#METABOLOMICS WORKBENCH jamiesop_20231022_173510 DATATRACK_ID:4412 STUDY_ID:ST002942 ANALYSIS_ID:AN004827 PROJECT_ID:PR001830 VERSION 1 CREATED_ON October 25, 2023, 5:00 pm #PROJECT PR:PROJECT_TITLE Targeted analyses of microbial metabolism for the XMaS clinical trial PR:PROJECT_SUMMARY The Xanthohumol microbiome and signature (XMaS) study in healthy adults was a PR:PROJECT_SUMMARY phase I, triple-masked, placebo-controlled clinical trial in healthy adults PR:PROJECT_SUMMARY investigating effects of a natural product supplement of gut microbiome PR:PROJECT_SUMMARY composition and metabolism. Xanthohumol, a flavonoid from the hops plant or PR:PROJECT_SUMMARY placebo was administered to 27 healthy adults daily for eight weeks. Fecal, PR:PROJECT_SUMMARY plasma, and 24-hr urine collections were obtained from participants at baseline PR:PROJECT_SUMMARY and 2-week intervals. The main objective was to examine clinical safety and PR:PROJECT_SUMMARY subjective tolerability of xanthohumol compared to placebo. Additional aims were PR:PROJECT_SUMMARY to monitor biomarkers of inflammation, gut permeability, bile acid metabolism, PR:PROJECT_SUMMARY short-chain fatty acids, and metabolism of xanthohumol. PR:INSTITUTE Oregon State University PR:LAST_NAME Jamieson PR:FIRST_NAME Paige PR:ADDRESS 307 LINUS PAULING SCIENCE CTR PR:EMAIL jamiesop@oregonstate.edu PR:PHONE 5417379804 #STUDY ST:STUDY_TITLE Targeted analysis of short chain fatty acids for the XMaS clinical trial. ST:STUDY_SUMMARY The Xanthohumol microbiome and signature (XMaS) study in healthy adults was a ST:STUDY_SUMMARY phase I, triple-masked, placebo-controlled clinical trial in healthy adults ST:STUDY_SUMMARY investigating effects of a natural product supplement of gut microbiome ST:STUDY_SUMMARY composition and metabolism. Xanthohumol, a flavonoid from the hops plant or ST:STUDY_SUMMARY placebo was administered to 27 healthy adults daily for eight weeks. Fecal, ST:STUDY_SUMMARY plasma, and 24-hr urine collections were obtained from participants at baseline ST:STUDY_SUMMARY and 2-week intervals. The main objective of this study was to quantify short ST:STUDY_SUMMARY chain fatty acids from fecal samples of particiapnts in the XMaS trail ST:INSTITUTE Oregon State University ST:LAST_NAME Jamieson ST:FIRST_NAME Paige ST:ADDRESS 307 LINUS PAULING SCIENCE CTR ST:EMAIL jamiesop@oregonstate.edu ST:PHONE 5417379804 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS XMaS101 s101-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS101 s101-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS101 s101-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS101 s101-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS101 s101-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS102 s102-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS102 s102-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS102 s102-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS102 s102-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS102 s102-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS103 s103-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS103 s103-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS103 s103-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS103 s103-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS103 s103-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS104 s104-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS104 s104-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS104 s104-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS104 s104-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS104 s104-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS105 s105-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS105 s105-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS105 s105-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS105 s105-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS105 s105-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS106 s106-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS106 s106-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS106 s106-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS106 s106-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS106 s106-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS107 s107-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS107 