BMJ Publishing Group Limited (BMJ) disclaims all liability and responsibility arising from any reliance Supplemental material placed on this supplemental material which has been supplied by the author(s) Gut Table S2. List of colorectal abnormal associated metabolites Metabolite feature Metabolite annotation approach F_meanN F_meanC F_meanA anova_nc_adj anova_na_adj anova_ca_adj F_cvNp_raw_log2F_cvCp_raw_log2 F_fc_nc_raw F_fc_na_raw F_fc_ac_raw X10.3_339.237mz_pos (-)-Folicanthine exact mass match 7748.846605 5053.536056 5527.387681 0.00000527 7.36E-08 0.016360165 1.066485107 3.045501184 0.732979425 0.686815097 1.067215076 X12.4_340.269mz_pos (-)-Ormosanine exact mass match 45226.06503 31316.75757 27721.72218 0.00000798 0.0000327 0.374105369 0.82512597 0.830862497 0.687636808 0.562694393 1.222043114 X10.9_313.166mz_neg (-)-trans-Carveol glucosideexact mass match 364.3974089 8542.0151 9965.786895 0.002652316 0.000960176 0.295523934 7.802344415 1.555479803 8.146636736 8.049968526 1.01200852 X15_265.108mz_neg (+)-2,5-epi Goniothalesdiolexact mass match 32595.35307 22986.25282 25975.3202 0.001250629 0.001302286 0.43224324 1.276557314 2.675216985 0.752619218 0.720752853 1.04421261 X20.8_388.119mz_neg (+/-)-6-Acetonyldihydrosaexact mass match 6812.396901 10133.51548 3573.206732 0.004217867 0.0002535 0.116465099 6.234319405 7.015515802 1.484891164 0.526968596 2.817798206 X12.5_321.241mz_pos (±)15-HETE exact mass match 11931.10675 8063.355578 8309.938888 3.99E-10 3.99E-10 0.00389225 1.0537419 2.554831014 0.707014986 0.657446626 1.075395262 X14.9_265.108mz_neg (±)-Goniothalesdiol exact mass match 24851.58866 16540.4257 15696.90897 0.002211296 0.000178788 0.127514798 0.650486116 0.819995262 0.718165912 0.582429257 1.233052604 X15.1_333.226mz_pos (±)-Pandamarine exact mass match 78154.92166 37693.09503 61456.22917 0.00000158 0.000472756 0.950049258 1.398514317 1.360676174 0.471657455 0.682169628 0.691407878 X24_357.235mz_neg (1S)-1-hydroxy-23-oxo-24exact mass match 2067.046116 6783.212071 10613.37145 0.00000682 0.00010632 0.584324567 2.877609538 13.07421455 2.452112148 3.00547459 0.815881843 X20.7_645.438mz_pos (20R)-Ginsenoside Rh2 exact mass match 19519.16483 12756.37371 12327.32875 4.39E-10 4.01E-10 0.003733196 1.465309488 2.612138841 0.666444891 0.589918254 1.129724137 X11_428.321mz_pos (22E)-1α-hydroxy-24-oxo-26,27-cyclo-22,23-didehydrovitaminexact mass match 97120.90614 D3 72845.20464/ (22E)-1α-hydroxy-24-oxo-26,27-cyclo-22,23-didehydrocholecalciferol 62220.94605 3.99E-10 3.99E-10 0.0064595 0.841975269 0.930335036 0.716145838 0.559366987 1.280279057 X12.4_546.383mz_pos (22S)-Acetoxy-3alpha,15alpexact mass match 9231.270141 6429.061705 6092.236396 0.0000161 0.0000601 0.397096351 1.227501645 3.258940702 0.743957672 0.630497745 1.179952946 X18.7_445.296mz_neg (23S,25R)-1α,25-dihydroxyvitaminexact mass D3 match26,23-lactol / (23S,25R)-1α,25-dihy 19031.02292 32357.61626droxycholecalciferol 37626.34194 26,23-lactol 0.0000078 0.001813676 0.985522683 0.507675713 0.769683063 1.729323187 1.728930055 1.000227384 X4.8_524.344mz_pos (25R)-3alpha,7alpha-dihydrexact mass match 42278.66705 14322.95252 13266.55609 0.000000306 0.000571753 0.999569714 1.459558199 