#METABOLOMICS WORKBENCH jamiesop_20231022_164646 DATATRACK_ID:4411 STUDY_ID:ST002941 ANALYSIS_ID:AN004826 PROJECT_ID:PR001830 VERSION 1 CREATED_ON October 25, 2023, 4:57 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 analyses of microbial metabolites of xanthohumol 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 aim of this study was to quantify major microbial ST:STUDY_SUMMARY metabolites of xanthohumol. 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 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 27 #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. Metabolites were extracted with MTBE (3x with 200 uL) and organic SP:SAMPLEPREP_SUMMARY layers were combined and evaporated under gentle nitrogen stream before SP:SAMPLEPREP_SUMMARY reconstitution in 100 uL 50% methanol:water. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu LC CH:COLUMN_NAME Agilent ZORBAX 300SB C8 reversed phase column (2.1 x 50 mm, 3.5 µm) CH:SOLVENT_A water with 0.1% formic acid (v/v) CH:SOLVENT_B acetonitrile with 0.1% formic acid (v/v) CH:FLOW_GRADIENT from 0 to 0.5 min, 5% B; from 0.5 to 3 min, B increased to 100%; for 1 min, B CH:FLOW_GRADIENT was held at 100%; and following the column was allowed to re-equilibrate at 5% B CH:FLOW_GRADIENT for 2 min CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 4000 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS All metabolites were verified by matching m/z value, retention times, and MS:MS_COMMENTS product ions of SRM transitions with those of authenticated standards. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng/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 f_xn 0 173328.5307 122768.8801 116403.4482 39243.0323 0 73218.81689 85609.48638 147321.7309 101743.7041 12.8852976 92355.84396 117027.9755 112754.7175 104117.5015 47.22255672 0 0 449.2981797 90.26994591 285.5434287 57510.55352 83903.48191 46849.16511 52828.24066 67.85672058 824.0837215 76.25127975 510.4012103 49.00927198 269.5570086 709.2446177 149.8688596 106.891966 336.1505517 0 39.02071423 137.738572 0 0 45.6887791 61.98027579 107.4112634 71.21704763 0 13.47831922 93558.86718 142717.8828 148104.9434 136890.3944 58.3040045 40.37512286 0 107.2508604 0 479.0088034 137662.2365 162966.1039 228.1627518 21501.60583 0 0 0 283.972373 0 71.72788597 51947.4759 118338.5471 46539.25939 41236.37889 0 66886.14064 48298.03452 41577.71877 36977.37895 0 0 293.678776 0 0 0 0 0 72.2307422 29.23790451 76.62055506 0 0 0 0 0 0 0 0 0 75.61191558 40.82824096 22.64305473 57.06568165 77.2460858 0 56582.01766 94844.89188 47180.88362 104749.6997 15.00275745 64135.18108 58371.59769 90773.59143 74780.11279 141.9278915 0 0 436.4912072 119.8527333 51.0304288 80877.2303 66010.79728 87420.86701 108220.0406 0 75348.05474 68512.71204 61259.32108 175236.0051 11.96509946 47098.60723 146255.9387 128086.6463 77787.64965 36.48717417 92407.06977 156176.7569 76648.98782 107938.8002 f_ixn 0 21916.50393 7570.411862 4926.306114 13211.9376 0 15745.17008 17468.25479 27356.07883 21536.86069 3.898265276 13508.81817 31765.39485 27579.13659 34375.74363 0 0 1075.983909 42.72775966 0 1505.121075 24949.70506 10499.94938 17207.72658 4231.682062 182.5809146 2662.977083 1705.060851 3161.169542 110.5768718 308.7218976 197.6391891 215.2764138 520.6428042 884.9623361 0 0 0 0 0 0 0 0 0 0 10.78258807 29256.07234 36830.03905 27957.02106 29136.13004 0 0 0 0 0 4908.086481 18691.55763 12101.86755 131.9719961 1574.627797 0 0 0 193.078001 0 16.58494003 9908.825176 12791.57849 15731.98468 7878.021491 0 13927.04486 4075.393925 3711.901676 4748.75044 0 0 21.71594079 0 0 25.39961524 0 0 0 0 1062.792485 35.60900026 82.87071095 0 0 0 0 0 0 0 85.79025238 0 69.40555653 252.0253593 14.10383041 0 11570.63002 12598.59006 5649.114074 10963.25966 14.91745737 7652.915868 10339.53428 10872.81421 13232.10249 0 0 0 0 0 0 4048.280113 6176.906049 8786.30631 6610.304715 0 28283.76314 14526.8035 14797.81993 84167.79476 0 9500.435371 48241.11251 55188.82627 24619.77682 47.03367465 8162.414708 32109.70415 24493.08871 9564.978672 f_6pn 0 127.2135021 66.6468272 63.4374358 40.88685381 0 8.880850313 10.93403171 42.22614926 26.93517561 0 53.82474921 68.03249654 52.80509121 26.20171427 15.26263864 0 12.98430575 0 0 58.39964424 46.45059166 49.1137229 23.05616811 33.91041018 9.591210034 50.58566847 128.089227 66.51872264 0 44.61382994 388.5774568 30.29854961 31.756995 