{"text_format":"3","workbook":"xls","n_sheets":9,"sheets":["S1","S2","S3","S4","S5","S6","S7","S8","S9"],"read":"whole","date_system":"1900","formulas":"cached_only"}

{"sheet":"S1","index":0,"n_rows":7,"n_cols":9,"rows_kept":7,"merged":[[1,0,2,0],[1,1,1,2],[1,3,1,4]],"flags":["formulas_cached_only"]}
["Table S1. Summary of the RNA sequencing data of 4 wheat RNA libraries"]
["code","Total Raw Data",null,"Total Clean Data",null,"Valid Ratio(reads;%)","GC content(%)","Q20%","Q30(%)"]
[null,"read (no.)","base(bp)","read (no.)","base(bp)"]
["CK1",73174653,"10.98G",69898136,"10.48G",95.52,51,{"v":99.93333333333334,"d":"99.93"},{"v":97.42333333333333,"d":"97.42"}]
["CK2",75342269,"11.3G",71543825,"10.73G",94.96,51.5,{"v":99.93666666666667,"d":"99.94"},{"v":97.78000000000002,"d":"97.78"}]
["T1",71580265,"10.74G",65160259,"9.78G",91.03,51.5,99.94,{"v":97.48666666666666,"d":"97.49"}]
["T2",72900690,"10.93G",68953701,"10.34G",94.59,51.5,{"v":99.93666666666667,"d":"99.94"},{"v":97.66000000000001,"d":"97.66"}]

{"sheet":"S2","index":1,"n_rows":4,"n_cols":4,"rows_kept":4,"flags":["formulas_cached_only"]}
["Table S2. The number of Differentially expressed genes in young embryos infected with Agrobacterium tumefaciens"]
["Comparison","All DEGs (no.)","downregulated DEG","Upregulated DEGs(no.)"]
["T1 vs. CK1",1570,840,730]
["T2 vs. CK2",1155,457,698]

{"sheet":"S3","index":2,"n_rows":1572,"n_cols":13,"rows_kept":1572,"flags":["formulas_cached_only"]}
["Table S3. Differentially expressed genes between CK1 and T1"]
["gene_id","FPKM.T1_1","FPKM.T1_2","FPKM.T1_3","FPKM.CK1_2","FPKM.CK1_1","FPKM.CK1_3","fc","log2(fc)","pval","qval","regulation","significant"]
["TraesCS3D02G258900",6.317765,6.97784,6.337968,49.645756,46.199032,59.418106,0.126453735945435,-2.98331843431696,5.09463493890814e-110,2.02305406106573e-105,"down","yes"]
["TraesCS3B02G291700",11.852558,10.236937,9.736303,58.375889,55.934143,65.17514,0.177317143501971,-2.49559606824117,4.82654436174143e-97,7.66638653330285e-93,"down","yes"]
["TraesCS3A02G258800",8.18535889784946,6.206769,5.809043,48.6705312903226,44.4646220860215,57.34417,0.134245492633742,-2.89705444514307,5.85363161864489e-80,4.22626881382871e-76,"down","yes"]
["TraesCS2B02G194200",7.95934,9.196714,10.930841,47.295948,46.196518,44.320503,0.203804440204753,-2.29474261162899,1.43388656108513e-69,4.74490986645081e-66,"down","yes"]
["TraesCS2B02G260800",4.27916708262158,3.77966926320377,4.18714775893324,12.314030370577,12.6513532835977,11.6967269065714,0.334022889502447,-1.58198112560068,4.4891137325028e-57,8.91302308804101e-54,"down","yes"]
["TraesCS2A02G168200",9.390756,11.263867,13.729353,56.604305,57.312359,51.128689,0.208330470231416,-2.26305423276814,5.11473570996032e-56,9.23198171248496e-53,"down","yes"]
["TraesCS7B02G278200",0.682385,1.183779,1.16687,11.231852,13.23364,9.059655,0.0904704161327018,-3.46641008239824,5.711816451238e-50,9.45055730710147e-47,"down","yes"]
["TraesCS4D02G038500",16.250624,17.773199,15.845211,51.953018,52.778877,50.814411,0.32060571081643,-1.64112797103818,3.93649345223319e-49,6.25264746965816e-46,"down","yes"]
["TraesCS1B02G388700",5.656769,7.031954,6.196427,23.368361,26.4881710034942,22.7466553585936,0.260114613230624,-1.94278064276856,6.41100316902273e-49,9.98344040550227e-46,"down","yes"]
["TraesCS1A02G369600",9.65851513861744,9.9055986330076,8.93282777090119,29.8283984317771,31.1815080814332,27.3212270984437,0.322614919308207,-1.63211493750271,3.56172949898982e-45,4.35183069354265e-42,"down","yes"]
["TraesCS2A02G235900",4.976079,4.986533,4.9027,13.900738,15.419909,13.331669,0.348522973523876,-1.52067433779918,1.3783536902842e-44,1.58648509751712e-41,"down","yes"]
["TraesCS5D02G173900",0.662508,0.693789,0.640973,4.677572,4.847694,5.407879,0.133747445698813,-2.90241675561914,4.48010151908274e-44,5.01134059921173e-41,"down","yes"]
["TraesCS7D02G236700",1.444449,1.505206,1.397526,6.689661,7.921169,5.898015,0.211966154115456,-2.23809417532534,6.79815801378756e-43,7.10398567496045e-40,"down","yes"]
["TraesCS3D02G359300",14.153996,17.479679,15.446655,49.248222,52.910286,48.362053,0.312783381135551,-1.67676423374549,2.71665281616339e-40,2.47992931042391e-37,"down","yes"]
["TraesCS7B02G131400",2.56841562068966,2.14857572413793,2.78819763468266,7.39167492803598,8.25665610594702,8.05818355972014,0.316587617713477,-1.65932326459452,6.61826609033798e-39,5.47516744404741e-36,"down","yes"]
["TraesCS1B02G146200",9.320193,8.377924,8.984708,22.525122,23.642368,21.197323,0.396094397233761,-1.33608380046189,1.28784977606467e-38,1.0227974136528e-35,"down","yes"]
["TraesCS2D02G064900",1.005357,0.937383,1.249758,7.01752,5.4445,7.633198,0.158868542754799,-2.65409460710763,1.64579794869784e-35,1.10769175667486e-32,"down","yes"]
["TraesCS7A02G131200",9.101711,8.378834,9.76448,23.861959,25.601252,21.621363,0.383276194354066,-1.38354370111598,4.76724102179017e-35,3.12900425379797e-32,"down","yes"]
["TraesCS4A02G272900",40.300354,40.233128,38.071815,99.285332,91.678749,101.00473,0.406225913630206,-1.29964582109935,1.71203691658695e-34,1.05401751843736e-31,"down","yes"]
["TraesCS6A02G380200",5.22382919923616,4.50467690070019,5.70630718586887,14.6728485601528,16.4615814672183,13.6141091323997,0.34492328857254,-1.53565255474084,6.5933570549634e-34,3.85027811726572e-31,"down","yes"]
["TraesCS2D02G361800",6.98854,6.789506,7.475245,21.293659,24.471581,19.387146,0.326208943445295,-1.61613175892186,9.67254609146293e-34,5.52650315135176e-31,"down","yes"]
["TraesCS2D02G241800",4.695808,5.163226,4.699895,12.367463,12.349472,12.306962,0.393230593743279,-1.34655252568929,1.45244053083464e-31,6.99099239505192e-29,"down","yes"]
["TraesCS5A02G008800",9.990041,14.781226,9.69005,59.723396,45.444244,62.86414,0.2050880910742,-2.28568437414229,2.61222798940379e-31,1.23488413506226e-28,"down","yes"]
["TraesCS2D02G175600",2.324622,3.007494,4.990693,19.357094,18.80584,18.121614,0.18340396017749,-2.44690330400924,1.36721340401213e-29,5.53993476189995e-27,"down","yes"]
["TraesCS5B02G094600",11.3958129827255,10.251036,11.09621,24.266443,25.98513,22.896688,0.447625938540432,-1.15963445642962,3.10219766115257e-28,1.11987925477762e-25,"down","yes"]
["TraesCS5A02G008700",12.782426,15.758503,10.749946,55.431652,43.213051,63.737789,0.241964971198989,-2.04712988844254,6.86442206913362e-28,2.39107691363387e-25,"down","yes"]
["TraesCS6A02G185400",7.647723,7.280409,8.49614,18.117798,20.409296,17.207481,0.420282598369145,-1.25056837136504,6.4138358706433e-27,2.00543476775835e-24,"down","yes"]
["TraesCS1A02G129400",15.874905,14.467383,14.942492,30.132263,32.838917,30.703318,0.483426983510496,-1.04863009242866,3.10741159998033e-26,9.34801219162264e-24,"down","yes"]
["TraesCS1D02G375700",5.450745,7.528705,5.057355,21.04812,21.798018,21.946692,0.278376558023473,-1.84489036734732,4.64136537259046e-26,1.36019408312089e-23,"down","yes"]
["TraesCS4A02G058000",8.020665,7.598745,8.920458,17.647415,18.477709,19.286057,0.44286852503649,-1.17504962732624,5.74747359516333e-26,1.67200954378856e-23,"down","yes"]
["TraesCS4B02G207100",0.132376069751844,0.201149790744467,0.0922070985915493,3.15613012810194,1.77715434406439,5.40039137558685,0.0411985981910228,-4.60126094016394,1.85991472402802e-25,5.19408391574467e-23,"down","yes"]
["TraesCS4D02G021400",0.58254,0.606265,0.370313,2.949724,3.889014,2.863931,0.160689599944098,-2.63765153609594,1.89603740071153e-25,5.26508371773107e-23,"down","yes"]
["TraesCS3B02G395900",4.91988,4.227979,5.71782,12.598583,12.655478,12.792766,0.390720598067219,-1.35579078114692,4.88770216477744e-25,1.30699130715306e-22,"down","yes"]
["TraesCS5D02G014200",29.05549,36.236557,26.743837,92.075264,84.631416,93.216873,0.340970185732551,-1.55228249867679,5.69384802917161e-25,1.5073323887626e-22,"down","yes"]
["TraesCS3B02G578000",1.225651,1.105492,2.307642,9.99791,8.223857,10.126568,0.163635183512541,-2.61144511664578,7.62312835769282e-25,1.99808987141784e-22,"down","yes"]
["TraesCS6D02G364900",5.84154092930591,5.27169532133676,6.69015376349614,13.2121379614396,14.2759178753213,13.5059688007712,0.434292318735617,-1.20326165860496,8.06715852425744e-24,1.8788435860352e-21,"down","yes"]
["TraesCS1A02G258800",9.23152,7.955065,7.667884,20.076012,21.951933,19.05872,0.406872252724879,-1.29735219791434,2.48729698454289e-23,5.51783908422938e-21,"down","yes"]
["TraesCS7D02G130500",9.436457,8.37798,9.798742,19.726915,22.285034,18.74017,0.454522071896784,-1.13757774052769,2.71687608744219e-23,6.01035047321925e-21,"down","yes"]
["TraesCS7B02G031500",11.222255,9.461871,11.281215,22.385069,23.969959,21.551355,0.470726603123597,-1.08703870561644,2.80529096415063e-23,6.1887056411633e-21,"down","yes"]
["TraesCS3A02G363700",5.42242117459262,4.41989613269039,6.28051585034919,14.1170391792484,13.7340080498836,13.3329815118058,0.39148266088902,-1.35297968418685,6.08780938390223e-23,1.30320143789793e-20,"down","yes"]
["TraesCS4B02G267200",2.336797,2.924993,3.423251,11.416322,15.142652,8.784365,0.245733460553911,-2.02483377773085,4.8243651187114e-22,9.2547404193947e-20,"down","yes"]
["TraesCS7A02G204800",7.820369,7.599421,7.346016,19.863283,19.446646,16.594456,0.40722755469003,-1.29609291149511,4.89324748269401e-22,9.36426076694157e-20,"down","yes"]
["TraesCS6B02G419000",5.73154508937824,5.51818382253886,7.74803366968912,16.2320387720207,18.1241406839378,15.8422603212435,0.378453248067566,-1.40181300589701,8.20473109858093e-22,1.53320362145459e-19,"down","yes"]
["TraesCS1D02G125300",11.914992,10.126518,10.166826,22.679386,25.667532,22.206419,0.456510455345294,-1.13128019261418,4.10176450921389e-21,7.14381656923811e-19,"down","yes"]
["TraesCS1B02G049200",1.755779,1.466796,1.823695,5.562651,5.332388,5.950644,0.299558646568382,-1.73908961831541,5.62789806041132e-21,9.61208679698509e-19,"down","yes"]
["TraesCS4A02G038500",3.3530357340249,2.42038369958506,4.44566140124481,14.4343656443983,19.8916353477178,10.9420663136929,0.225745905293894,-2.14722827535739,6.57772860376435e-21,1.11623211107342e-18,"down","yes"]
["TraesCS7B02G290200",0.320177,0.500663,0.473866,4.076818,3.965573,3.439851,0.112757247234469,-3.14870793224292,1.46587246756642e-20,2.40037372168366e-18,"down","yes"]
["TraesCS2B02G382000",6.206571,6.791863,6.025224,19.20298,16.391384,15.404887,0.373018380211113,-1.42268137489986,1.50244580143129e-20,2.4552004753883e-18,"down","yes"]
["TraesCS3A02G200400",7.31972705875123,7.45020138249754,7.11897409537856,14.3737678547198,16.5598472131268,14.6209726406096,0.480498312853002,-1.05739672953429,3.24393393131502e-20,5.12186856642361e-18,"down","yes"]