s107-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS107 s107-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS107 s107-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS107 s107-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS109 s109-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS109 s109-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS109 s109-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS109 s109-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS109 s109-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS110 s110-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS110 s110-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS110 s110-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS110 s110-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS110 s110-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS111 s111-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS111 s111-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS111 s111-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS111 s111-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS111 s111-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS112 s112-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS112 s112-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS112 s112-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS112 s112-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS112 s112-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS113 s113-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS113 s113-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS113 s113-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS113 s113-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS113 s113-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS114 s114-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS114 s114-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS114 s114-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS114 s114-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS114 s114-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS115 s115-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS115 s115-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS115 s115-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS115 s115-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS115 s115-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS116 s116-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS116 s116-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS116 s116-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS116 s116-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS116 s116-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS117 s117-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS117 s117-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS117 s117-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS117 s117-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS117 s117-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS118 s118-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS118 s118-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS118 s118-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS118 s118-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS118 s118-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS119 s119-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS119 s119-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS119 s119-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS119 s119-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS119 s119-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS121 s121-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS121 s121-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS121 s121-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS121 s121-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS121 s121-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS122 s122-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS122 s122-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS122 s122-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS122 s122-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS122 s122-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS123 s123-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS123 s123-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS123 s123-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS123 s123-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS123 s123-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS124 s124-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS124 s124-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS124 s124-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS124 s124-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS124 s124-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS126 s126-1 time_weeks:0 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS126 s126-2 time_weeks:2 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS126 s126-3 time_weeks:4 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS126 s126-4 time_weeks:6 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS126 s126-5 time_weeks:8 | intervention:control SUBJECT_SAMPLE_FACTORS XMaS127 s127-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS127 s127-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS127 s127-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS127 s127-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS127 s127-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS129 s129-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS129 s129-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS129 s129-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS129 s129-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS129 s129-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS130 s130-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS130 s130-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS130 s130-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS130 s130-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS130 s130-5 time_weeks:8 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS131 s131-1 time_weeks:0 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS131 s131-2 time_weeks:2 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS131 s131-3 time_weeks:4 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS131 s131-4 time_weeks:6 | intervention:treated SUBJECT_SAMPLE_FACTORS XMaS131 s131-5 time_weeks:8 | intervention:treated #COLLECTION CO:COLLECTION_SUMMARY Fecal samples were collected longitudinally at 2-week intervals during the CO:COLLECTION_SUMMARY 8-week study. Samples were kept on ice immediately after collection and CO:COLLECTION_SUMMARY snap-frozen, then stored in -80 freezers until processing. CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY Participants were randomly allocated to intervention arms to receive either 24 TR:TREATMENT_SUMMARY mg or a rice protein placebo capsule daily for 8 weeks. Clinic check-in and TR:TREATMENT_SUMMARY sample collections occurred at baseline and 2-week intervals until study TR:TREATMENT_SUMMARY close-out (week 8). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Fecal samples were dried using vacuum desiccator and 70% methanol:water (1:4 SP:SAMPLEPREP_SUMMARY w/v) was added for fecal homogenate. Samples were centrifuged and supernatant SP:SAMPLEPREP_SUMMARY was collected. Supernatant was diluted 1:5 in 50% acetonitrile:water and short SP:SAMPLEPREP_SUMMARY chain fatty acids were derivatized with 3-nitrophenylhydrazine for better SP:SAMPLEPREP_SUMMARY resolution by LC-MS. Briefly, 40 uL of fecal supernatant was added to 20 uL 120 SP:SAMPLEPREP_SUMMARY mM EDC, 20 uL 6% pyridine, and 20 uL 200 mM 3-NPH. The mixture was allowed to SP:SAMPLEPREP_SUMMARY react for 30 min at 40 °C and subsequently diluted 1:200 in 10% SP:SAMPLEPREP_SUMMARY acetonitrile:water. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A water with 0.01% formic acid CH:SOLVENT_B acetonitrile with 0.01% formic acid CH:FLOW_GRADIENT from 0 to 2 min, 15% B; from 2 to 11 min 15-55% B; from 11 to 12 min, 100% B; CH:FLOW_GRADIENT from 12 to 12.5 min, 100-15% B; and from 12.5 to 15 min, 15% B CH:FLOW_RATE 0.35 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Waters Xevo TQ-XS MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Metabolites (acetate, propionate, butyrate, lactate, valerate) were verified by MS:MS_COMMENTS matching m/z value, retention times, and product ions of SRM transitions with MS:MS_COMMENTS those of authenticated standards. TargetLynx Application Manager was used for MS:MS_COMMENTS data processing. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS mg/g MS_METABOLITE_DATA_START Samples s101-1 s101-2 s101-3 s101-4 s101-5 s102-1 s102-2 s102-3 s102-4 s102-5 s103-1 s103-2 s103-3 s103-4 s103-5 s104-1 s104-2 s104-3 s104-4 s104-5 s105-1 s105-2 s105-3 s105-4 s105-5 s106-1 s106-2 s106-3 s106-4 s106-5 s107-1 s107-2 s107-3 s107-4 s107-5 s109-1 s109-2 s109-3 s109-4 s109-5 s110-1 s110-2 s110-3 s110-4 s110-5 s111-1 s111-2 s111-3 s111-4 s111-5 s112-1 s112-2 s112-3 s112-4 s112-5 s113-1 s113-2 s113-3 s113-4 s113-5 s114-1 s114-2 s114-3 s114-4 s114-5 s115-1 s115-2 s115-3 s115-4 s115-5 s116-1 s116-2 s116-3 s116-4 s116-5 s117-1 s117-2 s117-3 s117-4 s117-5 s118-1 s118-2 s118-3 s118-4 s118-5 s119-1 s119-2 s119-3 s119-4 s119-5 s121-1 s121-2 s121-3 s121-4 s121-5 s122-1 s122-2 s122-3 s122-4 s122-5 s123-1 s123-2 s123-3 s123-4 s123-5 s124-1 s124-2 s124-3 s124-4 s124-5 s126-1 s126-2 s126-3 s126-4 s126-5 s127-1 s127-2 s127-3 s127-4 s127-5 s129-1 s129-2 s129-3 s129-4 s129-5 s130-1 s130-2 s130-3 s130-4 s130-5 s131-1 s131-2 s131-3 s131-4 s131-5 Factors time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:control time_weeks:2 | intervention:control time_weeks:4 | intervention:control time_weeks:6 | intervention:control time_weeks:8 | intervention:control time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated time_weeks:0 | intervention:treated time_weeks:2 | intervention:treated time_weeks:4 | intervention:treated time_weeks:6 | intervention:treated time_weeks:8 | intervention:treated acetic 1.97808 1.46388 2.5818 3.45756 3.89976 6.90516 5.07768 15.13992 10.18368 5.3148 2.27136 3.1476 5.05524 2.22672 2.60544 8.94096 2.38944 4.296 3.3738 3.78192 2.58264 4.08444 2.48232 2.6088 1.84656 4.48572 6.17028 9.52596 2.10828 4.8822 2.00508 1.78896 2.1168 1.1214 2.27244 7.84872 13.33368 7.25196 9.75312 5.59632 2.70768 1.6338 2.14572 1.0104 1.44588 6.24336 6.71196 6.84552 6.07416 6.82752 2.6796 3.98244 2.76432 5.5506 2.88912 4.45584 5.0142 4.9824 2.82072 2.02872 2.02692 1.52412 3.09852 3.29664 6.99276 2.31192 1.42752 1.5222 20.66772 9.6402 1.5642 2.69364 1.58028 3.54228 4.46052 1.431 2.76924 5.91252 6.40632 5.24544 2.75268 6.00684 2.394 0.75804 4.83384 3.07188 15.63804 11.6868 6.85296 10.47876 15.3786 2.43792 2.14572 2.93676 2.82744 3.28392 5.56416 2.1228 4.38948 0.94032 1.8012 2.51172 1.14816 0.16704 2.13744 1.51044 2.13564 3.72984 6.25776 3.44172 0.62376 0.62652 0.52968 1.17168 1.10052 3.15516 3.45696 6.4182 4.82604 6.97392 2.19504 1.50204 2.29128 2.56752 1.75404 2.44296 3.49464 3.12252 3.18696 3.06624 4.77444 4.06728 5.751 1.50156 1.7832 propionic 0.75930975 0.582112782 1.072960236 1.319050674 1.950944544 2.262520818 2.671436898 4.211242992 2.10680676 1.164966354 1.060366806 1.333866474 1.531805562 1.028660994 1.258898526 2.880487836 1.36897992 2.642249772 1.713743586 1.909608462 1.762487568 1.599513768 1.440984708 1.49935896 1.490617638 1.493284482 1.746486504 2.824484112 0.71930709 1.053847854 0.952804098 0.671748372 0.745382898 0.453215322 0.863316666 4.283099622 6.432575886 2.862264402 4.036416552 2.817520686 0.928061712 0.930284082 0.636190452 0.34224498 0.415286874 1.556547948 1.895533452 1.70085384 2.280596094 1.545584256 0.875169306 1.288826442 0.957693312 1.867383432 0.973546218 2.325043494 1.377573084 1.506470544 1.18378242 1.062589176 1.085553666 0.7333821 1.052514432 1.504248174 1.058144436 0.925691184 0.744790266 0.666562842 4.652753832 1.466616042 0.642116772 0.767162124 0.612040698 1.26971406 1.241860356 0.964064106 1.734041232 4.36695705 3.91211199 2.516611788 1.299641976 2.19866472 1.083183138 0.476624286 1.588698234 0.506552202 4.732018362 4.242059856 3.478453524 1.918349784 11.77515337 1.45417077 0.657673362 0.846130338 1.498470012 0.739012104 1.35860886 0.893837214 0.677378376 0.529368534 0.541665648 0.857538504 0.346393404 0.043854768 0.675156006 0.392766858 0.8222769 1.307642508 1.52232345 0.904652748 0.2148291 0.153491688 0.336466818 0.970286742 0.419583456 0.762421068 1.163632932 1.653739596 1.374017292 1.635960636 1.145409498 0.744197634 1.118889216 1.703372526 0.898133796 0.764050806 1.000659132 1.031031522 1.14600213 1.055773908 0.766273176 0.819461898 1.41935364 0.680193378 0.643153878 butyric 0.88651251 0.89091776 1.51681568 1.3797243 1.29355761 4.4598751 2.14729506 11.32096387 6.3523705 3.23222003 0.581493 1.40051708 1.96086488 0.59259423 