705 1.2406 0.0448 31.1882 1.6584 19.1743 4.0024 17.8151 24.7444 4.7183 16.0656 12.0649 0.0052 0.0146 0.0218 0.0880 0.0195 0.0606 0.1508 0.0397 0.0595 6.9588 9.5809 0.9509 17.4626 0.3333 26.2446 16.8890 7.0160 17.2847 0.6782 0.0138 0.2053 taurolithocholate 0.2714 0.0233 0.0233 0.2257 0.0233 0.0233 3.3950 0.4693 1.3372 1.3248 2.9308 4.5210 0.7631 1.7785 2.7455 0.0233 0.0233 0.1171 0.0233 0.0551 0.0455 0.0401 0.0233 0.0233 0.5091 0.8659 0.9568 1.0000 1.2724 1.2113 0.9920 0.5220 0.8186 0.0233 0.0233 0.0233 1.3554 0.1097 0.2317 2.0034 0.3102 12.6792 1.7432 7.3365 4.2021 7.1021 10.4720 5.1778 7.4556 8.0365 0.0233 0.1155 0.0997 0.1605 0.0895 0.2168 0.2889 0.1753 0.4309 3.5897 3.9214 1.7977 6.3808 1.0863 21.8783 8.5679 5.9124 13.8637 0.3812 0.1031 0.2247 taurolithocholate 3-sulfate 0.9819 0.0896 0.3358 0.8260 0.2718 0.3525 3.7815 2.2074 2.6088 2.6256 7.2572 3.3921 1.1787 3.7663 1.0959 0.3088 0.3441 0.5381 0.0896 0.4099 0.3743 0.2369 0.4573 0.3374 1.7218 4.2427 3.4718 2.0223 3.6939 3.8854 1.0000 0.5666 1.2813 0.1436 0.0896 0.4241 1.9470 0.9532 1.3931 2.7408 1.5283 7.6241 3.1968 4.1503 3.3471 2.0648 5.2657 0.7836 1.7887 2.3022 0.0970 0.2993 0.6625 0.0896 0.7265 0.1268 0.2057 1.6028 0.2315 0.5269 3.9587 0.8528 0.0896 2.5723 0.5677 0.0896 0.9336 0.3530 0.0896 0.0896 0.0896 tauroursodeoxycholate 0.0998 0.0046 0.0274 0.0536 0.0393 0.0213 9.4838 3.3302 3.4791 9.2669 16.8518 9.0878 4.6316 7.8585 6.0469 0.0355 0.0419 0.0511 0.0264 0.0495 0.0304 0.0287 0.0326 0.0212 3.7647 7.8230 4.8767 10.8537 14.7293 8.8355 8.3045 3.7653 4.0936 0.0108 0.0204 0.0078 0.1469 0.0131 0.0307 0.1611 0.0252 9.9283 1.6901 6.7545 3.1122 5.9708 8.8589 2.5457 5.6791 5.5015 0.0024 0.0047 0.0063 0.0439 0.0121 0.0310 0.0736 0.0199 0.0275 4.0597 5.4455 1.0000 7.1457 1.3169 8.4166 7.3947 3.8092 4.8896 0.2169 0.0056 0.0495 tauroursodeoxycholic acid sulfate (1) 0.8521 0.2672 1.6770 0.7991 1.3116 1.4029 1.3001 1.3612 1.8903 1.1832 3.1897 0.9609 0.5106 1.3654 0.4334 0.3747 0.7039 0.3229 2.3435 2.5613 0.9179 1.6294 1.1884 0.8744 1.9380 1.9029 1.2723 2.2904 1.2299 1.0224 1.1415 0.4265 0.4483 0.6351 0.1770 0.3972 0.7377 0.6508 0.7945 1.3012 1.4552 1.3715 2.3457 2.7321 2.1123 1.1982 1.0956 0.7664 1.0000 0.3073 0.1770 0.2254 0.2533 0.1939 1.0352 0.3095 0.2427 1.1751 0.3718 0.5867 3.5063 0.9019 0.4117 1.7117 0.9436 0.2770 1.1012 0.2988 0.1770 0.1770 0.1770 tauroursodeoxycholic acid sulfate (2) 1.3292 0.1836 1.7429 1.3132 0.8933 1.5450 1.8257 1.2650 1.9078 1.2142 2.3447 1.4589 0.2888 0.9848 0.5383 0.5047 0.4676 0.9251 0.8801 2.2304 1.1993 0.6715 1.7998 0.9073 0.9335 1.8964 1.4565 1.0000 1.1839 1.3650 0.4892 0.2454 0.4635 0.2615 0.0051 0.5880 1.8248 1.6949 1.8344 2.4978 1.8679 3.1898 2.6813 3.7799 2.4962 1.5477 1.8981 0.7948 1.2347 0.9835 0.1530 0.3030 0.6422 0.3261 0.9003 0.4283 0.4267 1.4878 0.4961 1.3225 2.1902 1.6761 0.6669 1.3800 1.8249 0.6552 0.9550 0.4930 0.0399 0.2725 0.0312 tetradecadienoate (14:2)* 0.6238 0.2899 0.5453 0.5664 0.5127 0.4396 1.3016 0.6648 1.7889 1.2459 1.6810 3.3977 4.4172 3.5766 5.0485 0.5291 0.3929 0.8147 0.3569 0.5811 0.4968 0.4381 0.4976 1.0004 0.6642 0.9087 1.1227 1.1496 2.0001 0.9951 3.2877 6.6347 3.4010 0.6791 0.6429 0.4949 0.5560 0.7218 0.6219 0.2899 0.4596 2.0094 1.3923 1.9337 2.9227 2.7732 1.7203 6.5168 3.3592 5.1607 0.5449 0.6795 0.5097 0.7091 0.7398 1.0496 0.9996 1.9313 0.9414 2.3586 2.1402 1.6896 2.6602 4.3948 2.6916 4.2633 5.0150 7.0177 0.6326 0.3908 0.3515 tetradecanedioate (C14-DC) 3.3139 0.3881 0.3908 0.9785 0.4069 0.4104 0.7765 0.5255 0.5770 0.6875 0.7678 1.1705 2.3158 1.7240 2.0367 0.7748 0.5936 1.0479 0.4722 0.3593 0.3378 0.3262 0.5929 0.3245 0.5426 0.5884 0.7013 0.6220 1.1761 0.6530 1.6847 1.9550 1.5499 0.6844 0.5182 0.5788 3.7841 1.7763 1.9160 1.3811 0.9251 0.7642 0.7572 1.1168 0.9651 1.3953 0.8201 2.4398 1.2289 2.1044 0.6938 1.6786 1.0993 3.6342 2.9480 3.8166 1.1899 