["TraesCS2D02G461700",35.7565210577508,36.5704809361702,37.7321063586626,77.5318448976697,101.12314943465,77.3502187568389,0.429909637481692,-1.21789464264664,6.50206549704731e-20,1.00660339124756e-17,"down","yes"]
["TraesCS5A02G172700",4.5023,3.046909,4.952336,11.977071,12.846049,12.340902,0.336388375832949,-1.57180024190402,1.08844371338068e-19,1.64967769604925e-17,"down","yes"]
["TraesCS3B02G412700",1.152932,1.200136,1.128436,3.122227,3.509749,3.253676,0.352177479037296,-1.50562543989214,1.45070990766255e-19,2.16161219806102e-17,"down","yes"]
["TraesCS5B02G386800",7.11729,6.393905,9.621675,20.44195,21.726002,20.249126,0.370617637692043,-1.43199655403662,1.56733021726562e-19,2.32230967397423e-17,"down","yes"]
["TraesCS1B02G332200",1.081618,0.807039,1.095825,4.212723,3.96812,3.706013,0.251074127591013,-1.99381472386154,2.66854232314937e-19,3.90300115584161e-17,"down","yes"]
["TraesCS5B02G216000",2.411754,1.884771,3.380469,8.626652,9.157389,8.456549,0.292561790721931,-1.77318673257267,7.19343667328138e-19,1.01114256133687e-16,"down","yes"]
["TraesCS3D02G373300",2.388671,2.506582,2.682264,5.085721,6.24973,5.908828,0.439422083115218,-1.18632072080151,8.44690900086067e-19,1.17692116831466e-16,"down","yes"]
["TraesCS3B02G224600",7.91776106888519,8.62571633011647,8.29900321464226,17.7273184189684,19.9242265198003,16.3988466881864,0.45961703265911,-1.12149583198273,1.21204931785323e-18,1.66827980545209e-16,"down","yes"]
["TraesCS2D02G126600",1.828551,1.504117,2.228119,4.951867,5.132412,6.342164,0.338526545278244,-1.56265912891652,1.38418910134977e-18,1.89863409741101e-16,"down","yes"]
["TraesCS7A02G348600",2.903067,3.040946,4.054708,8.951791,9.39226,9.427963,0.360028660506941,-1.47381633631742,1.49275366274216e-18,2.03001717707739e-16,"down","yes"]
["TraesCS2A02G461700",53.7110505120968,57.8046758689516,56.4559056451613,110.98535372379,142.931043368952,114.973674002016,0.455343326340335,-1.13497335522614,1.60516317835369e-18,2.17543437647904e-16,"down","yes"]
["TraesCS2A02G523300",6.1663647994251,5.27608298498882,5.80482122357074,12.0042516109869,11.9614121251996,11.0575438482913,0.49245258208813,-1.02194327971887,2.64119241176763e-18,3.49019734026911e-16,"down","yes"]
["TraesCS1D02G264100",10.891001,12.204481,12.558875,23.307787,26.204546,23.784155,0.486440182509154,-1.03966568700993,2.79107230307517e-18,3.663870598974e-16,"down","yes"]
["TraesCS2A02G364000",10.884685,10.753685,10.152786,27.378431,31.127481,22.021362,0.39478743562088,-1.34085201911506,3.43039272110092e-18,4.45889295445358e-16,"down","yes"]
["TraesCS1A02G143900",7.89690160500544,6.68145338683351,8.60415798422198,15.8890573585419,16.6463707372144,17.2167592899891,0.465959673216358,-1.10172299358781,6.37572924377311e-18,8.03736572716217e-16,"down","yes"]
["TraesCS2B02G341100",2.636343,2.320806,2.642903,6.598793,6.346749,7.101295,0.379114770075698,-1.39929343078221,6.41010930816498e-18,8.06789970119105e-16,"down","yes"]
["TraesCS1D02G298400",9.36831262154051,11.0121190683561,9.62077794198066,21.0324058386129,22.7248546235412,21.1111444854952,0.462493407323475,-1.11249529420872,8.08779533612317e-18,1.00994436760938e-15,"down","yes"]
["TraesCS3D02G359200",2.607306,3.532555,2.920577,8.018098,9.708455,7.777836,0.355250149297833,-1.49309283911052,1.39121473090267e-17,1.69671541793685e-15,"down","yes"]
["TraesCS1D02G142700",5.133819,4.534138,6.878345,14.442793,14.435225,14.008637,0.385814701566256,-1.37401997619547,1.9174922297154e-17,2.31436649531561e-15,"down","yes"]
["TraesCS3D02G046700",0.339711,0.240128,0.321453,2.470343,3.043245,2.44126,0.113300970678509,-3.14176787373711,2.51735755090487e-17,2.97952338800766e-15,"down","yes"]
["TraesCS6D02G368700",1.748786,1.039546,1.23983,5.620643,5.182861,4.399446,0.264959234885335,-1.91615768295774,2.90197122939891e-17,3.39928691840165e-15,"down","yes"]
["TraesCS1D02G226500",1.417453,1.035417,1.248903,2.933106,3.229808,2.873877,0.409633574573098,-1.28759412787706,3.43204739380999e-17,3.97332029109323e-15,"down","yes"]
["TraesCS5D02G177200",7.940244,6.377948,9.39614,18.301943,18.893633,18.552168,0.425386397698892,-1.23315419296184,6.55278796953138e-17,7.34125199235042e-15,"down","yes"]
["TraesCS1B02G288000",2.775321,2.46120276289593,2.63962,5.79559260045249,6.25020553122172,5.801124,0.441316642992327,-1.18011393943899,1.61203492468275e-16,1.70701602244506e-14,"down","yes"]
["TraesCS5B02G502700",32.883961,36.793163,37.695736,71.168869,68.294823,82.174927,0.484450139982148,-1.04557990499945,1.74184670364876e-16,1.83712780022684e-14,"down","yes"]
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{"sheet":"S4","index":3,"n_rows":1157,"n_cols":13,"rows_kept":1157,"flags":["formulas_cached_only"]}
["Table S4. Differentially expressed genes between CK2 and T2"]
["gene_id","FPKM.T2_1","FPKM.T2_2","FPKM.T2_3","FPKM.CK2_1","FPKM.CK2_2","FPKM.CK2_3","fc","log2(fc)","pval","qval","regulation","significant"]
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{"sheet":"S5","index":4,"n_rows":11,"n_cols":3,"rows_kept":11,"flags":["formulas_cached_only"]}
["Table S5.  the primes for qRT-PCR"]
["gene ID","forward primers","reverse primers"]
[" TraesCS2A02G040500","TCGGCATGAGGTCATATTG","GATCCACGTCAGGTTCTAC"]
[" TraesCS2D02G107600","CCGTCAACAAGGAGAACC","CCAGACAGCAGAACAGAC"]
[" TraesCS2D02G200600","GAGGCATTGGAAGCAGAG","GATGTAACCTGGCATGATTC"]
[" TraesCS5A02G008800","ACGGCAAGGAAGATAACG","CAGCACCAGGAATGATGT"]
[" TraesCS5D02G014200","GAACACGGCAAGGAAGATA","CCAGCACCAGGAATGATG"]
[" TraesCS6D02G366200","GATGATGGCGGAGATTACG","GCTGCTGCTGAAGTTGAG"]
["TraesCS1A02G370100","CGGAGAAGGTGTGACTGA","TGATGGTGAAGCGAGACT"]
["TraesCS3B02G335300","AGGAGGTGATGGACTACG","GCTGAAGTGCTTGGAGAG"]
["TraesCS3D02G300600","AGGAGGTGATGGACTACG","GCTGAAGTGCTTGGAGAG"]

{"sheet":"S6","index":5,"n_rows":622,"n_cols":6,"rows_kept":622,"flags":["formulas_cached_only"]}
["Table S6. 620  known metabolites among the 7174 metabolites detected"]
["ID","Metabolite","Formula","HMDB","Superclass","Class"]
["pos-0.813_117.07857","betaine","C5H11NO2","HMDB0000043","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.866_100.05205","betaine","C5H11NO2","HMDB0000043","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.78_103.06311","gamma-aminobutyric acid","C4H9NO2","HMDB0000112","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-3.504_276.15778","n-(4-guanidinobutyl)-4-hydroxycinnamide","C14H20N4O2","HMDB0033460","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-7.439_495.33087","1-palmitoylglycerophosphocholine","C24H50NO7P","HMDB0010382","Lipids and lipid-like molecules","Glycerophospholipids"]
["pos-3.704_121.08893","phenethylamine","C8H11N","HMDB0012275","Benzenoids","Benzene and substituted derivatives"]
["pos-1.291_267.09596","adenosine","C10H13N5O4","HMDB0000050","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["pos-0.806_115.02646","maleamate","C4H5NO3"]
["pos-0.806_147.05268","l-glutamic acid","C5H9NO4","HMDB0000148","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.31_131.09428","l-isoleucine","C6H13NO2","HMDB0000172","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.4_85.08891","piperidine","C5H11N","HMDB0034301","Organoheterocyclic compounds","Piperidines"]
["pos-0.69_129.07861","pipecolic acid","C6H11NO2","HMDB0000070","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.258_164.04692","2-hydroxycinnamic acid","C9H8O3","HMDB0002641","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-0.792_145.10958","3-dehydroxycarnitine","C7H15NO2","HMDB0001161","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-0.79_105.04214","d-serine","C3H7NO3","HMDB0003406","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.31_85.08891","piperidine","C5H11N","HMDB0034301","Organoheterocyclic compounds","Piperidines"]
["pos-5.564_352.22137","6-ketoprostaglandin f1","C20H34O6","HMDB0002886","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-0.828_97.97659","orthophosphate","H3O4P","HMDB0001429","Homogeneous non-metal compounds","Non-metal oxoanionic compounds"]
["pos-0.921_97.97659","orthophosphate","H3O4P","HMDB0001429","Homogeneous non-metal compounds","Non-metal oxoanionic compounds"]
["pos-0.888_103.06311","gamma-aminobutyric acid","C4H9NO2","HMDB0000112","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.855_216.07545","glycerophosphocholine","C8H20NO6P","HMDB0000086","Lipids and lipid-like molecules","Glycerophospholipids"]
["pos-0.792_257.10199","glycerophosphocholine","C8H20NO6P","HMDB0000086","Lipids and lipid-like molecules","Glycerophospholipids"]
["pos-6.615_347.28105","n-arachidonoylethanolamine","C22H37NO2","HMDB0004080","Organic nitrogen compounds","Organonitrogen compounds"]
["pos-2.121_138.03129","3,4-dihydroxybenzaldehyde","C7H6O3","HMDB0059965","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.899_131.09427","l-isoleucine","C6H13NO2","HMDB0000172","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.794_89.0474","alanine","C3H7NO2","HMDB0000056","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.846_138.03129","3,4-dihydroxybenzaldehyde","C7H6O3","HMDB0059965","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.868_267.09595","adenosine","C10H13N5O4","HMDB0000050","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["pos-0.697_155.06904","l-histidine","C6H9N3O2","HMDB0000177","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.793_158.06862","4-methylene-l-glutamine","C6H10N2O3"]
["pos-7.721_294.21855","9-oxo-ode","C18H30O3","HMDB0004669","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.597_181.03716","2-methyl-3-hydroxy-5-formylpyridine-4-carboxylate","C8H7NO4","HMDB0006954","Organoheterocyclic compounds","Pyridines and derivatives"]
["pos-0.834_126.0313","3-hydroxy-2-methyl-4-pyrone","C6H6O3","HMDB0030776","Organoheterocyclic compounds","Pyrans"]
["pos-0.832_342.11508","1-alpha-d-galactosyl-myo-inositol","C12H22O11","HMDB0005826","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.801_101.04743","1-aminocyclopropane-1-carboxylate","C4H7NO2","HMDB0036458","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-6.336_294.21852","13(s)-hotre","C18H30O3"]
["pos-1.309_134.02247","guanine","C5H5N5O","HMDB0000132","Organoheterocyclic compounds","Imidazopyrimidines"]
["pos-1.312_151.04903","guanine","C5H5N5O","HMDB0000132","Organoheterocyclic compounds","Imidazopyrimidines"]
["pos-0.663_130.1215","agmatine","C5H14N4","HMDB0001432","Organic nitrogen compounds","Organonitrogen compounds"]