1.07276648 3.72261246 2.09355101 1.82165898 2.33337282 1.58959041 1.46694825 2.14940958 0.96052071 1.30324916 0.69338635 1.79522748 2.49918643 4.65934482 0.41374108 1.93901484 1.04985918 0.55788086 0.97320783 0.26449121 1.10448428 3.45706399 4.52736353 2.907465 3.96102459 3.29847499 1.12510085 0.82149102 0.81655714 0.22272944 0.50448923 3.97741212 3.0167152 4.04313845 4.64154761 3.9717734 0.60387167 1.22871233 0.85884754 1.66747523 0.83541161 1.77284881 1.68738696 1.98747259 0.91294401 0.54854173 1.6334667 0.86942014 1.35628837 2.33020104 3.00896196 1.16562915 0.5092469 1.01514581 10.83444806 3.35750534 0.65285805 1.58025128 0.63400358 2.63927338 2.17073099 0.68475206 1.82976464 2.60403138 2.47980333 2.08703124 1.00052038 2.36015674 0.94360455 0.35893977 1.42800584 1.69654988 10.59286415 8.72133774 4.84295564 4.71943243 3.99679522 0.89972826 0.48598718 0.6061624 0.79717404 1.88949983 2.96702398 0.88950808 1.72527211 0.45726495 0.4352387 0.87699717 0.22942542 0.11735586 0.52351991 0.34572402 0.80862769 1.49901847 1.56051576 1.35399764 0.14079179 0.12546152 0.14942608 0.45250728 0.18942575 1.72650558 1.46219058 4.16771892 2.1409515 4.17106691 0.73320981 0.54995141 0.82431038 1.10272218 0.52052434 1.46465752 1.797342 1.3585791 1.2933814 0.66695485 2.80561562 1.28562816 2.87257542 0.94589528 0.87294434 lactic 0.01135008 0 0.03134784 0.63056 0.22501984 0.60966144 2.42369248 0.65434112 0.23492864 1.22923168 0.00504448 0.14070496 0.0567504 0 0.00738656 1.43713632 0.04197728 0.02360096 0.04576064 0.04431936 0.0234208 0.10124992 0.0522464 0.0099088 0.0063056 0.05512896 0.33978176 0.99015936 0.0126112 1.90212928 0 0.02990656 0 0.00432384 0.00828736 0.23078496 3.64445664 0.03260896 0.46463264 0.29942592 0.14304704 0.04558048 0 0.00288256 0.01135008 1.30543936 0.2414144 0.36410336 0.35077152 0.2261008 0.09404352 0.00432384 0 0.00846752 0.0018016 1.61027008 0.02954624 0.01044928 0.00954848 0.01585408 0.02017792 0.08161248 0.00504448 0.06756 6.22975264 0.01567392 0.02630336 0.076568 2.79356096 20.64579552 0.06197504 0.08845856 0 0.1053936 0.62713696 0.30915456 0.07260448 1.2917472 0.90998816 3.78462112 0.37905664 1.57333728 0.45616512 0.12665248 0.274744 1.45226976 0.14989312 0.30212832 0.21330944 0.8116208 1.93095488 0.36248192 0.08089184 0.24970176 0.1243104 0.50066464 0.41634976 0.52822912 2.224976 0.00468416 0.0072064 0 0.02720416 0.01459296 0.0126112 0.0657584 0.12034688 0.16340512 2.3033456 1.75962272 0.00594528 0.06756 0.11187936 0.009008 0.30555136 1.23427616 0.3531136 0.35635648 0.43166336 5.05474912 0.66641184 0.18718624 0.19169024 0.05548928 0.20249984 0.37797568 0.8800816 1.58252544 0.38482176 0.73199008 0.37815584 1.0079952 0.3441056 0.18772672 0.21114752 valeric 0.19956202 0.18056584 0.26921468 0.17954454 0.19322996 0.2920918 0.35091868 0.30455166 0.1817914 0.15605464 0.13562864 0.22080506 0.18219992 0.10744076 0.1685145 0.23735012 0.2788149 0.1542163 0.22427748 0.32293506 0.21692412 0.183834 0.20426 0.17321248 0.1746423 0.16606338 0.35071442 0.30067072 0.13215622 0.11295578 0.2665593 0.20303444 0.2798362 0.07618898 0.18730642 0.39973682 0.53189304 0.35357406 0.49267512 0.32456914 0.25409944 0.23163084 0.19425126 0.06168652 0.12827528 0.2154943 0.17484656 0.23816716 0.18975754 0.15687168 0.17586786 0.29944516 0.18832772 0.34029716 0.21610708 0.24163958 0.3002622 0.41485206 0.03799236 0.06720154 0.27493396 0.11561116 0.18669364 0.37828952 0.18608086 0.21529004 0.13113492 0.13093066 0.94245564 0.20854946 0.11765376 0.14890554 0.11928784 0.17505082 0.14134792 0.07741454 0.25266962 0.1930257 0.05658002 0.0990661 0.12643694 0.13848828 0.08149974 0.0674058 0.08864884 0.02226434 0.71858668 0.30312184 0.56314482 0.13664994 1.31788552 0.30393888 0.11275152 0.17014858 0.35970186 0.15564612 0.27758934 0.14645442 0.17239544 0.0949809 0.1154069 0.19935776 0.0827253 0.04534572 0.14645442 0.08435938 0.11724524 0.22795416 0.16218244 0.1480885 0.040852 0.03921792 0.05882688 0.13399456 0.06148226 0.15033536 0.16524634 0.27391266 0.22713712 0.21222614 0.26022724 0.1858766 0.28106176 0.35051016 0.17402952 0.11765376 0.18730642 0.13522012 0.19854072 0.16279522 0.10355982 0.11295578 0.18934902 0.16013984 0.11990062 isobutyric 0.43664838 0.33197964 0.52440096 0.16546119 0.21250926 0.16281804 0.31400622 0.19242132 0.10096833 0.10784052 0.24422706 0.30449088 0.32968891 0.25603313 0.30325741 0.14202526 0.52633927 0.06290697 0.31206791 