1.0239 1.2948 0.7816 1.0688 1.0000 1.1577 1.3186 1.1463 1.2219 1.7257 2.1792 0.8699 1.3687 0.5725 thymidine 1.1156 0.1954 0.3204 0.7585 0.4964 0.3178 2.5178 0.3234 0.0644 4.0912 4.5041 5.8053 2.1199 1.8789 1.2478 0.5015 0.3397 0.7240 0.3189 0.4227 0.4501 0.4100 0.6059 0.5383 0.5658 1.7625 0.2514 4.6827 5.7200 1.9563 4.3495 1.3673 1.6669 0.5361 0.1028 0.6998 0.7159 1.2644 0.9117 0.6684 0.6083 2.8163 2.4482 5.9173 2.2588 2.1577 4.7925 1.2951 3.8593 1.3235 0.1831 0.2608 0.2173 1.0852 0.7169 0.6848 0.8248 1.0000 0.8395 5.7165 6.2633 2.9760 6.7880 3.5740 5.0771 1.3940 1.2666 1.4766 0.0327 0.2333 0.0336 thymidine 5^-monophosphate 0.3721 0.0709 0.1428 0.2098 0.0709 0.2151 0.0709 0.0709 0.0709 0.0709 0.1516 31.5397 8.8237 8.6275 3.5866 0.0744 0.1169 1.8459 0.0709 0.0709 0.0709 0.0709 0.7027 0.0709 0.0709 0.3016 0.0709 0.0931 5.5692 0.0709 16.2300 3.3204 4.9490 0.8331 0.0917 0.1559 1.1173 1.3693 1.2625 0.3437 0.2784 0.2653 5.9481 10.0712 16.4525 16.8539 6.5970 4.5856 21.2261 5.0693 0.3001 0.4922 0.9106 1.0000 0.4822 2.1468 0.4097 1.1827 0.5208 0.4543 0.4282 0.5602 28.8197 36.9482 26.1522 4.9731 4.8980 4.1798 0.0994 0.7813 0.0709 thymine 2.0902 0.0343 0.2751 1.0000 0.0534 0.3724 0.0960 0.0300 0.0300 0.3385 0.1877 2.3824 8.0814 1.7840 3.4534 0.4790 0.4484 0.8965 0.2442 0.1707 0.0851 0.2551 0.2576 0.0837 0.0381 0.1011 0.0300 0.1928 1.7760 0.0882 2.7883 5.3932 2.2490 0.7200 0.2131 0.4836 2.2612 3.3593 3.2709 1.1878 1.2521 0.4815 0.5358 3.6606 0.8431 1.1194 1.1238 3.9872 5.3286 2.7177 0.7677 1.8288 1.8319 2.6648 2.7087 2.3248 0.6455 0.9725 1.1296 1.4433 2.0659 0.9944 6.3375 3.6527 1.4309 0.7568 3.0963 3.4288 0.6345 1.9014 0.2307 tyrosol 2.4570 0.3188 0.3188 0.5875 0.3188 0.4133 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 1.0821 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.3690 0.3188 0.9446 0.3188 0.3188 1.0164 1.1802 1.1886 0.5444 0.9226 0.3188 0.3188 0.3188 0.3188 0.5362 0.3188 1.2345 0.6548 1.1287 2.7434 1.0423 1.1014 1.5670 1.5878 1.7619 1.1996 0.5266 0.9836 0.3188 0.3188 0.3188 0.3188 0.3188 0.3188 0.4740 0.7218 0.4492 1.5038 0.6902 0.3188 tyrosylglycine 1.3174 0.0278 0.8915 0.7273 0.4518 0.8706 0.6312 0.2236 0.4177 0.9622 2.0012 4.3313 4.3329 5.7371 5.5547 0.8976 0.8157 0.9190 0.4977 0.8102 0.3834 0.5225 0.9670 0.6340 0.3279 0.4288 0.5053 1.4789 4.2413 1.0833 4.6232 4.0697 4.3485 1.0205 0.0496 1.4330 0.5969 1.0054 1.1938 0.4689 0.6985 0.9900 1.4069 1.6547 2.8015 3.0624 2.1645 4.1726 4.0853 3.9816 0.1107 0.1517 0.1078 1.5859 1.9896 1.7434 0.8678 1.0000 0.8544 1.1487 1.0457 0.7495 2.7962 3.4785 4.0731 4.8869 5.0068 5.3210 0.4816 0.2023 0.5974 undecanedioate (C11-DC) 6.6910 0.2561 1.2635 2.3514 0.3600 0.7734 0.4136 0.3506 0.5484 0.3864 0.6236 0.8091 1.0000 1.4840 1.7372 1.9284 1.1449 6.1217 0.4961 0.7402 0.2800 0.4028 0.7047 0.4985 0.4604 0.4363 0.4614 0.5051 0.7222 0.4735 1.2743 1.1688 0.8071 1.8833 2.9030 0.9080 6.1375 3.7182 4.5191 1.9269 2.0797 0.5298 0.5212 0.6792 0.9013 0.7227 0.9358 1.4437 0.8954 1.7834 1.9086 5.6091 3.4433 4.9921 6.8767 7.4813 1.8094 2.0941 2.5926 0.5345 0.6254 0.8110 0.9626 0.8693 1.0396 1.0166 1.2391 2.0237 2.6071 4.4077 1.0400 undecanoate (11:0) 1.3577 0.4461 0.5632 0.6702 0.5066 0.4176 0.9147 0.5923 1.2285 0.9018 1.0000 1.5970 1.5565 1.2979 2.2491 0.4798 0.3341 0.4441 0.5394 0.5441 0.4993 0.4775 0.5207 0.6273 0.8490 1.0149 1.0096 0.8161 1.0289 0.7433 1.3663 1.9477 1.3401 0.4764 0.4135 0.4343 1.4743 1.1067 0.9303 0.7375 0.6333 1.4084 1.1837 1.5333 1.9870 1.3397 1.0650 2.2712 1.4590 2.1362 0.4082 0.5748 0.3928 0.9558 1.0277 1.5823 1.0842 0.9413 0.8556 1.3067 1.5916 1.1844 1.7891 1.7933 1.8008 1.7299 2.1833 1.9321 0.5358 0.3546 0.3146 uridine 3.8359 0.2770 1.1575 1.8976 0.5146 1.1120 0.8082 0.3106 0.1242 1.1595 1.1373 1.0883 0.6660 1.4999 0.7522 1.5653 0.6581 1.1724 0.5878 0.6310 0.8461 0.4956 0.6327 0.7175 0.2266 