["pos-0.874_140.04695","l-tyrosine","C9H11NO3","HMDB0000158","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.897_85.08891","piperidine","C5H11N","HMDB0034301","Organoheterocyclic compounds","Piperidines"]
["pos-7.296_495.33341","1-palmitoylglycerophosphocholine","C24H50NO7P","HMDB0010382","Lipids and lipid-like molecules","Glycerophospholipids"]
["pos-0.647_123.03342","picolinic acid","C6H5NO2","HMDB0002243","Organoheterocyclic compounds","Pyridines and derivatives"]
["pos-0.854_347.06205","adenosine 5'-monophosphate","C10H14N5O7P","HMDB0000045","Nucleosides, nucleotides, and analogues","Purine nucleotides"]
["pos-7.297_495.33092","1-palmitoylglycerophosphocholine","C24H50NO7P","HMDB0010382","Lipids and lipid-like molecules","Glycerophospholipids"]
["pos-0.889_126.03115","3-hydroxy-2-methyl-4-pyrone","C6H6O3","HMDB0030776","Organoheterocyclic compounds","Pyrans"]
["pos-1.258_123.03175","nicotinic acid","C6H5NO2","HMDB0001488","Organoheterocyclic compounds","Pyridines and derivatives"]
["pos-0.862_135.05418","adenine","C5H5N5","HMDB0000034","Organoheterocyclic compounds","Imidazopyrimidines"]
["pos-0.86_145.08475","4-guanidinobutyric acid","C5H11N3O2","HMDB0003464","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.861_128.05821","4-guanidinobutyric acid","C5H11N3O2","HMDB0003464","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.834_111.99224","hydroxymethylphosphonate","CH5O4P"]
["pos-1.57_206.05743","sinapinic acid","C11H12O5","HMDB0032616","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-3.054_146.03645","coumarin","C9H6O2","HMDB0001218","Phenylpropanoids and polyketides","Coumarins and derivatives"]
["pos-3.975_122.03639","4-hydroxybenzaldehyde","C7H6O2","HMDB0011718","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.725_188.15192","n6,n6,n6-trimethyl-l-lysine","C9H20N2O2","HMDB0001325","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.865_122.03728","4-hydroxybenzaldehyde","C7H6O2","HMDB0011718","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.854_149.05065","l-methionine","C5H11NO2S","HMDB0000696","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.87_151.04903","guanine","C5H5N5O","HMDB0000132","Organoheterocyclic compounds","Imidazopyrimidines"]
["pos-0.868_134.02243","guanine","C5H5N5O","HMDB0000132","Organoheterocyclic compounds","Imidazopyrimidines"]
["pos-1.019_165.07854","l-phenylalanine","C9H11NO2","HMDB0000159","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.933_111.99225","hydroxymethylphosphonate","CH5O4P"]
["pos-1.309_283.09083","guanosine","C10H13N5O5","HMDB0000133","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["pos-4.399_194.05745","ferulic acid","C10H10O4","HMDB0000954","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-0.815_258.08419","(1-ribosylimidazole)-4-acetate","C10H14N2O6","HMDB0002331","Nucleosides, nucleotides, and analogues","Imidazole ribonucleosides and ribonucleotides"]
["pos-4.385_224.0679","sinapinic acid","C11H12O5","HMDB0032616","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-1.259_112.02701","uracil","C4H4N2O2","HMDB0000300","Organoheterocyclic compounds","Diazines"]
["pos-3.99_117.05745","indole","C8H7N","HMDB0000738","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-6.329_352.22137","6-ketoprostaglandin f1伪","C20H34O6","HMDB0002886","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.185_117.05754","indole","C8H7N","HMDB0000738","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-1.259_122.03649","4-hydroxybenzaldehyde","C7H6O2","HMDB0011718","Organic oxygen compounds","Organooxygen compounds"]
["pos-4.969_97.97657","orthophosphate","H3O4P","HMDB0001429","Homogeneous non-metal compounds","Non-metal oxoanionic compounds"]
["pos-5.975_352.22135","6-ketoprostaglandin f1伪","C20H34O6","HMDB0002886","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-0.869_94.04157","phenol","C6H6O","HMDB0000228","Benzenoids","Phenols"]
["pos-3.36_482.25201","11-beta-hydroxyandrosterone-3-glucuronide","C25H38O9","HMDB0010351","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-0.644_82.00704","nicotinic acid","C6H5NO2","HMDB0001488","Organoheterocyclic compounds","Pyridines and derivatives"]
["pos-2.994_232.12068","melatonin","C13H16N2O2","HMDB0001389","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-0.92_126.03136","3-hydroxy-2-methyl-4-pyrone","C6H6O3","HMDB0030776","Organoheterocyclic compounds","Pyrans"]
["pos-0.69_139.07428","4-amino-5-hydroxymethyl-2-methylpyrimidine","C6H9N3O"]
["pos-3.595_343.08954","diboa-glucoside","C14H17NO9","HMDB0033734","Organic oxygen compounds","Organooxygen compounds"]
["pos-1.49_206.05741","sinapinic acid","C11H12O5","HMDB0032616","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-4.234_164.04699","4-coumaric acid","C9H8O3","HMDB0002035","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-6.561_294.21854","13(s)-hotre","C18H30O3"]
["pos-7.643_294.21859","13(s)-hotre","C18H30O3"]
["pos-0.789_322.13655","2'-deamino-2'-hydroxy-6'-dehydroparomamine","C12H22N2O8"]
["pos-0.793_426.08668","s-glutathionyl-l-cysteine","C13H22N4O8S2"]
["pos-4.969_154.03907","diethyl phosphate","C4H11O4P","HMDB0012209","Organic acids and derivatives","Organic phosphoric acids and derivatives"]
["pos-7.203_294.2186","13(s)-hotre","C18H30O3"]
["pos-1.357_251.10118","2'-deoxyadenosine","C10H13N5O3","HMDB0000101","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["pos-9.783_183.97753","3-phosphonooxypyruvate","C3H5O7P","HMDB0001024","Organic oxygen compounds","Organooxygen compounds"]
["pos-3.642_194.05746","ferulic acid","C10H10O4","HMDB0000954","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-1.255_347.06206","adenosine 5'-monophosphate","C10H14N5O7P","HMDB0000045","Nucleosides, nucleotides, and analogues","Purine nucleotides"]
["pos-0.834_364.09703","d-(+)-maltose","C12H22O11","HMDB0000163","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.827_150.03119","phenylglyoxylic acid","C8H6O3","HMDB0001587","Benzenoids","Benzene and substituted derivatives"]
["pos-0.796_111.04294","cytosine","C4H5N3O","HMDB0000630","Organoheterocyclic compounds","Diazines"]
["pos-1.255_145.08475","4-guanidinobutanoate","C5H11N3O2","HMDB0003464","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-4.088_146.03649","coumarin","C9H6O2","HMDB0001218","Phenylpropanoids and polyketides","Coumarins and derivatives"]
["pos-6.813_294.21855","13(s)-hotre","C18H30O3"]
["pos-0.621_145.15752","spermidine","C7H19N3","HMDB0001257","Organic nitrogen compounds","Organonitrogen compounds"]
["pos-1.736_206.05741","sinapinic acid","C11H12O5","HMDB0032616","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-7.77_294.21856","13(s)-hotre","C18H30O3"]
["pos-3.133_150.03144","phenylglyoxylic acid","C8H6O3","HMDB0001587","Benzenoids","Benzene and substituted derivatives"]
["pos-1.374_187.04759","2-(acetamidomethylene)succinate","C7H9NO5"]
["pos-0.826_122.04756","nicotinamide","C6H6N2O","HMDB0001406","Organoheterocyclic compounds","Pyridines and derivatives"]
["pos-5.405_352.22136","6-ketoprostaglandin f1伪","C20H34O6","HMDB0002886","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.178_129.08998","4-guanidinobutanal","C5H11N3O"]
["pos-0.87_283.09085","guanosine","C10H13N5O5","HMDB0000133","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["pos-0.907_139.98691","acetylphosphate","C2H5O5P","HMDB0001494","Organic acids and derivatives","Organic phosphoric acids and derivatives"]
["pos-3.261_297.08834","5'-s-methyl-5'-thioadenosine","C11H15N5O3S","HMDB0001173","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides"]
["pos-0.832_111.04297","cytosine","C4H5N3O","HMDB0000630","Organoheterocyclic compounds","Diazines"]
["pos-1.255_188.11556","n6-acetyl-l-lysine","C8H16N2O3","HMDB0000206","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.914_172.01312","glycerol 3-phosphate","C3H9O6P","HMDB0000126","Lipids and lipid-like molecules","Glycerophospholipids"]
["pos-0.87_122.03649","4-hydroxybenzaldehyde","C7H6O2","HMDB0011718","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.691_111.01392","4-methyl-5-thiazoleethanol","C6H9NOS","HMDB0032985","Organoheterocyclic compounds","Azoles"]
["pos-0.903_526.14967","d-raffinose","C18H32O16","HMDB0003213","Organic oxygen compounds","Organooxygen compounds"]
["pos-5.9_352.22139","6-ketoprostaglandin f1伪","C20H34O6","HMDB0002886","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-1.992_328.05517","aflatoxin g1","C17H12O7","HMDB0030474","Phenylpropanoids and polyketides","Coumarins and derivatives"]
["pos-0.689_143.04014","4-methyl-5-thiazoleethanol","C6H9NOS","HMDB0032985","Organoheterocyclic compounds","Azoles"]
["pos-0.959_126.00785","2-hydroxyethylphosphonate","C2H7O4P"]
["pos-0.778_276.13122","saccharopine","C11H20N2O6","HMDB0000279","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.864_250.06161","gamma-glutamylcysteine","C8H14N2O5S","HMDB0001049","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.81_133.03708","d-aspartate","C4H7NO4","HMDB0006483","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-3.548_150.03144","phenylglyoxylic acid","C8H6O3","HMDB0001587","Benzenoids","Benzene and substituted derivatives"]
["pos-4.968_126.00787","2-hydroxyethylphosphonate","C2H7O4P"]
["pos-0.824_165.07857","l-phenylalanine","C9H11NO2","HMDB0000159","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.892_174.11117","d-arginine","C6H14N4O2","HMDB0003416","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-2.009_126.04259","thymine","C5H6N2O2","HMDB0000262","Organoheterocyclic compounds","Diazines"]
["pos-0.86_169.07339","norepinephrine","C8H11NO3","HMDB0000216","Benzenoids","Phenols"]
["pos-3.321_181.03715","2-methyl-3-hydroxy-5-formylpyridine-4-carboxylate","C8H7NO4","HMDB0006954","Organoheterocyclic compounds","Pyridines and derivatives"]
["pos-0.785_215.05517","sn-glycero-3-phosphoethanolamine","C5H14NO6P","HMDB0000114","Lipids and lipid-like molecules","Glycerophospholipids"]
["pos-7.877_290.2602","geranylgeraniol","C20H34O"]
["pos-4.006_178.06257","coniferylaldehyde","C10H10O3","HMDB0141782","Benzenoids","Phenols"]
["pos-0.864_179.0814","7-aminomethyl-7-deazaguanine","C7H9N5O","HMDB0011690","Organoheterocyclic compounds","Pyrrolopyrimidines"]
["pos-0.693_129.08973","4-guanidinobutanal","C5H11N3O"]
["pos-0.851_132.04193","(s)-2-acetolactate","C5H8O4","HMDB0006855","Organic acids and derivatives","Keto acids and derivatives"]