0.55012762 0.35929219 0.31946873 0.36704543 0.29127513 0.51435699 0.27647349 0.5621099 0.24510811 0.30290499 0.10184938 0.47876257 0.36880753 0.66061129 0.21797177 0.264315 0.20704675 0.44263952 0.49849809 0.45303591 0.26501984 0.27876422 0.34396192 0.264315 0.15136439 0.24968957 0.06995537 0.17585758 0.1162986 0.16863297 0.11048367 0.36722164 0.49497389 0.41162656 0.90677666 0.55312319 0.22096734 0.6942674 0.97056468 0.30466709 0.19471205 0.49109727 0.23647382 0.31083444 0.69373877 0.14114421 0.46360851 0.30220015 0.1621132 0.56510547 0.0951534 0.29515175 0.31030581 0.30854371 0.317178 0.35717767 0.11295061 0.4651944 0.19964593 0.03365611 0.06907432 0.21709072 0.25867628 0.12986677 0.13462444 0.31999736 0.00105726 0.19647415 0.11312682 0.51206626 0.052863 0.57479702 0.15118818 0.18836849 0.15435996 0.27347792 0.15400754 0.23911697 0.26061459 0.12546152 0.18731123 0.29620901 0.49303558 0.2132141 0.18114388 0.48228677 0.20598949 0.25321377 0.33356553 0.2660771 0.10819294 0.06925053 0.0722461 0.13603412 0.34237603 0.14889745 0.21109958 0.299557 0.18625397 0.31224412 0.15717932 0.30819129 0.32916028 0.36880753 0.59647085 0.28563641 0.12281837 0.15559343 0.21427136 0.16528498 0.28140737 0.06819327 0.08933847 0.21991008 0.21761935 0.18413945 2-methylbutyric 0.6158439 0.5535446 0.72267188 0.21896672 0.24368218 0.16606338 0.38441732 0.21426874 0.12276026 0.1174495 0.34540366 0.39503884 0.37869804 0.34846756 0.41444354 0.1041726 0.80315032 0.03390716 0.38114916 0.69366696 0.53556972 0.52331412 0.56191926 0.41342224 0.67630486 0.34908034 0.78783082 0.24899294 0.3707319 0.12827528 0.73268062 0.55926388 1.05010066 0.3360077 0.38278324 0.26533374 0.46019778 0.67977728 0.602567 0.39789848 0.37338728 0.47265764 0.33437362 0.2103878 0.31639874 0.1143856 0.25593778 0.16790172 0.26308688 0.1286838 0.51391816 0.65342774 0.63055062 1.3399456 0.77945616 0.2583889 1.00986144 1.38876374 0.26288262 0.22427748 0.7516768 0.3737958 0.45427424 0.97309464 0.21365596 0.63075488 0.4146478 0.22284766 0.56110222 0.09641072 0.41505632 0.45100608 0.42322672 0.41628188 0.55129774 0.13419882 0.60399682 0.31884986 0.04820536 0.07210378 0.28575974 0.31435614 0.14134792 0.21386022 0.4789897 0.0112343 0.1848553 0.13910106 0.69080732 0.07414638 0.49900718 0.18955328 0.23653308 0.25491648 0.43037582 0.23101806 0.29270458 0.39360902 0.19751942 0.2900492 0.45223164 0.69407548 0.32313932 0.26839764 0.74738734 0.31884986 0.35357406 0.45835944 0.49247086 0.17382526 0.10458112 0.11704098 0.17729768 0.37706396 0.2328564 0.337029 0.44446976 0.27963194 0.48082804 0.22243914 0.4452868 0.47429172 0.5811197 0.79988216 0.45978926 0.1909831 0.20916224 0.30005794 0.22448174 0.33273954 0.09375534 0.13093066 0.296177 0.32497766 0.30189628 isovaleric 0.42506506 0.3768597 0.53577398 0.18301696 0.20078758 0.14441182 0.22489026 0.17484656 0.0827253 0.08047844 0.24041402 0.28964068 0.26022724 0.2175369 0.26615078 0.13317752 0.50676906 0.05882688 0.25818464 0.52658228 0.35704648 0.28678104 0.35500388 0.25389518 0.45488702 0.23244788 0.55946814 0.22141784 0.25287388 0.10335556 0.51350964 0.439159 0.73451896 0.24858442 0.24838016 0.19465978 0.38768548 0.44957626 0.4320099 0.24082254 0.28371714 0.34029716 0.2594102 0.13807976 0.21998802 0.08435938 0.16606338 0.11091318 0.15605464 0.09457238 0.37400006 0.388094 0.4136265 0.80846108 0.50738184 0.18362974 0.63749546 0.96941796 0.1991535 0.1419607 0.47102356 0.21671986 0.28821086 0.63565712 0.1572802 0.39871552 0.26778486 0.14441182 0.50574776 0.07516768 0.25552926 0.27350414 0.26329114 0.23918846 0.30618574 0.09109996 0.37645118 0.1868979 0.03043474 0.06965266 0.1858766 0.18546808 0.09641072 0.12133044 0.23449048 0.0091917 0.14584164 0.07189952 0.40382202 0.05964392 0.5811197 0.1460459 0.14767998 0.1603441 0.27227858 0.15707594 0.1920044 0.24592904 0.14522886 0.183834 0.29883238 0.47613006 0.22407322 0.16974006 0.48736436 0.21590282 0.2277499 0.30271332 0.30496018 0.12684546 0.06475042 0.07700602 0.10172148 0.20711964 0.13971384 0.21569856 0.24756312 0.17035284 0.2931131 0.1470672 0.29495144 0.32089246 0.37011912 0.5137139 0.35459536 0.11213874 0.12847954 0.18567234 0.13950958 0.20814094 0.07087822 0.1011087 0.21631134 0.21100058 0.19159588 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem ID acetic 176 propionic 1032 butyric 264 lactic 107689 valeric 7991 isobutyric 6590 2-methylbutyric 8314 isovaleric 10430 METABOLITES_END #END