0.4594 0.5939 2.7398 1.7063 0.7448 1.4382 0.5256 0.7225 1.0841 0.2785 0.9623 3.9076 1.3821 1.1011 1.3763 0.8916 1.0611 1.0427 0.7811 1.7900 1.1425 1.5659 0.7834 1.0000 0.8708 0.5789 1.2433 1.0678 0.7666 0.9165 4.1147 0.6992 0.9939 1.4122 1.4787 1.5682 1.1990 0.3875 0.7184 2.2025 2.2917 1.1354 1.1171 0.6331 1.1584 0.4845 uridine-2^_3^-cyclic monophosphate 0.3122 0.0941 1.6353 0.2204 0.0941 2.9092 0.2194 0.0941 0.0941 0.7221 0.3103 1.2150 1.1629 0.9900 2.0668 0.8167 0.1359 27.1109 0.0941 0.0941 0.0941 0.4517 0.2132 0.3049 0.0941 0.0941 0.0941 0.7477 0.9932 0.3003 1.6881 0.4768 1.8159 0.7214 1.4741 0.4767 16.6276 2.7938 1.7253 3.9905 0.1807 0.6432 0.8729 1.0106 3.5035 1.9867 2.1643 1.0068 1.3076 1.7396 1.7455 0.2539 1.7968 1.4819 2.7904 17.2346 0.4647 0.5591 5.6266 0.7853 0.5760 0.8564 0.0941 0.8051 2.0700 3.5342 1.4582 1.5375 0.4509 0.7081 0.0941 ursocholate 2.6459 0.0249 0.1111 1.1311 0.0650 0.1019 0.3218 0.2292 0.1489 0.1595 0.3614 0.2947 0.0524 0.1956 0.1682 0.7948 0.1639 1.2758 0.0579 0.1950 0.0781 0.0368 0.1548 0.0393 0.0688 0.0401 0.2300 0.1171 0.0608 0.1966 0.0835 0.0245 0.0579 0.0825 0.3594 0.1461 26.6816 32.8100 33.1899 16.4656 23.5727 1.0002 6.9501 7.4702 7.5087 2.0094 0.9719 1.9829 1.0000 0.9845 2.9992 21.0276 7.1871 8.4995 20.4300 31.9777 3.1888 12.1704 18.1197 4.0856 7.4310 6.2940 2.5270 6.4353 4.8240 1.2499 2.1596 1.2797 1.4379 15.3816 1.5126 ursodeoxycholate 0.0077 0.0417 0.0205 0.0077 0.0094 0.0485 2.2655 0.7288 0.2701 0.8906 0.8563 1.8206 0.1986 0.3176 2.1237 0.1713 0.2336 0.4940 0.0103 0.0077 0.0091 0.0315 0.0166 0.0168 0.1385 0.0077 0.4953 0.4472 0.0077 1.0000 1.2206 0.0133 0.5158 0.1456 0.0411 0.1354 2.9216 0.0077 2.7014 3.1798 0.0077 28.8328 48.7329 81.3973 66.3734 27.1899 28.4061 16.8308 8.0860 22.9455 0.2246 2.7809 1.2165 0.0077 0.0077 0.0077 0.9285 2.0982 0.0077 46.3956 55.1807 38.8688 16.2870 61.0477 36.0761 12.6158 21.4417 3.1422 4.6640 2.9683 0.7214 valerate (5:0) 117.7502 0.3094 1.6345 5.0085 0.8593 0.7439 2.1393 2.9953 9.9115 0.7133 0.9989 1.3377 0.6318 0.7106 0.8407 0.2381 0.2381 0.2381 0.7320 0.6631 0.4697 0.5427 0.3473 0.4392 2.5457 2.3927 4.2461 0.6874 0.9946 1.0772 0.4178 0.4074 0.6738 0.2381 0.2381 0.2381 143.0151 93.6639 114.3797 3.9118 2.4967 1.9543 1.1303 2.5219 0.8194 0.6943 1.0000 0.4626 0.7244 0.9428 0.2381 0.2381 0.2381 83.4443 71.0044 109.0239 3.8346 1.0647 2.5146 3.0090 1.0455 2.4972 1.1654 0.4563 0.4383 0.7341 0.5723 0.2381 0.2381 0.2381 0.2381 valerylglycine 3.6489 0.3467 3.0468 2.7784 0.8824 2.1931 0.1816 0.6362 0.3637 0.4152 0.6182 0.9317 0.7976 1.2693 1.0148 0.7582 0.6106 1.0067 1.9653 2.5779 1.3952 1.0691 1.8302 0.7453 0.4658 0.5399 0.5638 0.5765 0.7901 0.2396 0.7418 1.3477 0.9676 1.0699 0.7751 0.8355 2.4360 2.5887 2.8856 2.3185 2.7422 0.6903 0.7883 0.8354 1.1564 0.9507 0.9933 1.1642 1.1891 0.8893 1.5306 1.2004 1.4076 3.1771 2.9048 2.8623 2.7147 2.6922 2.7744 0.8592 0.6414 0.8655 1.0841 0.9523 0.8477 0.1816 1.2136 1.2162 0.5780 1.3670 0.2101 val-val-ala 0.7340 0.0145 0.2651 0.6458 0.1060 0.3534 0.4674 0.0311 0.1540 0.4051 0.6924 2.3103 1.2820 2.3542 2.3582 2.6314 1.6472 1.1127 0.1332 0.2110 0.1123 0.1986 0.3423 0.6021 0.0918 0.0533 0.1090 0.4767 2.1660 0.5112 2.0468 1.7345 1.5187 0.7465 3.6727 0.5361 1.0516 1.2712 1.2202 0.4525 0.5722 1.2484 1.5100 1.2164 3.0944 2.4741 0.9484 1.0000 2.2037 1.4199 0.7368 1.2699 1.7957 1.2565 1.4039 1.8309 0.6925 0.7720 0.6943 0.5939 0.4138 0.3360 0.6569 1.2706 2.4881 2.8095 1.3999 2.3863 2.5921 1.4975 1.1468 valylglycine 1.5366 0.0405 0.2536 0.9165 0.1299 0.3481 0.2149 0.0821 0.1226 0.3081 0.5265 3.5858 4.9807 4.4261 6.6193 0.9584 0.7598 1.2685 0.1315 0.2006 0.1174 0.1869 0.2387 0.1845 0.0989 0.0827 0.1039 0.6716 2.4372 0.2601 5.7696 4.3210 5.3575 0.9132 0.1030 0.9534 1.2713 1.4113 1.6913 0.8594 1.1879 0.6049 1.0050 1.3152 2.3907 2.7991 1.4823 2.1066 5.6106 5.7904 0.2128 