["pos-1.255_250.06163","gamma-glutamylcysteine","C8H14N2O5S","HMDB0001049","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.834_270.07298","d-lombricine","C6H15N4O6P"]
["pos-0.83_180.04153","2-hydroxy-3-(4-hydroxyphenyl)propenoate","C9H8O4","HMDB0006915","Benzenoids","Benzene and substituted derivatives"]
["pos-2.164_143.04014","4-methyl-5-thiazoleethanol","C6H9NOS","HMDB0032985","Organoheterocyclic compounds","Azoles"]
["pos-6.685_294.21855","13(s)-hotre","C18H30O3"]
["pos-3.616_132.05727","trans-cinnamaldehyde","C9H8O","HMDB0003441","Phenylpropanoids and polyketides","Cinnamaldehydes"]
["pos-0.891_155.06904","l-histidine","C6H9N3O2","HMDB0000177","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.863_219.07386","o-succinyl-l-homoserine","C8H13NO6"]
["pos-0.755_111.01393","4-methyl-5-thiazoleethanol","C6H9NOS","HMDB0032985","Organoheterocyclic compounds","Azoles"]
["pos-0.87_498.10794","bis-gamma-glutamylcystine","C16H26N4O10S2","HMDB0038458","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.755_143.04014","4-methyl-5-thiazoleethanol","C6H9NOS","HMDB0032985","Organoheterocyclic compounds","Azoles"]
["pos-5.566_134.10909","p-cymene","C10H14","HMDB0005805","Lipids and lipid-like molecules","Prenol lipids"]
["pos-2.121_168.04185","3,4-dihydroxyphenylacetic acid","C8H8O4","HMDB0001336","Benzenoids","Phenols"]
["pos-3.134_210.05239","5-hydroxyferulate","C10H10O5","HMDB0035484","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-3.501_146.03645","coumarin","C9H6O2","HMDB0001218","Phenylpropanoids and polyketides","Coumarins and derivatives"]
["pos-0.812_131.10538","n-carbamoylputrescine","C5H13N3O","HMDB0033458","Organic acids and derivatives","Carboximidic acids and derivatives"]
["pos-1.246_342.11517","1-alpha-d-galactosyl-myo-inositol","C12H22O11","HMDB0005826","Organic oxygen compounds","Organooxygen compounds"]
["pos-1.263_189.06314","aminodhq","C7H11NO5"]
["pos-2.056_244.08746","biotin","C10H16N2O3S","HMDB0000030","Organoheterocyclic compounds","Biotin and derivatives"]
["pos-3.144_473.16502","10-formyltetrahydrofolate","C20H23N7O7","HMDB0000972","Organoheterocyclic compounds","Dithiolanes"]
["pos-6.925_294.21856","13(s)-hotre","C18H30O3"]
["pos-5.566_150.10404","(-)-isopiperitenone","C10H14O"]
["pos-0.9_187.0476","2-(acetamidomethylene)succinate","C7H9NO5"]
["pos-1.238_526.14969","d-raffinose","C18H32O16","HMDB0003213","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.709_101.04741","1-aminocyclopropane-1-carboxylate","C4H7NO2","HMDB0036458","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.57_178.06256","coniferylaldehyde","C10H10O3","HMDB0141782","Benzenoids","Phenols"]
["pos-1.544_276.07721","biotin sulfone","C10H16N2O5S","HMDB0004818","Organoheterocyclic compounds","Thienoimidazolidines"]
["pos-0.933_324.03485","3'-ump","C9H13N2O9P","HMDB0060282","Nucleosides, nucleotides, and analogues","Ribonucleoside 3'-phosphates"]
["pos-1.256_131.05782","(s)-4-amino-5-oxopentanoate","C5H9NO3"]
["pos-5.2_352.22144","6-ketoprostaglandin f1伪","C20H34O6","HMDB0002886","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-4.047_187.12039","8-amino-7-oxononanoate","C9H17NO3","HMDB0240687","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.506_113.08384","caprolactam","C6H11NO","HMDB0062769","Organoheterocyclic compounds","Lactams"]
["pos-0.836_222.05204","2-succinylbenzoate","C11H10O5"]
["pos-1.241_521.19438","d-raffinose","C18H32O16","HMDB0003213","Organic oxygen compounds","Organooxygen compounds"]
["pos-1.831_179.07904","1-amino-1-deoxy-scyllo-inositol","C6H13NO5"]
["pos-3.988_168.04184","3,4-dihydroxyphenylacetic acid","C8H8O4","HMDB0001336","Benzenoids","Phenols"]
["pos-0.693_115.06299","d-proline","C5H9NO2","HMDB0003411","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.262_113.0474","(s)-1-pyrroline-5-carboxylate","C5H7NO2","HMDB0001301","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.849_548.08112","dtdp-6-deoxy-l-mannose","C16H26N2O15P2","HMDB0006354","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["pos-3.443_320.14777","octanoylglucuronide","C14H24O8","HMDB0010347","Organic oxygen compounds","Organooxygen compounds"]
["pos-1.258_120.05723","phenylacetaldehyde","C8H8O","HMDB0006236","Benzenoids","Benzene and substituted derivatives"]
["pos-3.735_132.05727","trans-cinnamaldehyde","C9H8O","HMDB0003441","Phenylpropanoids and polyketides","Cinnamaldehydes"]
["pos-1.257_111.04324","cytosine","C4H5N3O","HMDB0000630","Organoheterocyclic compounds","Diazines"]
["pos-3.926_150.03144","phenylglyoxylic acid","C8H6O3","HMDB0001587","Benzenoids","Benzene and substituted derivatives"]
["pos-3.466_225.06328","4-amino-4-deoxychorismate","C10H11NO5"]
["pos-3.26_135.05421","adenine","C5H5N5","HMDB0000034","Organoheterocyclic compounds","Imidazopyrimidines"]
["pos-7.771_371.33887","lithocholic acid","C24H40O3","HMDB0000717","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-2.029_187.12033","8-amino-7-oxononanoate","C9H17NO3","HMDB0240687","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-1.314_145.15754","spermidine","C7H19N3","HMDB0001257","Organic nitrogen compounds","Organonitrogen compounds"]
["pos-0.878_113.04739","(s)-1-pyrroline-5-carboxylate","C5H7NO2","HMDB0001301","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-9.772_163.05903","o-ureido-d-serine","C4H9N3O4"]
["pos-1.375_101.04741","1-aminocyclopropane-1-carboxylate","C4H7NO2","HMDB0036458","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.262_169.07333","norepinephrine","C8H11NO3","HMDB0000216","Benzenoids","Phenols"]
["pos-3.751_224.06796","sinapinic acid","C11H12O5","HMDB0032616","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-5.2_294.21856","13(s)-hotre","C18H30O3"]
["pos-1.252_179.08154","7-aminomethyl-7-deazaguanine","C7H9N5O","HMDB0011690","Organoheterocyclic compounds","Pyrrolopyrimidines"]
["pos-3.143_482.25176","11-beta-hydroxyandrosterone-3-glucuronide","C25H38O9","HMDB0010351","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-1.529_152.03304","xanthine","C5H4N4O2","HMDB0000292","Organoheterocyclic compounds","Imidazopyrimidines"]
["pos-4.637_242.07973","lumichrome","C12H10N4O2"]
["pos-7.77_393.3208","lithocholic acid","C24H40O3","HMDB0000717","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-9.783_139.98786","acetylphosphate","C2H5O5P","HMDB0001494","Organic acids and derivatives","Organic phosphoric acids and derivatives"]
["pos-1.252_147.05261","glutamic acid","C5H9NO4","HMDB0000148","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.841_176.05401","allantoate","C4H8N4O4","HMDB0001209","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-3.31_181.07348","l-tyrosine","C9H11NO3","HMDB0000158","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-0.869_214.13111","dethiobiotin","C10H18N2O3","HMDB0003581","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.241_225.06324","4-amino-4-deoxychorismate","C10H11NO5"]
["pos-0.821_274.1268","n2-succinyl-l-arginine","C10H18N4O5"]
["pos-0.796_131.05777","(s)-4-amino-5-oxopentanoate","C5H9NO3"]
["pos-1.405_463.07316","adenylosuccinic acid","C14H18N5O11P","HMDB0000536","Benzenoids","Benzene and substituted derivatives"]
["pos-7.28_324.22905","corticosterone","C21H30O4","HMDB0001547","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-0.954_167.98189","3-phosphonopyruvate","C3H5O6P"]
["pos-7.788_286.2287","arachidonic acid","C20H32O2","HMDB0001043","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-0.882_189.06321","aminodhq","C7H11NO5"]
["pos-1.489_178.06257","coniferylaldehyde","C10H10O3","HMDB0141782","Benzenoids","Phenols"]
["pos-3.974_205.07317","5-methoxyindoleacetate","C11H11NO3","HMDB0004096","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-0.678_111.07932","histamine","C5H9N3","HMDB0000870","Organic nitrogen compounds","Organonitrogen compounds"]
["pos-1.836_260.06787","khellin","C14H12O5"]
["pos-4.192_152.11976","(-)-trans-carveol","C10H16O","HMDB0003450","Lipids and lipid-like molecules","Prenol lipids"]
["pos-4.106_214.13122","dethiobiotin","C10H18N2O3","HMDB0003581","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-2.944_150.03144","phenylglyoxylic acid","C8H6O3","HMDB0001587","Benzenoids","Benzene and substituted derivatives"]
["pos-3.347_206.05741","sinapinic acid","C11H12O5","HMDB0032616","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-1.57_180.04176","2-hydroxy-3-(4-hydroxyphenyl)propenoate","C9H8O4","HMDB0006915","Benzenoids","Benzene and substituted derivatives"]
["pos-7.595_371.33881","lithocholic acid","C24H40O3","HMDB0000717","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-9.724_183.97748","3-phosphonooxypyruvate","C3H5O7P","HMDB0001024","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.805_165.04547","l-methionine sulfoxide","C5H11NO3S","HMDB0002005","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.254_126.00783","2-hydroxyethylphosphonate","C2H7O4P"]
["pos-0.797_111.04351","cytosine","C4H5N3O","HMDB0000630","Organoheterocyclic compounds","Diazines"]
["pos-8.69_306.2549","8z,11z,14z-eicosatrienoic acid","C20H34O2","HMDB0002925","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-1.975_179.0803","7-aminomethyl-7-deazaguanine","C7H9N5O","HMDB0011690","Organoheterocyclic compounds","Pyrrolopyrimidines"]
["pos-3.782_178.06262","coniferylaldehyde","C10H10O3","HMDB0141782","Benzenoids","Phenols"]
["pos-3.808_178.06256","coniferylaldehyde","C10H10O3","HMDB0141782","Benzenoids","Phenols"]
["pos-1.245_179.08027","glucosamine","C6H13NO5","HMDB0001514","Organic oxygen compounds","Organooxygen compounds"]
["pos-1.501_238.0947","felbamate","C11H14N2O4","HMDB0015084","Benzenoids","Benzene and substituted derivatives"]
["pos-1.326_268.08014","inosine","C10H12N4O5","HMDB0000195","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["pos-5.565_92.0623","toluene","C7H8","HMDB0034168","Benzenoids","Benzene and substituted derivatives"]
["pos-7.595_393.32081","lithocholic acid","C24H40O3","HMDB0000717","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-3.193_174.07884","indole-3-acetaldoxime","C10H10N2O"]
["pos-4.164_302.07829","hesperetin","C16H14O6","HMDB0005782","Phenylpropanoids and polyketides","Flavonoids"]
["pos-3.772_386.11965","1-o-sinapoyl-beta-d-glucose","C17H22O10"]
["pos-0.864_216.11035","gamma-glutamyl-gamma-aminobutyraldehyde","C9H16N2O4"]
["pos-3.416_184.07324","3-methoxy-4-hydroxyphenylethyleneglycol","C9H12O4","HMDB0001490","Benzenoids","Phenols"]