73.87778361 0 0 56.93929295 0 0 0 0 0 0 0 0 39.66965698 879.2717323 27.69330871 133.8224694 0 0 0 0 0 90.91179766 181.8954078 139.3115663 11.30186578 27.68790171 8.103776756 0 0 0 3.646799782 17.13436793 30.09500919 133.8415001 60.21657818 16.32435705 0 41.40723391 37.32253865 33.29256556 68.19708242 0 0 0 0 0 41.78727499 0 0 0 13.38541568 39.97788028 7.357519412 8.881457592 0 0 0 0 0 0 0 31.28193778 0 17.76362988 56.96132712 10.43183654 0 54.42259877 108.8043143 221.0613938 502.2927868 7.470972272 73.31197589 54.73096829 198.4842764 93.58853955 55.38736815 6.447151951 0 0 0 0 189.644779 112.1070594 73.89000543 77.62629677 0 77.81522759 67.97312123 217.0792639 241.9488126 0 12.64490633 30.88948661 45.48925152 37.06944492 4.527590088 37.10547152 38.75963178 4.527590088 25.01287057 f_8pn 0 10953.18833 10336.43376 1887.952049 2113.538384 0 45.44821582 287.5553684 465.0082802 119.7947688 0 4051.435039 1336.963 2835.469978 1297.425797 45.34674295 0 56.55932915 0 0 80.50435068 93.26736101 80.75269359 149.7991628 16.64612225 22.64262064 301.524119 253.1502171 166.4780576 97.62694331 342.6877335 2342.470152 317.0066098 70.60558988 221.9995177 0 0 69.36320406 0 12.92095205 0 0 0 0 0 0 316.8650245 958.3173176 197.1491565 297.9754478 0 0 0 0 0 268.5309753 2025.216084 220.784127 54.04062419 110.4215352 0 0 0 0 0 21.70656179 352.5507073 692.7996445 248.9706176 208.8702477 0 2691.91815 2321.723335 2312.061864 1384.897753 0 0 0 0 0 49.74746791 0 0 0 0 24.76714048 87.86943653 72.21796215 0 0 0 0 0 0 0 261.7578806 21.71370727 144.5440191 184.8249806 23.25222587 0 1424.661771 1189.624052 548.2029771 1545.816803 40.78064451 1004.558483 1134.873221 1693.323571 978.1618943 367.5606023 0 0 0 0 0 5174.924762 8015.634176 5718.899533 6133.680563 0 1515.134901 459.5341717 5876.885688 8015.166927 0 142.8767259 625.8146194 1022.377161 1324.822134 0 193.9646063 812.3450117 854.1948499 616.9492531 f_dxn 0 3155.265922 4615.001228 1410.423923 986.0363456 0 481.5114691 982.7753895 1488.185729 600.4985904 0 5864.212548 5337.751187 3050.368461 5217.373886 0 0 0 0 0 47.55313107 3491.056718 2917.586918 2558.096722 3576.237498 32.32176011 144.5941289 27.93187556 115.4847055 0 29.427135 150.8492347 0 0 0 0 0 17.58953386 0 0 0 0 0 0 0 0 2669.992317 3637.061099 1768.51801 2153.52004 0 0 0 0 0 36.28012652 4147.379482 2719.730314 62.26834983 198.1856813 0 0 0 0 0 15.09153901 6296.552136 4973.273981 1875.722924 1892.162379 0 1290.320781 1464.679881 744.4813363 1281.966049 0 0 0 0 0 0 0 0 0 0 14.56729081 0 0 0 0 0 0 0 0 0 16.84946927 0 0 0 0 0 2786.65145 3294.284324 1756.087257 4070.178358 0 844.2781982 959.9089755 1821.551604 1828.488276 40.44034494 0 0 0 0 0 901.8663587 1014.163652 667.9234501 994.2973156 0 1245.791409 723.0590042 1808.503843 3199.383761 0 687.165739 1868.909648 1926.44005 3271.449428 0 1889.119272 2575.722561 2217.736453 3019.063709 f_ddxn 0 2514.597166 1202.200715 241.4667697 599.8848632 8.828073347 5.473240332 54.62504937 62.26740272 31.7911995 8.226047041 624.586494 206.4828952 252.2325495 125.3836162 28.6726582 0 25.65036216 0 23.5959032 107.1840485 55.20422198 63.83275969 34.43600001 12.65054243 9.948509956 101.0832729 147.1530644 133.1659571 41.25500562 63.81300162 645.8205861 59.46267342 40.65422304 104.1087641 0 0 57.57929312 11.60052921 7.384175823 15.9142433 0 0 0 13.10166799 0 91.08098782 1237.553442 38.61249089 119.6192773 0 0 0 0 7.229390812 72.15127316 197.4520681 60.68714356 16.59101285 26.0579016 5.912252825 0 0 0 0 20.95257254 113.5632609 299.55783 86.68069763 40.23296064 5.442884218 372.2667542 286.9124856 165.1320672 146.5539403 0 0 0 0 0 50.87264171 0 0 0 20.99349995 9.559769795 0 14.9882951 0 0 0 0 0 0 0 184.1551695 12.25246146 106.9218829 126.3877271 9.201614939 12.20895213 835.7072228 637.060948 85.20498521 1008.000058 10.83398602 282.7119041 438.7220102 558.27833 268.2516008 151.4599761 9.966568727 0 0 0 0 951.6612103 1461.675426 644.9265755 853.1538528 21.67518022 578.1196505 284.0453273 1158.6667 2614.957415 0 25.59563909 36.09777111 96.34199739 49.33342938 7.068759964 82.0135749 131.6798029 117.0711175 134.3178445 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Full_name PubChem ID f_xn xanthohumol 639665 f_ixn isoxanthohumol 513197 f_6pn 6-prenylnaringenin 155094 f_8pn 8-prenylnaringenin 480764 f_dxn "alpha,beta-dihydroxanthohumol" 10450920 f_ddxn O-desmethyl-dihydroxanthohumol METABOLITES_END #END