2.0068 0.8822 1.2917 1.9108 2.0453 1.0000 1.2931 1.1765 0.7491 0.8991 0.6150 1.4243 2.1332 3.4681 6.7165 4.2073 5.4855 0.8797 1.1304 0.9907 vanillactate 0.6868 1.5191 5.8423 0.5587 2.2750 4.8738 0.7747 0.6152 0.7163 0.9683 0.5043 0.6306 0.4880 0.1464 0.3189 1.6272 1.3881 0.7989 4.9424 8.0792 5.5927 3.2329 5.8042 4.2473 1.2134 0.7391 0.4818 0.5511 0.9545 1.1005 1.1440 1.0140 0.9860 2.2421 1.0869 3.1168 0.1464 0.1464 0.4134 0.2928 0.3460 1.3711 1.3600 0.6945 1.1613 2.5384 0.9777 0.2555 1.5206 0.1464 3.5506 0.6796 1.5112 0.1464 0.1464 0.2540 0.6750 0.6843 0.1464 1.3925 0.9169 1.0770 0.7812 0.1464 1.6903 1.2046 0.1464 0.6008 2.7673 0.1464 0.2586 vanillate 14.7050 2.2168 8.9996 3.9281 1.1966 4.6681 0.0831 0.3384 0.4895 0.3646 0.0831 0.0831 0.0831 0.0831 0.0831 4.9214 1.7963 2.9411 4.0642 9.0833 3.0939 1.3914 2.2143 1.1681 0.4643 0.8121 0.2066 0.0831 0.0831 0.0831 0.0831 0.0831 0.0831 7.5701 4.9274 3.0795 0.8448 1.2871 0.6993 0.4981 0.9398 0.7648 0.7874 0.4673 0.4420 0.0831 0.4547 0.0831 0.0831 0.0831 11.1745 0.7757 2.3956 1.2148 1.0000 0.9043 1.0848 0.5757 0.6712 0.0831 0.0831 0.3121 0.1413 0.0831 0.0831 0.0831 0.0831 0.0831 4.6517 0.4796 0.3245 vanillic alcohol sulfate 0.2303 0.7702 0.2303 0.2303 1.2724 0.2303 0.5830 3.6203 2.4822 4.1115 0.5578 1.2545 0.8298 0.2303 0.2303 0.2303 1.2793 0.2303 1.3723 0.2303 5.4359 0.8968 0.2303 2.8370 0.7060 2.4247 2.5727 0.2303 1.0000 2.5224 0.2303 0.2303 2.0517 0.2303 1.2411 1.5950 0.2303 0.2303 0.2303 0.2303 0.2303 2.1386 0.7365 0.2303 0.2303 0.8561 0.5061 0.2303 0.5811 0.2303 0.2303 0.2303 0.2303 0.2303 0.2303 0.2303 0.2303 0.2303 0.2303 3.0110 0.4421 0.6719 0.3740 0.2303 0.7166 0.9680 1.0149 0.4906 0.7402 0.2303 0.2303 vanillin 0.9135 0.4444 0.8759 0.6696 1.0095 0.8474 0.6505 1.3077 1.0778 1.4559 1.0009 1.1733 0.2125 1.3261 1.1129 1.5661 0.5405 0.9680 1.5871 1.0885 1.9098 0.9595 1.0907 1.0846 1.5671 1.3113 1.2494 1.3139 0.7182 0.7823 0.2125 0.5256 0.8154 4.1214 1.9092 0.9991 0.6929 0.6792 0.8999 0.7978 1.0716 1.2880 1.0815 1.1466 1.2607 1.0218 0.8060 1.2354 0.8053 0.8265 4.3206 0.7288 0.8218 0.7793 0.9134 1.2844 0.8303 0.9204 0.9125 0.9430 0.9867 1.8872 1.3622 0.8465 1.5035 1.0033 1.1919 0.9813 1.8219 0.4825 0.4532 vanillin sulfate 0.0334 0.8896 0.3372 0.0334 3.5119 0.0558 1.7146 2.9577 4.9075 3.2935 1.3062 0.5923 0.6247 0.8376 0.2416 0.0334 0.6287 0.0334 1.9983 1.6727 3.4195 1.1207 0.4899 2.0433 2.3901 3.9899 2.7647 1.3313 2.2439 2.4139 0.9225 0.4875 1.3560 0.2471 0.1543 0.7154 0.0334 0.0334 0.0334 0.0334 0.0397 3.7193 1.9408 1.0153 1.2359 2.3151 1.0052 0.1879 1.3631 0.2437 0.0334 0.0334 0.0334 0.0617 0.0334 0.0334 0.1110 0.0334 0.0474 1.8312 1.0000 1.3448 0.7795 0.2852 2.5135 0.5424 0.3871 0.5091 0.2028 0.0334 0.1193 vanilloylglycine 0.3368 1.0000 1.5716 0.1909 2.5503 1.1490 7.5560 3.4520 4.4743 2.8439 2.4893 4.4479 1.0006 1.4498 1.8596 0.0961 0.5754 0.1773 5.5617 2.9827 4.9791 3.5509 2.0187 3.1869 4.6983 4.9384 3.2666 2.5025 2.0183 3.0434 1.4761 1.0993 1.1873 0.9402 0.2537 1.4189 0.1031 0.1117 0.1345 0.1307 0.1815 2.3482 1.7867 0.5409 0.8131 1.0330 0.9085 0.2536 1.9015 0.3897 0.0642 0.0724 0.1288 0.1184 0.0962 0.1418 0.0794 0.0947 0.1065 1.7324 0.6904 1.0630 0.4588 0.3739 0.6173 0.7172 0.1190 0.6761 0.1361 0.0642 0.0642 xanthosine 2.8109 0.1470 1.2568 0.6141 0.5328 1.2046 0.8686 0.4396 0.3866 0.4066 1.0000 1.6816 3.7625 3.1628 5.0878 0.7950 0.3947 0.7760 0.9522 1.1572 1.1569 0.5808 0.9885 0.9116 0.2437 0.5011 0.4744 1.1342 1.2545 0.3619 1.9745 6.0464 2.0584 0.4315 0.3008 1.4599 1.5735 1.6624 1.5268 0.3956 0.2934 0.3500 0.3597 1.4832 1.0976 2.2011 0.7711 6.6102 3.2296 3.0854 0.4463 0.1803 0.0448 2.1777 3.0236 2.8174 1.2468 0.4153 0.6107 0.5990 1.7059 0.3602 2.7516 3.3282 1.3513 1.8754 5.9471 5.6737 0.2452 0.2545 0.2085 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 10-heptadecenoate (17:1n7) 5312435 10-hydroxystearate 