["pos-5.302_368.25523","cortol","C21H36O5","HMDB0003180","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-1.258_216.11039","gamma-glutamyl-gamma-aminobutyraldehyde","C9H16N2O4"]
["pos-1.257_132.04212","(s)-2-acetolactate","C5H8O4","HMDB0006855","Organic acids and derivatives","Keto acids and derivatives"]
["pos-9.789_169.9977","(2r)-2-hydroxy-3-(phosphonooxy)-propanal","C3H7O6P","HMDB0001112","Organic oxygen compounds","Organooxygen compounds"]
["pos-0.867_179.08018","1-amino-1-deoxy-scyllo-inositol","C6H13NO5"]
["pos-5.433_206.0574","sinapinic acid","C11H12O5","HMDB0032616","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-2.078_236.07897","l-formylkynurenine","C11H12N2O4","HMDB0060485","Organic oxygen compounds","Organooxygen compounds"]
["pos-4.193_134.10916","p-cymene","C10H14","HMDB0005805","Lipids and lipid-like molecules","Prenol lipids"]
["pos-3.148_90.03151","(r)-lactate","C3H6O3","HMDB0001311","Organic acids and derivatives","Hydroxy acids and derivatives"]
["pos-0.677_217.14202","gamma-l-glutamylputrescine","C9H19N3O3","HMDB0012230","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-2.889_145.1576","spermidine","C7H19N3","HMDB0001257","Organic nitrogen compounds","Organonitrogen compounds"]
["pos-8.841_178.06247","coniferylaldehyde","C10H10O3","HMDB0141782","Benzenoids","Phenols"]
["pos-6.777_368.25515","cortol","C21H36O5","HMDB0003180","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-9.69_70.05292","beta-aminopropionitrile","C3H6N2","HMDB0004101","Organic nitrogen compounds","Organonitrogen compounds"]
["pos-3.976_289.0789","n-succinyl-2-l-amino-6-oxoheptanedioate","C11H15NO8","HMDB0012266","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-3.388_178.06255","coniferylaldehyde","C10H10O3","HMDB0141782","Benzenoids","Phenols"]
["pos-5.374_148.08843","cuminaldehyde","C10H12O","HMDB0002214","Lipids and lipid-like molecules","Prenol lipids"]
["pos-1.26_145.08564","4-guanidinobutanoate","C5H11N3O2","HMDB0003464","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-8.059_290.22368","5伪-dihydrotestosterone","C19H30O2","HMDB0002961","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-8.238_346.21094","corticosterone","C21H30O4","HMDB0001547","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-0.865_226.09449","porphobilinogen","C10H14N2O4","HMDB0000245","Organic nitrogen compounds","Organonitrogen compounds"]
["pos-4.672_132.05727","cinnamaldehyde","C9H8O","HMDB0003441","Phenylpropanoids and polyketides","Cinnamaldehydes"]
["pos-2.056_92.06235","toluene","C7H8","HMDB0034168","Benzenoids","Benzene and substituted derivatives"]
["pos-3.884_232.12071","melatonin","C13H16N2O2","HMDB0001389","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-3.926_210.05239","5-hydroxyferulate","C10H10O5","HMDB0035484","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-4.013_149.04735","(s)-4-hydroxymandelonitrile","C8H7NO2","HMDB0060318","Benzenoids","Phenols"]
["pos-1.428_189.0632","aminodhq","C7H11NO5"]
["pos-0.951_607.08025","udp-n-acetyl-d-mannosamine","C17H27N3O17P2","HMDB0013112","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["pos-1.5_149.04733","(s)-4-hydroxymandelonitrile","C8H7NO2","HMDB0060318","Benzenoids","Phenols"]
["pos-1.245_324.03485","3'-ump","C9H13N2O9P","HMDB0060282","Nucleosides, nucleotides, and analogues","Ribonucleoside 3'-phosphates"]
["pos-0.686_297.08865","5'-methylthioadenosine","C11H15N5O3S","HMDB0001173","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides"]
["pos-0.818_323.05105","3'-cmp","C9H14N3O8P","HMDB0240312","Organic oxygen compounds","Organooxygen compounds"]
["pos-1.43_214.13115","dethiobiotin","C10H18N2O3","HMDB0003581","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-5.374_134.1091","p-cymene","C10H14","HMDB0005805","Lipids and lipid-like molecules","Prenol lipids"]
["pos-4.095_132.05727","cinnamaldehyde","C9H8O","HMDB0003441","Phenylpropanoids and polyketides","Cinnamaldehydes"]
["pos-0.777_219.08476","1d-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol","C7H13N3O5"]
["pos-0.839_455.15587","5,10-methenyltetrahydrofolic acid","C20H21N7O6","HMDB0001354","Organoheterocyclic compounds","Pteridines and derivatives"]
["pos-3.603_464.21493","rhizocticin d","C17H33N6O7P"]
["pos-2.486_181.03711","2-methyl-3-hydroxy-5-formylpyridine-4-carboxylate","C8H7NO4","HMDB0006954","Organoheterocyclic compounds","Pyridines and derivatives"]
["pos-1.255_125.05845","5-methylcytosine","C5H7N3O","HMDB0002894","Organoheterocyclic compounds","Diazines"]
["pos-3.546_132.05727","cinnamaldehyde","C9H8O","HMDB0003441","Phenylpropanoids and polyketides","Cinnamaldehydes"]
["pos-5.566_134.0728","chavicol","C9H10O","HMDB0034107","Benzenoids","Phenols"]
["pos-4.191_205.07322","5-methoxyindoleacetate","C11H11NO3","HMDB0004096","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-1.314_238.09464","felbamate","C11H14N2O4","HMDB0015084","Benzenoids","Benzene and substituted derivatives"]
["pos-1.256_383.17983","dihydrozeatin-o-glucoside","C16H25N5O6","HMDB0012214","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.214_145.1099","3-dehydroxycarnitine","C7H15NO2","HMDB0001161","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-1.384_299.07613","d-4'-phosphopantothenate","C9H18NO8P","HMDB0001016","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.255_214.13114","dethiobiotin","C10H18N2O3","HMDB0003581","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-2.944_210.05239","5-hydroxyferulate","C10H10O5","HMDB0035484","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-1.248_270.07301","d-lombricine","C6H15N4O6P"]
["pos-3.179_226.07117","5-acetylamino-6-formylamino-3-methyluracil","C8H10N4O4","HMDB0011105","Organoheterocyclic compounds","Diazines"]
["pos-5.25_368.25515","cortol","C21H36O5","HMDB0003180","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-4.013_133.05249","2-oxindole","C8H7NO","HMDB0061918","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-5.565_106.07794","ethylbenzene","C8H10","HMDB0059905","Benzenoids","Benzene and substituted derivatives"]
["pos-3.656_173.01431","sulfanilic acid","C6H7NO3S"]
["pos-3.975_94.0416","phenol","C6H6O","HMDB0000228","Benzenoids","Phenols"]
["pos-3.836_146.03644","coumarin","C9H6O2","HMDB0001218","Phenylpropanoids and polyketides","Coumarins and derivatives"]
["pos-5.36_146.03643","coumarin","C9H6O2","HMDB0001218","Phenylpropanoids and polyketides","Coumarins and derivatives"]
["pos-0.879_283.09228","guanosine","C10H13N5O5","HMDB0000133","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["pos-3.755_104.06227","styrene","C8H8","HMDB0034240","Benzenoids","Benzene and substituted derivatives"]
["pos-6.755_134.0728","chavicol","C9H10O","HMDB0034107","Benzenoids","Phenols"]
["pos-1.266_426.08652","s-glutathionyl-l-cysteine","C13H22N4O8S2"]
["pos-3.252_226.09485","porphobilinogen","C10H14N2O4","HMDB0000245","Organic nitrogen compounds","Organonitrogen compounds"]
["pos-5.455_330.07293","aflatoxin g2","C17H14O7","HMDB0030475","Phenylpropanoids and polyketides","Coumarins and derivatives"]
["pos-3.243_164.04691","2-coumarate","C9H8O3","HMDB0002641","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-6.755_280.1302","8'-hydroxyabscisate","C15H20O5"]
["pos-4.445_187.12036","8-amino-7-oxononanoate","C9H17NO3","HMDB0240687","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.858_182.05753","(r)-3-(4-hydroxyphenyl)lactate","C9H10O4"]
["pos-4.219_161.08371","indole-3-ethanol","C10H11NO","HMDB0003447","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-7.489_136.12487","(-)-beta-pinene","C10H16","HMDB0036559","Lipids and lipid-like molecules","Prenol lipids"]
["pos-7.145_456.22559","vindoline","C25H32N2O6"]
["pos-0.872_151.04991","guanine","C5H5N5O","HMDB0000132","Organoheterocyclic compounds","Imidazopyrimidines"]
["pos-6.576_352.2214","6-ketoprostaglandin f1伪","C20H34O6","HMDB0002886","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.576_181.07345","l-tyrosine","C9H11NO3","HMDB0000158","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-1.379_379.10396","s-lactoylglutathione","C13H21N3O8S","HMDB0001066","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-3.36_232.1207","melatonin","C13H16N2O2","HMDB0001389","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-3.777_244.17813","n-(6-aminohexanoyl)-6-aminohexanoate","C12H24N2O3"]
["pos-1.488_180.04174","2-hydroxy-3-(4-hydroxyphenyl)propenoate","C9H8O4","HMDB0006915","Benzenoids","Benzene and substituted derivatives"]
["pos-0.866_238.0944","felbamate","C11H14N2O4","HMDB0015084","Benzenoids","Benzene and substituted derivatives"]
["pos-1.256_132.04273","(s)-2-acetolactate","C5H8O4","HMDB0006855","Organic acids and derivatives","Keto acids and derivatives"]
["pos-0.761_297.08853","5'-methylthioadenosine","C11H15N5O3S","HMDB0001173","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides"]
["pos-3.055_215.09383","atrazine","C8H14ClN5","HMDB0041830","Organoheterocyclic compounds","Triazines"]
["pos-8.289_286.22865","11-cis-retinol","C20H30O","HMDB0000305","Lipids and lipid-like molecules","Prenol lipids"]
["pos-4.267_307.08303","glutathione","C10H17N3O6S","HMDB0000125","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-3.844_232.12072","melatonin","C13H16N2O2","HMDB0001389","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-1.44_288.06032","orotidine","C10H12N2O8","HMDB0000788","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides"]
["pos-2.761_205.13089","pantothenol","C9H19NO4","HMDB0004231","Organic oxygen compounds","Organooxygen compounds"]
["pos-7.721_150.10403","(-)-isopiperitenone","C10H14O"]
["pos-3.675_244.17814","n-(6-aminohexanoyl)-6-aminohexanoate","C12H24N2O3"]
["pos-3.676_320.14788","octanoylglucuronide","C14H24O8","HMDB0010347","Organic oxygen compounds","Organooxygen compounds"]
["pos-4.316_144.05718","1-naphthol","C10H8O","HMDB0012138","Benzenoids","Naphthalenes"]
["pos-3.945_182.05754","(r)-3-(4-hydroxyphenyl)lactate","C9H10O4"]
["pos-8.356_184.07299","3-methoxy-4-hydroxyphenylethyleneglycol","C9H12O4","HMDB0001490","Benzenoids","Phenols"]
["pos-3.549_163.06298","3-methyldioxyindole","C9H9NO2","HMDB0004186","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-4.122_250.06173","gamma-glutamylcysteine","C8H14N2O5S","HMDB0001049","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-4.438_182.05751","(r)-3-(4-hydroxyphenyl)lactate","C9H10O4"]
["pos-7.897_286.22876","arachidonic acid","C20H32O2","HMDB0001043","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.967_276.07783","biotin sulfone","C10H16N2O5S","HMDB0004818","Organoheterocyclic compounds","Thienoimidazolidines"]