4.480875598 0.342545041 0.286060852 1.197455154 X9_530.336mz_pos (25S)-11alpha,20,26-trihydrexact mass match 38023.71975 26906.34985 25382.98412 3.99E-10 4E-10 0.022765966 0.916553919 2.051186976 0.708744036 0.614803877 1.152796954 X12.2_502.357mz_pos (25S)-3-oxo-12beta-acetoxyexact mass match 31958.1137 23103.82901 21531.79709 4.03E-10 3.99E-10 0.003719973 0.682227397 1.154315774 0.722037656 0.619163391 1.166150433 X11.6_286.201mz_pos (2E)-octenoylcarnitine MS/MS spectrum match 13453.00627 33364.91448 33905.72166 0.000017 0.002253687 0.971075742 4.188632551 2.955775791 2.306003701 2.18233241 1.056669318 X20.3_715.487mz_pos (2'S)-Deoxymyxol 2'-α-L-fucosideexact mass match 7748.409131 5609.9888 3555.197895 0.0000691 0.00000981 0.104453542 4.288444982 7.967021716 0.788635377 0.463329937 1.702103218 X18.1_587.394mz_pos (3b,16a,21b,22a)-12-Oleanexact mass match 10628.13143 7185.808936 5500.136528 0.00000153 1.32E-08 0.009300059 4.374952618 5.498801314 0.718968946 0.50677689 1.418709022 X12.2_364.232mz_pos (3S,4S)-3-hydroxytetradecexact mass match 15772.88487 35269.11483 37464.98325 0.00000016 0.000855232 0.964062627 7.835010397 3.687203575 2.089298558 2.068529643 1.010040424 X10.7_400.29mz_pos (3S,5R,6R)-3,5-dihydroxy-6exact mass match 21795.06161 12037.97684 12218.58863 0.000342243 0.00000602 0.037985192 1.595370636 2.189918456 0.5725328 0.5305283 1.079174853 X13_421.295mz_pos (4R,4aS,6aS,8R,9R,11aR,11bSexact mass match 11934.10061 8360.047954 6466.344251 4.19E-10 1.65E-09 0.183096218 1.699455832 2.957412625 0.730073449 0.522233108 1.397983848 X14.7_442.337mz_pos (5E)-(24R)-24,25-dihydroxyexact mass match 49108.46688 36348.05832 29371.42209 4.11E-10 5.26E-08 0.684818542 1.027109275 1.550868479 0.727598766 0.547509065 1.328925515 X22.2_445.311mz_pos (6R)-6-methylvitamin D3 6exact mass match 4926.046547 2706.184577 3686.166487 6.53E-08 0.0000379 0.872966193 2.26998756 12.96484117 0.689016018 0.705749569 0.976289676 X25.6_449.311mz_pos (6R)-vitamin D3 6,19-sulfuexact mass match 12298.18161 7151.685256 9522.914069 4.2E-10 0.0000248 0.801573237 8.812450938 14.90745789 0.618853611 0.718597583 0.861196343 X27.8_353.212mz_neg (E)-2-(4,8-dimethylnona-3MS/MS spectrum match 148979.4135 661207.0536 1133916.741 3.99E-10 3.99E-10 0.134267366 1.84115847 2.063421286 4.322471299 6.715949892 0.643612798 X15.8_555.713mz_pos (Galβ1-4[Fucα1-3]GlcNAcβ)2-Spexact mass match 6637.175039 4303.392169 2880.885392 0.000108407 4.14E-10 0.00000233 7.311820369 14.74482608 0.741581349 0.443439817 1.672338207 X15.8_511.018mz_pos (N-Sulfoindol-3-yl)methylgexact mass match 29186.40004 22499.90694 18837.38392 3.6E-09 1.38E-09 0.02828573 0.807437688 1.75709615 0.768422291 0.59427491 1.293041786 X19.1_542.03mz_pos (R)-AM1241 exact mass match 13839.90492 10689.70452 11501.07819 0.000187398 0.0000275 0.124521706 1.540117563 1.51315139 0.791771246 0.776948566 1.01907807 X10.3_505.194mz_pos (S)-Multifidol 2-[apiosyl-(1exact mass match 10268.06979 14535.29099 8224.276358 0.0000304 0.0000435 0.292377603 3.615316308 4.012332721 1.382979398 0.743269311 1.860670657 X17.5_470.368mz_pos (Z)-2-pentacos-16-enamidexact mass match 1541720.215 1112842.585 1113302.922 4.17E-10 6.75E-08 0.685039559 0.869028884 