9561835 C03195 10-nonadecenoate (19:1n9) 5312513 1-(1-enyl-oleoyl)-GPE (P-18:1)* 0 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 10917802 12,13-DiHOME 10236635 C14829 1,2,3-benzenetriol sulfate (1) 0 1,2,3-benzenetriol sulfate (2) 12-dehydrocholate 6674 12-ketolithocholate 3080612 (12 or 13)-methylmyristate (a15:0 or i15:0) 151014 13-HODE + 9-HODE C14767,C14762 (14 or 15)-methylpalmitate (a17:0 or i17:0) C16995 1,5-anhydroglucitol (1,5-AG) 64960 C07326 16-hydroxypalmitate 10466 C18218 (16 or 17)-methylstearate (a19:0 or i19:0) 3083779 18-methylnonadecanoate (i20:0) 4383090 1-arachidonoyl-GPC (20:4n6)* 24779476 C05208 1-arachidonoyl-GPE (20:4n6)* 42607465 1-arachidonoyl-GPI (20:4)* 121596217 1-arachidonylglycerol (20:4) C13857 1-dihomo-linolenoyl-GPC (20:3n3 or 6)* 52924055 1-dihomo-linolenoyl-GPE (20:3n3 or 6)* 0 1-dihomo-linolenylglycerol (20:3) 0 1-dihomo-linoleoylglycerol (20:2) 0 1-dihomo-linoleoyl-GPC (20:2)* 0 1-docosahexaenoylglycerol (22:6) 53480995 1-docosahexaenoyl-GPC (22:6)* 10415542 1-docosahexaenoyl-GPE (22:6)* 85333229 1-eicosapentaenoylglycerol (20:5)* 53480988 1-eicosapentaenoyl-GPC (20:5)* 0 1-eicosapentaenoyl-GPE (20:5)* 53480938 1-eicosenoyl-GPE (20:1)* 52925139 1-eicosenoyl-GPI (20:1)* 0 1-heptadecenoylglycerol (17:1)* 0 1-linolenoylglycerol (18:3) 53480978 1-linolenoyl-GPE (18:3)* 52925148 1-linolenoyl-GPG (18:3)* 0 1-linolenoyl-GPI (18:3)* 0 1-linolenoyl-sulfoquinovopyranosyl-glycerol (18:3)* 0 1-linoleoyl-digalactosylglycerol (18:2)* 5317594 1-linoleoyl-galactosylglycerol (18:2)* 5320254 1-linoleoylglycerol (18:2) 5283469 1-linoleoyl-GPA (18:2)* 0 1-linoleoyl-GPE (18:2)* 52925130 1-linoleoyl-GPG (18:2)* 0 1-linoleoyl-GPI (18:2)* 11124828 1-linoleoyl-GPS (18:2)* 0 1-margaroylglycerol (17:0) 107036 1-margaroyl-GPE (17:0)* 52925149 1-meadoylglycerol (20:3n9)* 0 1-methyl-5-imidazolelactate 0 1-methyl-beta-carboline-3-carboxylic acid 5406157 1-myristoylglycerol (14:0) 10957631 C01885 1-myristoyl-GPE (14:0) 86583448 C04438 1-myristoyl-GPI (14:0)* 0 1-oleoylglycerol (18:1) 5283468 1-oleoyl-GPE (18:1) 9547071 1-oleoyl-GPG (18:1)* 0 1-oleoyl-GPI (18:1) 86289645 1-oleoyl-GPS (18:1) 85036846 1-palmitoleoylglycerol (16:1)* 0 1-palmitoyl-digalactosylglycerol (16:0)* 0 1-palmitoyl-galactosylglycerol (16:0)* 10413348 1-palmitoylglycerol (16:0) 14900 1-palmitoyl-GPA (16:0) 6419701 C04036 1-palmitoyl-GPG (16:0)* 3300276 1-palmitoyl-GPI (16:0) 71296207 1-palmitoyl-GPS (16:0)* 9547100 1-pentadecanoylglycerol (15:0) 190750 1-pentanol sulfate 68398 1-stearoyl-GPA (18:0) 89567 1-stearoyl-GPG (18:0) 0 1-stearoyl-GPI (18:0) 1-stearoyl-GPS (18:0)* 74819135 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 0 2,4,6-trihydroxybenzoate 66520 2,4-di-tert-butylphenol 0 2,8-quinolinediol sulfate 0 2-acetamidophenol sulfate 181671 2-aminophenol sulfate 181670 2-arachidonoylglycerol (20:4) 5282280 C13856 2-arachidonoyl-GPI (20:4)* 0 2'-deoxyguanosine 135398592 C00330 2'-deoxyinosine 135398593 C05512 2'-deoxyuridine 13712 C00526 2-dihomo-linoleoylglycerol (20:2)* 0 2-docosahexaenoylglycerol (22:6)* 46896303 2-eicosapentaenoylglycerol (20:5)* 11660820 2-heptadecenoylglycerol (17:1)* 0 2-hydroxy-3-methylvalerate 164623 2-hydroxydecanoate 21488 2-hydroxyhippurate (salicylurate) 10253 C07588 2-hydroxymyristate 1563 C13790 2-hydroxyoctanoate 2-hydroxyoleate 9796304 2-hydroxypalmitate 2-hydroxysebacate 128458 2-hydroxystearate C03042,C03045 2-linoleoylglycerol (18:2) 5365676 2-methylcitrate/homocitrate C01251 2-myristoylglycerol (14:0) 137938 2-oleoylglycerol (18:1) 5319879 2'-O-methyluridine 102212 2-oxindole-3-acetate 3080590 2-oxoadipate 71 C00322 2-palmitoleoylglycerol (16:1)* 53480960 2-palmitoyl-galactosylglycerol (16:0)* 0 2-palmitoylglycerol (16:0) 123409 2-stearoyl-GPE (18:0)* 2-stearoyl-GPI (18:0)* 131770413 3-(3-amino-3-carboxypropyl)uridine* 