["pos-3.743_149.04743","(s)-4-hydroxymandelonitrile","C8H7NO2","HMDB0060318","Benzenoids","Phenols"]
["pos-4.374_289.07892","n-succinyl-2-l-amino-6-oxoheptanedioate","C11H15NO8","HMDB0012266","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-3.922_515.29338","taurocholate","C26H45NO7S","HMDB0000036","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-3.516_182.05762","(r)-3-(4-hydroxyphenyl)lactate","C9H10O4"]
["pos-3.058_132.05725","cinnamaldehyde","C9H8O","HMDB0003441","Phenylpropanoids and polyketides","Cinnamaldehydes"]
["pos-2.955_381.16414","o-beta-d-glucopyranosyl-cis-zeatin","C16H23N5O6","HMDB0012203","Lipids and lipid-like molecules","Fatty Acyls"]
["pos-3.867_225.0632","4-amino-4-deoxychorismate","C10H11NO5"]
["pos-3.351_164.04696","2-coumarate","C9H8O3","HMDB0002641","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-3.595_164.04691","2-coumarate","C9H8O3","HMDB0002641","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["pos-7.131_134.10914","p-cymene","C10H14","HMDB0005805","Lipids and lipid-like molecules","Prenol lipids"]
["pos-6.615_357.15584","deacetylcolchicine","C20H23NO5"]
["pos-4.601_544.15691","premithramycin a1","C27H28O12"]
["pos-3.647_465.10497","myrtillin","C21H21O12","HMDB0037997","Phenylpropanoids and polyketides","Flavonoids"]
["pos-3.457_149.04729","(s)-4-hydroxymandelonitrile","C8H7NO2","HMDB0060318","Benzenoids","Phenols"]
["pos-3.678_390.1532","loganin","C17H26O10"]
["pos-5.566_104.06232","styrene","C8H8","HMDB0034240","Benzenoids","Benzene and substituted derivatives"]
["pos-6.308_104.06236","styrene","C8H8","HMDB0034240","Benzenoids","Benzene and substituted derivatives"]
["pos-3.52_244.17812","n-(6-aminohexanoyl)-6-aminohexanoate","C12H24N2O3"]
["pos-3.76_376.13757","loganate","C16H24O10"]
["pos-3.321_343.08962","diboa-glucoside","C14H17NO9","HMDB0033734","Organic oxygen compounds","Organooxygen compounds"]
["pos-5.373_106.07792","ethylbenzene","C8H10","HMDB0059905","Benzenoids","Benzene and substituted derivatives"]
["pos-4.867_144.05716","1-naphthol","C10H8O","HMDB0012138","Benzenoids","Naphthalenes"]
["pos-3.9_175.06296","3-indoleacetic acid","C10H9NO2","HMDB0000197","Organoheterocyclic compounds","Indoles and derivatives"]
["pos-4.184_194.04488","7-carboxy-7-deazaguanine","C7H6N4O3"]
["pos-4.184_121.05251","benzamide","C7H7NO","HMDB0004461","Benzenoids","Benzene and substituted derivatives"]
["pos-4.058_184.07323","3-methoxy-4-hydroxyphenylethyleneglycol","C9H12O4","HMDB0001490","Benzenoids","Phenols"]
["pos-6.597_368.2552","cortol","C21H36O5","HMDB0003180","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["pos-5.433_464.2163","rhizocticin d","C17H33N6O7P"]
["pos-7.487_236.17692","capsidiol","C15H24O2","HMDB0002352","Lipids and lipid-like molecules","Prenol lipids"]
["pos-3.875_385.1494","4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide","C16H23N3O8","HMDB0060383","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-4.834_289.07899","n-succinyl-2-l-amino-6-oxoheptanedioate","C11H15NO8","HMDB0012266","Organic acids and derivatives","Carboxylic acids and derivatives"]
["pos-3.896_276.07787","biotin sulfone","C10H16N2O5S","HMDB0004818","Organoheterocyclic compounds","Thienoimidazolidines"]
["pos-5.447_286.22875","11-cis-retinol","C20H30O","HMDB0000305","Lipids and lipid-like molecules","Prenol lipids"]
["pos-3.618_207.06528","isoniazid pyruvate","C9H9N3O3","HMDB0060664","Organoheterocyclic compounds","Pyridines and derivatives"]
["neg-0.844_342.11559","伪,伪-trehalose","C12H22O11","HMDB0000975","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.954_97.96704","sulfate","H2O4S","HMDB0001448","Homogeneous non-metal compounds","Non-metal oxoanionic compounds"]
["neg-0.825_192.06298","d-(-)-quinic acid","C7H12O6","HMDB0003072","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.825_196.05771","gluconic acid","C6H12O7","HMDB0000625","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.803_260.02913","d-glucose 6-phosphate","C6H13O9P","HMDB0001401","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.089_342.11565","伪,伪-trehalose","C12H22O11","HMDB0000975","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.82_210.07318","sedoheptulose","C7H14O7","HMDB0003219","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.881_146.02105","2-oxoglutaric acid","C5H6O5","HMDB0000208","Organic acids and derivatives","Keto acids and derivatives"]
["neg-0.881_192.02655","citric acid","C6H8O7","HMDB0000094","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.839_194.0421","2-dehydro-d-gluconate","C6H10O7","HMDB0011732","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.917_97.97657","phosphoric acid","H3O4P","HMDB0001429","Homogeneous non-metal compounds","Non-metal oxoanionic compounds"]
["neg-0.813_97.97655","phosphoric acid","H3O4P","HMDB0001429","Homogeneous non-metal compounds","Non-metal oxoanionic compounds"]
["neg-0.798_147.05272","glutamic acid","C5H9NO4","HMDB0000148","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.949_566.05426","uridine 5'-diphosphogalactose","C15H24N2O17P2","HMDB0000302","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-3.61_343.08973","diboa-glucoside","C14H17NO9","HMDB0033734","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.807_230.01864","d-ribulose 5-phosphate","C5H11O8P","HMDB0000618","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.379_118.02631","methylmalonic acid","C4H6O4","HMDB0000202","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.527_276.15827","n-(4-guanidinobutyl)-4-hydroxycinnamide","C14H20N4O2","HMDB0033460","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-0.836_180.06289","d-(+)-galactose","C6H12O6","HMDB0000143","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.08_388.12096","d-(+)-maltose","C12H22O11","HMDB0000163","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.835_166.0472","d-arabinonate","C5H10O6","HMDB0000539","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.913_260.02913","d-glucose 6-phosphate","C6H13O9P","HMDB0001401","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.015_260.02936","d-glucose 6-phosphate","C6H13O9P","HMDB0001401","Organic oxygen compounds","Organooxygen compounds"]
["neg-4.239_164.0469","2-hydroxycinnamic acid","C9H8O3","HMDB0002641","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-0.811_139.98687","acetylphosphate","C2H5O5P","HMDB0001494","Organic acids and derivatives","Organic phosphoric acids and derivatives"]
["neg-0.729_155.06912","l-histidine","C6H9N3O2","HMDB0000177","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.81_97.96704","sulfate","H2O4S","HMDB0001448","Homogeneous non-metal compounds","Non-metal oxoanionic compounds"]
["neg-0.814_169.99749","d-ribulose 5-phosphate","C5H11O8P","HMDB0000618","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.268_244.06904","uridine","C9H12N2O6","HMDB0000296","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides"]
["neg-0.838_238.06843","3-deoxy-d-manno-octulosonate","C8H14O8"]
["neg-0.834_104.01065","malonic acid","C3H4O4","HMDB0000691","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.806_254.06312","d-sedoheptulose 7-phosphate","C7H15O10P","HMDB0001068","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.824_185.99234","2-phospho-d-glycerate","C3H7O7P","HMDB0000362","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.804_566.05425","uridine 5'-diphosphogalactose","C15H24N2O17P2","HMDB0000302","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-0.95_607.08103","udp-n-acetylglucosamine","C17H27N3O17P2","HMDB0000290","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-1.025_116.01064","fumaric acid","C4H4O4","HMDB0000134","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.92_139.98692","acetylphosphate","C2H5O5P","HMDB0001494","Organic acids and derivatives","Organic phosphoric acids and derivatives"]
["neg-0.882_112.01571","2-furoate","C5H4O3","HMDB0000617","Organoheterocyclic compounds","Furans"]
["neg-0.915_230.01864","d-ribulose 5-phosphate","C5H11O8P","HMDB0000618","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.905_194.04211","2-dehydro-d-gluconate","C6H10O7","HMDB0011732","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.269_129.04222","4-oxoproline","C5H7NO3"]
["neg-3.446_374.12097","secologanate","C16H22O10"]
["neg-0.923_111.99219","hydroxymethylphosphonate","CH5O4P"]
["neg-0.786_180.06291","1d-chiro-inositol","C6H12O6","HMDB0240209","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.884_116.01063","fumaric acid","C4H4O4","HMDB0000134","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-2.068_165.07849","l-phenylalanine","C9H11NO2","HMDB0000159","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.95_536.04366","udp-apiose","C14H22N2O16P2","HMDB0012301","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-1.265_130.02628","citraconic acid","C5H6O4","HMDB0000634","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-4.239_120.05717","phenylacetaldehyde","C8H8O","HMDB0006236","Benzenoids","Benzene and substituted derivatives"]
["neg-0.937_339.99542","d-fructose 1,6-bisphosphate","C6H14O12P2","HMDB0001058","Organic oxygen compounds","Organooxygen compounds"]
["neg-4.142_210.05236","5-hydroxyferulate","C10H10O5","HMDB0035484","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-0.781_105.04231","d-serine","C3H7NO3","HMDB0003406","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.172_116.0106","fumaric acid","C4H4O4","HMDB0000134","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.32_116.01063","fumaric acid","C4H4O4","HMDB0000134","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.031_72.02084","acrylic acid","C3H4O2","HMDB0031647","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.318_283.09118","guanosine","C10H13N5O5","HMDB0000133","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["neg-3.983_181.04961","phosphinothricin","C5H12NO4P"]
["neg-0.794_129.04231","1-pyrroline-4-hydroxy-2-carboxylate","C5H7NO3","HMDB0002234","Organoheterocyclic compounds","Pyrrolines"]
["neg-0.924_185.99239","2-phospho-d-glycerate","C3H7O7P","HMDB0000362","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.985_146.02111","2-oxoglutaric acid","C5H6O5","HMDB0000208","Organic acids and derivatives","Keto acids and derivatives"]