1.211919695 0.665229088 0.654200409 1.016858258 X15.7_456.352mz_pos (Z)-2-tetracos-15-enamidexact mass match 914827.0994 669049.7222 578207.027 3.99E-10 3.99E-10 0.032418565 0.418785076 0.873093345 0.66058611 0.539320574 1.224848712 X14.3_329.233mz_neg (Z)-5,8,11-trihydroxyoctadeMS/MS spectrum match 23391.65438 4700.138831 6893.331033 3.99E-10 4.06E-10 0.998593315 0.734687355 2.734289476 0.264405313 0.298388796 0.886110057 X26.3_514.705mz_pos [des-Gly-NH29, Arg8]-Vasexact mass match 58954.23862 47623.94754 31991.28776 1.72E-09 3.99E-10 0.00000488 0.887991852 2.109944 0.786544048 0.494575448 1.590341881 X7.4_461.196mz_pos {6-Acetoxy-7-(chloromethexact mass match 12066.52463 17821.67127 7037.00706 0.00000921 5.19E-09 0.001743429 12.56187005 8.351417788 1.436937087 0.553086768 2.598031938 X22.1_471.004mz_pos 1-(2,4-Dichlorophenyl)-2-exact mass match 56381.39632 44502.78039 30959.61396 4.14E-10 3.99E-10 0.000657242 0.969642274 1.655607854 0.769882315 0.50166789 1.534645392 X26.2_848.629mz_pos 1-(2E,6E-phytadienyl)-2-(2exact mass match 391197.9318 272991.3841 220232.0235 3.99E-10 3.99E-10 0.001260118 0.321296523 1.59319371 0.651961453 0.484717969 1.345032564 X7.2_744.501mz_pos 1-(6-[5]-ladderane-hexanoyexact mass match 58212.88359 20344.06023 16941.07618 5.8E-10 0.000000293 0.688047446 1.116039125 2.349430668 0.35885376 0.269034778 1.333856397 X16.7_778.551mz_pos 1-(8-[5]-ladderane-octanoyexact mass match 284763.3151 198505.2832 176867.2336 3.99E-10 3.99E-10 0.006982728 0.295853122 1.130526924 0.645267598 0.539044479 1.197058171 X16.5_822.578mz_pos 1-(8-[5]-ladderane-octanyexact mass match 33376.57516 22110.9712 19406.84485 3.99E-10 3.99E-10 0.013617049 0.303285778 1.504875559 0.668207154 0.539273705 1.239087217 X22.9_715.519mz_pos 1-(O-alpha-D-glucopyranexact mass match 50245.21063 38147.52833 36806.61214 1.61E-09 1.64E-09 0.047439362 1.84759725 1.955617727 0.737649139 0.654686491 1.126721185 X17.9_775.54mz_pos 1,2 di-(9Z,12Z,15Z-octadeexact mass match 89183.85876 60018.2244 69117.56912 3.99E-10 3.99E-10 0.001776808 1.414861814 1.385130578 0.639182096 0.670567659 0.95319553 X15.9_447.806mz_pos 1,2,3,4,6,7,8-Heptachlorodexact mass match 7098.001182 4970.489235 5209.674882 0.000000106 1.97E-09 0.008199487 0.761805982 4.028440188 0.782156344 0.704316829 1.110517756 X6.8_326.253mz_pos 1,2,3-Tris(1-ethoxyethoxy)exact mass match 143458.3827 101128.6631 91529.16404 3.99E-10 4E-10 0.211597027 1.193022627 1.488043386 0.663452782 0.550567111 1.20503526 X8.6_208.073mz_pos 1,2,4-Triazolo[4,3-a]pyridinexact mass match 15083.93153 8850.525113 11917.94535 0.000259009 0.001530194 0.662066759 2.190461061 2.322421687 0.629665027 0.704246466 0.894097531 X20.1_723.486mz_pos 1,26-Dicaffeoylhexacosaneexact mass match 176311.9344 121292.8809 156319.0252 3.99E-10 3.99E-10 0.077374897 1.727010774 2.550051883 0.643955358 0.769519291 0.836828089 X28.5_150.002mz_neg 1,2-Benzisothiazol-3(2H)-onexact mass match 14441.17101 90295.82037 106319.3668 3.99E-10 4.97E-10 0.333541554 1.113873426 1.142490098 5.994711572 6.283797138 0.953995083 X15.7_287.186mz_neg 1,2-Dihexanoyl-sn-glycerolexact mass match 6336.906579 3559.391053 4594.014677 0.000176849 0.000596874 0.52531918 1.127243807