171198 3-(3-hydroxyphenyl)propionate 91 C11457 3-(3-hydroxyphenyl)propionate sulfate 187488 3-(4-hydroxyphenyl)lactate 9378 C03672 3-(4-hydroxyphenyl)propionate 10394 C01744 (3'-5')-adenylyladenosine* 94231 (3'-5')-adenylylcytidine 10875494 (3'-5')-adenylylguanosine* 135508729 (3'-5')-adenylyluridine 145459093 (3'-5')-cytidylyladenosine 91519 (3'-5')-cytidylylcytidine* 94237 (3'-5')-cytidylylguanosine 65101 (3'-5')-cytidylyluridine* 145459097 (3'-5')-guanylyladenosine* 0 (3'-5')-guanylylcytidine 145459099 (3'-5')-guanylyluridine 145459101 (3'-5')-uridylyladenosine 92951 (3'-5')-uridylylcytidine* 145459103 (3'-5')-uridylylguanosine 107394 (3'-5')-uridylyluridine 145459105 3-acetylphenol sulfate 0 3beta-hydroxy-5-cholestenoate 165511 C17333 3-dehydrocholate 159655 3-dehydrodeoxycholate 160738 3-deoxyoctulosonate 119228 C01187 3-formylindole 10256 C08493 3-hydroxy-2-methylpyridine sulfate 0 3-hydroxyarachidate* 5282918 3-hydroxybehenate* 5282921 3-hydroxydodecanedioate* 16663321 3-hydroxymyristate 16064 3-hydroxyoctanoate 26613 C20793 3-hydroxyoleate* 0 3-hydroxypalmitate 15569776 3-hydroxypyridine sulfate 0 3-hydroxysebacate 3017884 3-hydroxystearate 5282907 3-indoleglyoxylic acid 73863 3-indoxyl sulfate 10258 3-methoxycatechol sulfate (2) 0 3-methyl-2-oxovalerate C03465,C06008,C00671 3-phenylpropionate (hydrocinnamate) 107 C05629 3-phosphoglycerate 724 C00597 4-acetylcatechol sulfate (1) 0 4-acetylphenol sulfate 4684006 4-chlorobenzoic acid 6318 C02370 4-hydroxycinnamate sulfate 6070438 4-hydroxyhippurate 151012 4-hydroxyphenylacetate 127 C00642 4-hydroxyphenylacetate sulfate 0 4-hydroxyphenylpyruvate 979 C01179 4-methyl-2-oxopentanoate 70 C00233 4-thiouracil 2734394 4-vinylcatechol sulfate 0 4-vinylphenol sulfate 6426766 C05627 5,6-dihydrouridine 94312 5alpha-pregnan-3beta,20alpha-diol disulfate 118703093 5-HEPE 6439678 5-HETE 5280733 C04805 5-HETrE 16759351 5-hydroxypicolinic acid 268740 5-methyluridine (ribothymidine) 445408 5-oxoproline C02237,C01879 6beta-hydroxylithocholate 5283821 C15515 6-oxolithocholate 164960 7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 3081085 C17337 7-ketodeoxycholate 188292 7-ketolithocholate 444262 8-hydroxyoctanoate 69820 9,10-DiHOME 9966640 C14828 aconitate [cis or trans] C004174,C02341 adenosine-2',3'-cyclic monophosphate 2024 C02353 adenosine 3',5'-cyclic monophosphate (cAMP) 6076 C00575 adenosine 3'-monophosphate (3'-AMP) 41211 C01267 adenosine 5'-diphosphoribose (ADP-ribose) 192 C00301 ala-ile-ala 18218408 alpha-CMBHC glucuronide 0 alpha-hydroxyisocaproate C03264 alpha-muricholate 53477700 C17647 amoxicillin 33613 DG00520,C06827,D00229 apigenin 5280443 C01477 apigenin 7-O(6-malonyl-beta-glucoside) 5281602 C10020 apigenin glucuronide (2) 0 arachidate (20:0) 10467 C06425 arachidonate (20:4n6) 444899 C00219 azelate (C9-DC) 2266 C08261 benzoate 243 C00180 beta-citrylglutamate 189741 C20775 beta-muricholate 5283853 C17726 bilirubin degradation product, C16H18N2O5 (1)** 0 bilirubin degradation product, C16H18N2O5 (2)** 0 bilirubin degradation product, C16H18N2O5 (3)** 0 bilirubin degradation product, C16H18N2O5 (4)** 0 bilirubin degradation product, C17H18N2O4 (1)** 0 bilirubin degradation product, C17H18N2O4 (3)** 0 bilirubin degradation product, C17H20N2O5 (2)** 0 biochanin A 5280373 C00814 biopterin 445040 C06313 butyrate/isobutyrate (4:0) 264 C00246 caprate (10:0) 2969 C01571 caproate (6:0) 8892 C01585 caprylate (8:0) 379 C06423 catechol sulfate 3083879 chenodeoxycholate 10133 C02528 chenodeoxycholic acid sulfate (1) 21252308 chenodeoxycholic acid sulfate (3) 21252312 cholate 221493 C00695 cholate sulfate 0 chrysoeriol (3'-O-methylluteolin) 5280666 C04293 citrate 311 C00158 coumestrol 5281707 C10205 cyclic adenosine diphosphate-ribose 123847 C13050 cyclic(AMP-GMP) 135564529 cyclo(pro-arg)* 0 