["neg-1.032_118.02633","methylmalonic acid","C4H6O4","HMDB0000202","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.305_267.09637","adenosine","C10H13N5O4","HMDB0000050","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["neg-0.911_244.03432","d-sedoheptulose 7-phosphate","C7H15O10P","HMDB0001068","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.832_132.04183","(s)-2-acetolactate","C5H8O4","HMDB0006855","Organic acids and derivatives","Keto acids and derivatives"]
["neg-0.941_605.07721","gdp-alpha-d-mannose","C16H25N5O16P2","HMDB0001163","Nucleosides, nucleotides, and analogues","Purine nucleotides"]
["neg-3.6_176.068","2-isopropylmalic acid","C7H12O5","HMDB0000402","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-0.824_88.01568","pyruvic acid","C3H4O3","HMDB0000243","Organic acids and derivatives","Keto acids and derivatives"]
["neg-1.265_204.02646","oxaloglutarate","C7H8O7"]
["neg-3.983_166.0261","terephthalic acid","C8H6O4","HMDB0002428","Benzenoids","Benzene and substituted derivatives"]
["neg-0.907_290.03979","d-sedoheptulose 7-phosphate","C7H15O10P","HMDB0001068","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.916_169.99745","d-ribulose 5-phosphate","C5H11O8P","HMDB0000618","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.265_612.15146","oxidized glutathione","C20H32N6O12S2","HMDB0003337","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.877_306.07573","oxidized glutathione","C20H32N6O12S2","HMDB0003337","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.877_612.15142","oxidized glutathione","C20H32N6O12S2","HMDB0003337","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.789_215.0554","sn-glycero-3-phosphoethanolamine","C5H14NO6P","HMDB0000114","Lipids and lipid-like molecules","Glycerophospholipids"]
["neg-3.589_374.12086","secologanate","C16H22O10"]
["neg-0.802_426.08749","s-glutathionyl-l-cysteine","C13H22N4O8S2"]
["neg-1.264_102.03137","succinic semialdehyde","C4H6O3","HMDB0001259","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-3.763_166.0261","phthalic acid","C8H6O4","HMDB0002107","Benzenoids","Benzene and substituted derivatives"]
["neg-0.886_244.069","uridine","C9H12N2O6","HMDB0000296","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides"]
["neg-0.879_204.02652","oxaloglutarate","C7H8O7"]
["neg-8.611_272.23478","16-hydroxyhexadecanoic acid","C16H32O3","HMDB0006294","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-0.804_607.08105","udp-n-acetyl-d-mannosamine","C17H27N3O17P2","HMDB0013112","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-4.146_386.12103","1-o-sinapoyl-beta-d-glucose","C17H22O10"]
["neg-4.392_224.06801","sinapinic acid","C11H12O5","HMDB0032616","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-1.296_135.05418","adenine","C5H5N5","HMDB0000034","Organoheterocyclic compounds","Imidazopyrimidines"]
["neg-0.874_167.98183","3-phosphonopyruvate","C3H5O6P"]
["neg-3.153_374.12086","secologanate","C16H22O10"]
["neg-0.95_167.98186","3-phosphonopyruvate","C3H5O6P"]
["neg-0.786_132.0531","3-ureidopropionic acid","C4H8N2O3","HMDB0000026","Organic acids and derivatives","Organic carbonic acids and derivatives"]
["neg-0.826_72.02084","methylglyoxal","C3H4O2","HMDB0001167","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.884_120.04193","succinic semialdehyde","C4H6O3","HMDB0001259","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-4.405_194.05742","ferulic acid","C10H10O4","HMDB0000954","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-1.266_174.01594","cis-aconitic acid","C6H6O6","HMDB0000072","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.266_252.08407","2'-deoxyinosine","C10H12N4O4","HMDB0000071","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["neg-0.861_290.03982","d-sedoheptulose 7-phosphate","C7H15O10P","HMDB0001068","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.963_126.00776","2-hydroxyethylphosphonate","C2H7O4P"]
["neg-3.285_120.05718","phenylacetaldehyde","C8H8O","HMDB0006236","Benzenoids","Benzene and substituted derivatives"]
["neg-0.878_352.06365","4-(4-deoxy-alpha-d-gluc-4-enuronosyl)-d-galacturonate","C12H16O12"]
["neg-1.195_76.0158","glycolic acid","C2H4O3","HMDB0000115","Organic acids and derivatives","Hydroxy acids and derivatives"]
["neg-0.767_147.07207","5-methylthiopentanaldoxime","C6H13NOS"]
["neg-1.379_74.03656","(r)-lactaldehyde","C3H6O2","HMDB0006458","Organic oxygen compounds","Organooxygen compounds"]
["neg-4.512_122.0365","benzoic acid","C7H6O2","HMDB0001870","Benzenoids","Benzene and substituted derivatives"]
["neg-0.886_129.04223","4-oxoproline","C5H7NO3"]
["neg-3.26_311.10015","dhurrin","C14H17NO7","HMDB0060471","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.404_130.02625","citraconic acid","C5H6O4","HMDB0000634","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-6.436_294.18284","[6]-gingerol","C17H26O4","HMDB0005783","Benzenoids","Phenols"]
["neg-1.33_268.08042","inosine","C10H12N4O5","HMDB0000195","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["neg-0.793_276.1316","saccharopine","C11H20N2O6","HMDB0000279","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.983_138.0313","2,5-dihydroxybenzaldehyde","C7H6O3","HMDB0004062","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.523_182.05747","(r)-3-(4-hydroxyphenyl)lactate","C9H10O4"]
["neg-1.269_88.01569","pyruvic acid","C3H4O3","HMDB0000243","Organic acids and derivatives","Keto acids and derivatives"]
["neg-2.019_242.08994","thymidine","C10H14N2O5","HMDB0000273","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides"]
["neg-0.876_162.01597","4-hydroxy-2-oxoglutarate","C5H6O6","HMDB0002070","Organic acids and derivatives","Keto acids and derivatives"]
["neg-0.769_148.07455","mevalonic acid","C6H12O4","HMDB0000227","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-0.796_103.06299","gamma-aminobutyric acid","C4H9NO2","HMDB0000112","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.793_322.13714","2'-deamino-2'-hydroxy-6'-dehydroparomamine","C12H22N2O8"]
["neg-0.879_498.10855","bis-gamma-glutamylcystine","C16H26N4O10S2","HMDB0038458","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.805_536.04366","udp-apiose","C14H22N2O16P2","HMDB0012301","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-0.853_125.99831","2-hydroxyethanesulfonate","C2H6O4S","HMDB0003903","Organic acids and derivatives","Organic sulfonic acids and derivatives"]
["neg-0.816_131.02239","2-oxosuccinamate","C4H5NO4","HMDB0060350","Organic acids and derivatives","Keto acids and derivatives"]
["neg-0.952_550.05938","udp-l-rhamnose","C15H24N2O16P2","HMDB0012305","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-1.525_164.04694","2-coumarate","C9H8O3","HMDB0002641","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-1.388_101.04743","1-aminocyclopropane-1-carboxylate","C4H7NO2","HMDB0036458","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.887_166.02613","phthalic acid","C8H6O4","HMDB0002107","Benzenoids","Benzene and substituted derivatives"]
["neg-1.896_332.07402","1-o-galloyl-beta-d-glucose","C13H16O10","HMDB0038728","Phenylpropanoids and polyketides","Tannins"]
["neg-4.197_207.08908","n-acetyl-l-phenylalanine","C11H13NO3","HMDB0000512","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.161_473.1654","10-formyltetrahydrofolate","C20H23N7O7","HMDB0000972","Organoheterocyclic compounds","Dithiolanes"]
["neg-0.927_125.99829","2-hydroxyethanesulfonate","C2H6O4S","HMDB0003903","Organic acids and derivatives","Organic sulfonic acids and derivatives"]
["neg-1.405_86.03656","diacetyl","C4H6O2","HMDB0003407","Organic oxygen compounds","Organooxygen compounds"]
["neg-3.815_180.04183","caffeic acid","C9H8O4","HMDB0001964","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-7.046_280.23962","linoleic acid","C18H32O2","HMDB0000673","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-3.959_386.12087","1-o-sinapoyl-beta-d-glucose","C17H22O10"]
["neg-5.434_250.06199","gamma-glutamylcysteine","C8H14N2O5S","HMDB0001049","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.26_164.0469","2-hydroxycinnamic acid","C9H8O3","HMDB0002641","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-1.322_72.02091","acrylic acid","C3H4O2","HMDB0031647","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-4.053_187.12041","8-amino-7-oxononanoate","C9H17NO3","HMDB0240687","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-3.736_278.12964","pantetheine","C11H22N2O4S","HMDB0003426","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.271_181.07346","l-tyrosine","C9H11NO3","HMDB0000158","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.249_174.0523","(2s)-2-isopropyl-3-oxosuccinate","C7H10O5","HMDB0012149","Organic acids and derivatives","Keto acids and derivatives"]
["neg-0.806_454.0721","1-(5'-phosphoribosyl)-5-amino-4-(n-succinocarboxamide)-imidazole","C13H19N4O12P","HMDB0000797","Nucleosides, nucleotides, and analogues","Imidazole ribonucleosides and ribonucleotides"]
["neg-4.146_132.07832","6-hydroxycaproic acid","C6H12O3","HMDB0012843","Organic acids and derivatives","Hydroxy acids and derivatives"]
["neg-1.417_131.09426","l-isoleucine","C6H13NO2","HMDB0000172","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.796_150.01871","l-(+)-tartaric acid","C4H6O6","HMDB0000956","Organic oxygen compounds","Organooxygen compounds"]
["neg-4.202_312.12066","nivalenol","C15H20O7","HMDB0004304","Lipids and lipid-like molecules","Prenol lipids"]
["neg-1.406_463.07371","adenylosuccinic acid","C14H18N5O11P","HMDB0000536","Benzenoids","Benzene and substituted derivatives"]
["neg-1.394_299.07651","d-4'-phosphopantothenate","C9H18NO8P","HMDB0001016","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.756_386.12104","1-o-sinapoyl-beta-d-glucose","C17H22O10"]
["neg-0.969_580.03341","udp-d-galacturonate","C15H22N2O18P2","HMDB0012302","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-1.352_324.0242","5-o-(1-carboxyvinyl)-3-phosphoshikimate","C10H13O10P"]
["neg-1.557_276.07763","biotin sulfone","C10H16N2O5S","HMDB0004818","Organoheterocyclic compounds","Thienoimidazolidines"]
["neg-1.022_164.04686","2-coumarate","C9H8O3","HMDB0002641","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-0.88_126.00778","2-hydroxyethylphosphonate","C2H7O4P"]
["neg-1.539_268.08041","inosine","C10H12N4O5","HMDB0000195","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["neg-0.802_258.01383","2-dehydro-3-deoxy-6-phospho-d-gluconate","C6H11O9P","HMDB0001376","Organic acids and derivatives","Keto acids and derivatives"]