cyclo(pro-arg) (D,L)* 0 cysteine s-sulfate 115015 C05824 cytidine 2',3'-cyclic monophosphate 23421172 C02354 daidzein 5281708 C10208 daidzein 7-O-glucuronide 11316354 daidzein sulfate (1) 12114465 daidzein sulfate (2) 12114465 daidzin (daidzein 7-O-glucoside) 107971 C10216 dehydrolithocholate 5283906 deoxycholate C04483 deoxycholic acid 3-sulfate 22833601 deoxythymidine diphosphate-rhamnose 439975 C03319 digalactosylglycerol* 0 dihomo-linoleate (20:2n6) 6439848 C16525 dihomo-linolenate (20:3n3 or n6) 5280581 C03242 dihydrocaffeate sulfate (2) 0 dihydroferulate 14340 dihydroferulic acid sulfate 187489 dihydrokaempferol 122850 C00974 DIMBOA 2358 C04720 diosmetin 5281612 C10038 diosmin (diosmetin 7-rutinoside) 5281613 D07858,C10039 docosadienoate (22:2n6) 5282807 C16533 docosadioate (C22-DC) 7641 C14240 docosahexaenoate (DHA; 22:6n3) 445580 C06429 docosapentaenoate (n3 DPA; 22:5n3) 6441454 C16513 docosapentaenoate (n6 DPA; 22:5n6) 6441454 C16513 docosatrienoate (22:3n3) 5312556 C16534 docosatrienoate (22:3n6)* 75955220 dodecanedioate (C12-DC) 12736 C02678 dodecenedioate (C12:1-DC)* 5283028 eicosanedioate (C20-DC) 75502 eicosapentaenoate (EPA; 20:5n3) 446284 C06428 eicosenoate (20:1) C16526 enterodiol 123725 C18166 enterolactone 114739 C18165 enterolactone sulfate 0 equol 91469 C14131 equol glucuronide 46781484 equol sulfate 0 erucate (22:1n9) C08316 erythrose 94176 C01796 ethyl alpha-glucopyranoside 11127487 ethyl beta-glucopyranoside 121667 ferulate 445858 C01494 ferulic acid 4-sulfate 6305574 feruloylquinate (1) 0 feruloylquinate (2) 0 feruloylquinate (4) 0 feruloylquinate (5) 9799386 C02572 ferulylglycine (1) 0 ferulylglycine (2) 0 flavin adenine dinucleotide (FAD) 643975 C00016 flavin mononucleotide (FMN) 643976 C00061 flavone derivative C26H28O14 (2)* 0 flavone derivative C26H28O14 (3)* 0 flavone derivative C26H28O14 (4)* 0 flavone derivative C26H28O14 (5)* 0 flavone derivative C26H28O14 (6)* 0 flavone derivative C26H28O14 (7)* 0 formononetin 5280378 C00858 gamma-CEHC glucuronide* 121596235 gamma-glutamyltyrosine 94340 genistein 5280961 C06563 genistein glucuronide* 0 genistein sulfate* 0 gentisate 3469 C00628 glucuronide of C12H22O4 (2)* 0 glycerol 753 C00116 glycitein glucuronide (2)* 0 glycitein sulfate (1) 0 glycitein sulfate (2) 0 glyco-beta-muricholate** 0 glycochenodeoxycholate 12544 C05466 glycocholate 10140 C01921 glycoursodeoxycholate 12310288 guanosine 6802 C00387 guanosine-2',3'-cyclic monophosphate 92823 C06194 guanosine 2'-monophosphate (2'-GMP)* 135460966 guanosine 3'-monophosphate (3'-GMP) 135398727 heneicosapentaenoate (21:5n3) 11998573 heptadecanedioate (C17-DC) 3083765 heptadecatrienoate (17:3)* 16061034 C16344 heptanoate (7:0) 8094 C17714 hexadecadienoate (16:2n6) 13932172 hexadecanedioate (C16-DC) 10459 C19615 hexadecatrienoate (16:3n3) 91820460 hexadecenedioate (C16:1-DC)* 0 hexanoylglycine 99463 hippurate 464 C01586 histidine 6274 C00135 hydroxy-undecanedioate (OH-C11:0-DC)* 0 hyocholate 92805 C17649 hyodeoxycholate 5283820 C15517 indole-3-carboxylate 69867 C19837 indoleacetate 802 C00954 indoleacetylglycine 446640 indolelactate 92904 C02043 indolepropionylglycine 129691959 isobutyrylglycine 10855600 isohyodeoxycholate 5283822 isoleucylglycine 342532 isoursodeoxycholate sulfate (1) 0 isovalerate (i5:0) 10430 C08262 isovalerylglycine 546304 isoxanthohumol 513197 I-urobilinogen 9548718 C05789 kynurenate 3845 C01717 lactobacillic acid 656761 laurate (12:0) 3893 C02679 leu-val-val 23276203 linoleate (18:2n6) 5280450 C01595 linolenate [alpha or gamma; (18:3n3 or 6)] C06426,C06427 lithocholate 9903 C03990 malate 525 C00149,C00711,C00497 margarate (17:0) 10465 mead acid (20:3n9) 5312531 myristate (14:0) 11005 C06424 myristoleate (14:1n5) 5281119 C08322 N2-acetyllysine 92907 C12989 N2,N6-diacetyllysine 91827 N6-acetyllysine 92832 C02727 N6-carbamoylthreonyladenosine 161466 N6-succinyladenosine 165243 N-acetyl-3-methylhistidine* 193270 N-acetylaspartate (NAA) 65065 C01042 N-acetyl-aspartyl-glutamate (NAAG) 188803 C12270 N-acetyl-beta-glucosaminylamine 439454 C01239 N-acetylisoleucine 306109 N-acetylkynurenine (2) 73817779 N-acetylleucine 70912 C02710 N-acetylmethionine 448580 C02712 N-acetylmuramate 5462244 C02713 N-acetylphenylalanine 74839 C03519 N-acetylpyrraline 0 C01227 N-acetylsphingosine 5497136 C00195 N-acetyltaurine 159864 N-acetylthreonine 152204 N-acetyltryptophan C03137 N-acetyltyrosine 68310 N-acetylvaline 66789 N-arachidonoyltaurine 42607331 naringenin 932 C00509 naringenin 7-glucuronide 0 naringenin 7-O-glucoside 92794 C09099 N-butyryl-isoleucine 0 N-butyryl-leucine 0 N-butyryl-phenylalanine 0 N-carbamoylvaline 448879 N-delta-acetylornithine 9920500 C00437 N-formylkynurenine 910 C15605,C02406,C02700 N-formylmethionine 439750 C03145 N-formylphenylalanine nisinate (24:6n3) 11792612 N-lactoyl histidine 0 N-lactoyl isoleucine 0 N-lactoyl leucine 0 N-lactoyl phenylalanine 0 N-lactoyl tyrosine 0 N-lactoyl valine 0 N-linolenoyltaurine* 0 N-linoleoylglycine 6433346 N-linoleoylserine* 0 N-linoleoyltaurine* 52922081 N-myristoyltaurine* 3810823 N-oleoylalanine 44423663 N-oleoylserine 44190514 N-oleoyltaurine 6437033 nonadecanoate (19:0) 12591 C16535 N-palmitoleoyltaurine* 0 N-palmitoylglycine 151008 N-palmitoyltaurine 14504290 N-stearoyltaurine 168274 N-succinyl-isoleucine 4153270 N-succinyl-leucine 3467259 N-succinyl-phenylalanine 3131586 octadecanedioate (C18-DC) 70095 octadecenedioate (C18:1-DC) 9543674 oleate/vaccenate (18:1) C21944,C08367,C01712,C00712 oleoyl ethanolamide 5283454 O-sulfo-tyrosine 514186 oxalate (ethanedioate) 971 C00209 palmitate (16:0) 985 C00249 palmitoleate (16:1n7) 445638 C08362 p-cresol glucuronide* 154035 p-cresol sulfate 4615423 pentadecanoate (15:0) 13849 C16537 perfluorooctanesulfonate (PFOS) 74483 C18142 phenol glucuronide 87235 phenol sulfate 74426 C02180 phenylacetate 999 C07086 phenylacetylglycine 68144 C05598 phenylacetyltaurine 2179693 phenyllactate (PLA) 3848 C05607 p-hydroxybenzaldehyde 126 C00633 pinitol 164619 C03844 pregnenediol disulfate (C21H34O8S2)* 0 pregnenetriol disulfate* 0 pseudouridine 15047 C02067 pyridoxate 6723 C00847 pyroglutamylalanine* 159907 pyroglutamylvaline 152416 S-(3-hydroxypropyl)mercapturic acid (HPMA) 119083 S-adenosylhomocysteine (SAH) 439155 C00021 sebacate (C10-DC) 5192 C08277 sinapate 637775 C00482 soyasaponin I 122097 C08983 soyasaponin II 443614 C12081 soyasaponin III 21607811 C19865 stearate (18:0) 5281 C01530 stearidonate (18:4n3) 5312508 C16300 STVLT 0 sulfate* 5152822 C00059 syringic acid 10742 C10833 tartronate (hydroxymalonate) 45 C02287 taurochenodeoxycholate 387316 C05465 taurochenodeoxycholic acid (7 or 27)-sulfate 0 taurocholate C05122 taurocholenate sulfate* 0 taurodeoxycholate 2733768 C05463 taurodeoxycholic acid 3-sulfate 0 taurohyocholate* 11954195 C15516 taurohyodeoxycholic acid 12443252 taurolithocholate 439763 C02592 taurolithocholate 3-sulfate 440071 C03642 tauroursodeoxycholate 9848818 tauroursodeoxycholic acid sulfate (1) 0 tauroursodeoxycholic acid sulfate (2) 0 tetradecadienoate (14:2)* 5312409 tetradecanedioate (C14-DC) 13185 thymidine 5789 C00214 thymidine 5'-monophosphate 9700 C00364 thymine 1135 C00178 tyrosol 10393 C06044 tyrosylglycine 7021854 undecanedioate (C11-DC) 15816 undecanoate (11:0) 8180 C17715 uridine 6029 C00299 uridine-2',3'-cyclic monophosphate 439715 C02355 ursocholate 122340 C17644 ursodeoxycholate 31401 C07880 valerate (5:0) 7991 C00803 valerylglycine 4737557 val-val-ala 18232571 valylglycine 136487 vanillactate 160637 vanillate 8468 C06672 vanillic alcohol sulfate 0 vanillin 1183 C00755 vanillin sulfate 0 vanilloylglycine 3083688 xanthosine 64959 C01762 METABOLITES_END #END