["neg-0.877_250.06189","gamma-glutamylcysteine","C8H14N2O5S","HMDB0001049","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.729_160.03668","2-formylglutarate","C6H8O5"]
["neg-2.075_181.07346","l-tyrosine","C9H11NO3","HMDB0000158","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.522_92.06234","toluene","C7H8","HMDB0034168","Benzenoids","Benzene and substituted derivatives"]
["neg-0.885_174.05235","(2s)-2-isopropyl-3-oxosuccinate","C7H10O5","HMDB0012149","Organic acids and derivatives","Keto acids and derivatives"]
["neg-3.652_194.05742","ferulic acid","C10H10O4","HMDB0000954","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-1.027_74.03657","(r)-lactaldehyde","C3H6O2","HMDB0006458","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.267_122.00346","3-mercaptolactate","C3H6O3S","HMDB0002127","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.932_388.00714","dudp","C9H14N2O11P2","HMDB0001000","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-1.387_187.04757","2-(acetamidomethylene)succinate","C7H9NO5"]
["neg-0.78_219.08497","1d-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol","C7H13N3O5"]
["neg-4.095_132.07832","6-hydroxycaproic acid","C6H12O3","HMDB0012843","Organic acids and derivatives","Hydroxy acids and derivatives"]
["neg-3.047_154.02624","gentisic acid","C7H6O4","HMDB0000152","Benzenoids","Benzene and substituted derivatives"]
["neg-1.17_72.02095","acrylic acid","C3H4O2","HMDB0031647","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.527_120.05717","phenylacetaldehyde","C8H8O","HMDB0006236","Benzenoids","Benzene and substituted derivatives"]
["neg-1.382_219.07377","o-succinyl-l-homoserine","C8H13NO6"]
["neg-3.77_160.07312","pimelic acid","C7H12O4","HMDB0000857","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-1.682_374.12081","secologanate","C16H22O10"]
["neg-1.522_635.08704","gdp-d-glycero-alpha-d-manno-heptose","C17H27N5O17P2"]
["neg-5.479_302.07859","hesperetin","C16H14O6","HMDB0005782","Phenylpropanoids and polyketides","Flavonoids"]
["neg-0.886_156.0054","2,5-furandicarboxylic acid","C6H4O5","HMDB0004812","Organoheterocyclic compounds","Furans"]
["neg-1.376_274.0087","1-phospho-alpha-d-galacturonate","C6H11O10P"]
["neg-4.663_148.05203","trans-cinnamic acid","C9H8O2","HMDB0000930","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-3.207_163.06296","3-methyldioxyindole","C9H9NO2","HMDB0004186","Organoheterocyclic compounds","Indoles and derivatives"]
["neg-1.303_231.07381","n-acetyl-l-2-amino-6-oxopimelate","C9H13NO6"]
["neg-3.286_360.14048","7-deoxyloganate","C16H24O9"]
["neg-1.265_250.06189","gamma-glutamylcysteine","C8H14N2O5S","HMDB0001049","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.214_180.04183","caffeic acid","C9H8O4","HMDB0001964","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-5.424_464.21712","rhizocticin d","C17H33N6O7P"]
["neg-5.486_332.25587","phloionolic acid","C18H36O5","HMDB0034295","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-7.277_256.23979","palmitic acid","C16H32O2","HMDB0000220","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-3.368_785.15677","flavin adenine dinucleotide","C27H33N9O15P2","HMDB0001248","Nucleosides, nucleotides, and analogues","Flavin nucleotides"]
["neg-1.267_152.03298","xanthine","C5H4N4O2","HMDB0000292","Organoheterocyclic compounds","Imidazopyrimidines"]
["neg-2.374_168.04176","3,4-dihydroxyphenylacetic acid","C8H8O4","HMDB0001336","Benzenoids","Phenols"]
["neg-0.794_115.02661","maleamate","C4H5NO3"]
["neg-3.376_129.04226","4-oxoproline","C5H7NO3"]
["neg-0.795_259.04521","d-glucosamine 6-phosphate","C6H14NO8P","HMDB0001254","Organic oxygen compounds","Organooxygen compounds"]
["neg-3.627_180.06288","1d-chiro-inositol","C6H12O6","HMDB0240209","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.919_454.07178","1-(5'-phosphoribosyl)-5-amino-4-(n-succinocarboxamide)-imidazole","C13H19N4O12P","HMDB0000797","Nucleosides, nucleotides, and analogues","Imidazole ribonucleosides and ribonucleotides"]
["neg-1.362_338.05131","1-(5-phosphoribosyl)imidazole-4-acetate","C10H15N2O9P","HMDB0006032","Organic oxygen compounds","Organooxygen compounds"]
["neg-3.578_132.07829","6-hydroxycaproic acid","C6H12O3","HMDB0012843","Organic acids and derivatives","Hydroxy acids and derivatives"]
["neg-3.647_150.03128","phenylglyoxylic acid","C8H6O3","HMDB0001587","Benzenoids","Benzene and substituted derivatives"]
["neg-1.238_352.06372","4-(4-deoxy-alpha-d-gluc-4-enuronosyl)-d-galacturonate","C12H16O12"]
["neg-4.154_150.01874","l-(+)-tartaric acid","C4H6O6","HMDB0000956","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.023_92.06236","toluene","C7H8","HMDB0034168","Benzenoids","Benzene and substituted derivatives"]
["neg-4.651_132.07832","6-hydroxycaproic acid","C6H12O3","HMDB0012843","Organic acids and derivatives","Hydroxy acids and derivatives"]
["neg-1.418_267.09636","deoxyguanosine","C10H13N5O4","HMDB0000085","Nucleosides, nucleotides, and analogues","Purine nucleosides"]
["neg-0.806_274.00833","1-phospho-alpha-d-galacturonate","C6H11O10P"]
["neg-3.388_482.25246","11-beta-hydroxyandrosterone-3-glucuronide","C25H38O9","HMDB0010351","Organoheterocyclic compounds","Indoles and derivatives"]
["neg-3.424_194.05742","ferulic acid","C10H10O4","HMDB0000954","Phenylpropanoids and polyketides","Cinnamic acids and derivatives"]
["neg-2.988_154.02624","gentisic acid","C7H6O4","HMDB0000152","Benzenoids","Benzene and substituted derivatives"]
["neg-1.264_541.06049","cyclic adp-ribose","C15H21N5O13P2"]
["neg-1.411_89.04746","beta-alanine","C3H7NO2","HMDB0000056","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.227_605.07677","gdp-alpha-d-mannose","C16H25N5O16P2","HMDB0001163","Nucleosides, nucleotides, and analogues","Purine nucleotides"]
["neg-5.369_178.0625","coniferylaldehyde","C10H10O3","HMDB0141782","Benzenoids","Phenols"]
["neg-3.083_120.05717","phenylacetaldehyde","C8H8O","HMDB0006236","Benzenoids","Benzene and substituted derivatives"]
["neg-4.017_430.0637","cmp-2-aminoethylphosphonate","C11H20N4O10P2","HMDB0060067","Organic oxygen compounds","Organooxygen compounds"]
["neg-1.438_104.04712","(r)-3-hydroxybutanoate","C4H8O3","HMDB0000011","Organic acids and derivatives","Hydroxy acids and derivatives"]
["neg-1.398_158.06866","4-methylene-l-glutamine","C6H10N2O3"]
["neg-3.752_181.04962","phosphinothricin","C5H12NO4P"]
["neg-0.882_181.07348","l-tyrosine","C9H11NO3","HMDB0000158","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-0.897_167.0266","6-thioguanine","C5H5N5S","HMDB0014496","Organoheterocyclic compounds","Imidazopyrimidines"]
["neg-1.266_548.08022","dtdp-6-deoxy-l-mannose","C16H26N2O15P2","HMDB0006354","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides"]
["neg-5.435_129.04225","4-oxoproline","C5H7NO3"]
["neg-4.716_150.01875","l-(+)-tartaric acid","C4H6O6","HMDB0000956","Organic oxygen compounds","Organooxygen compounds"]
["neg-3.747_129.04228","1-pyrroline-4-hydroxy-2-carboxylate","C5H7NO3","HMDB0002234","Organoheterocyclic compounds","Pyrrolines"]
["neg-1.318_151.04898","guanine","C5H5N5O","HMDB0000132","Organoheterocyclic compounds","Imidazopyrimidines"]
["neg-4.185_190.08374","(r)-3-((r)-3-hydroxybutanoyloxy)butanoate","C8H14O5"]
["neg-0.724_111.07945","histamine","C5H9N3","HMDB0000870","Organic nitrogen compounds","Organonitrogen compounds"]
["neg-2.996_190.08373","(r)-3-((r)-3-hydroxybutanoyloxy)butanoate","C8H14O5"]
["neg-3.02_300.08415","4-(beta-d-glucosyloxy)benzoate","C13H16O8"]
["neg-5.098_250.06199","gamma-glutamylcysteine","C8H14N2O5S","HMDB0001049","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.782_149.08371","cathinone","C9H11NO"]
["neg-1.267_338.05136","1-(5-phosphoribosyl)imidazole-4-acetate","C10H15N2O9P","HMDB0006032","Organic oxygen compounds","Organooxygen compounds"]
["neg-0.888_219.07382","o-succinyl-l-homoserine","C8H13NO6"]
["neg-5.758_332.25578","phloionolic acid","C18H36O5","HMDB0034295","Lipids and lipid-like molecules","Fatty Acyls"]
["neg-1.245_568.16786","sn38 glucuronide","C28H28N2O11","HMDB0060511","Alkaloids and derivatives","Camptothecins"]
["neg-6.087_532.30646","5beta-cyprinolsulfate","C27H48O8S","HMDB0006888","Lipids and lipid-like molecules","Steroids and steroid derivatives"]
["neg-1.27_160.03674","2-formylglutarate","C6H8O5"]
["neg-3.564_278.12965","pantetheine","C11H22N2O4S","HMDB0003426","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.285_135.05417","adenine","C5H5N5","HMDB0000034","Organoheterocyclic compounds","Imidazopyrimidines"]
["neg-4.15_372.14165","syringin","C17H24O9"]
["neg-0.893_231.07382","n-acetyl-l-2-amino-6-oxopimelate","C9H13NO6"]
["neg-1.295_258.08479","(1-ribosylimidazole)-4-acetate","C10H14N2O6","HMDB0002331","Nucleosides, nucleotides, and analogues","Imidazole ribonucleosides and ribonucleotides"]
["neg-3.609_109.05249","4-aminophenol","C6H7NO","HMDB0001169","Benzenoids","Benzene and substituted derivatives"]
["neg-3.946_131.09427","l-isoleucine","C6H13NO2","HMDB0000172","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-1.266_743.07539","nicotinamide adenine dinucleotide phosphate","C21H28N7O17P3","HMDB0000217","Nucleosides, nucleotides, and analogues","(5'->5')-dinucleotides"]
["neg-3.531_129.04228","4-oxoproline","C5H7NO3"]
["neg-4.445_181.04961","phosphinothricin","C5H12NO4P"]
["neg-5.211_464.21708","rhizocticin d","C17H33N6O7P"]
["neg-4.399_386.12116","1-o-sinapoyl-beta-d-glucose","C17H22O10"]
["neg-4.391_209.04462","n-acetyldemethylphosphinothricin","C6H12NO5P"]
["neg-4.324_250.06206","gamma-glutamylcysteine","C8H14N2O5S","HMDB0001049","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-4.513_116.01065","fumaric acid","C4H4O4","HMDB0000134","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-3.573_712.27571","124-1","C37H44O14"]
["neg-3.88_385.14985","4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide","C16H23N3O8","HMDB0060383","Organic acids and derivatives","Carboxylic acids and derivatives"]
["neg-4.239_180.04178","2-hydroxy-3-(4-hydroxyphenyl)propenoate","C9H8O4","HMDB0006915","Benzenoids","Benzene and substituted derivatives"]
["neg-4.435_372.14137","syringin","C17H24O9"]

{"sheet":"S7","index":6,"n_rows":4,"n_cols":4,"rows_kept":4,"flags":["formulas_cached_only"]}
["Table S7. The number of Differentially accumulated metabolites in young embryos infected with Agrobacterium tumefaciens"]
["Comparison","All DEMs (no.)","Upaccumulated metabolites(no.)","Downaccumulated metabolites(no.)"]
["T1 vs. CK1",248,154,94]
["T2 vs. CK2",304,175,129]

{"sheet":"S8","index":7,"n_rows":250,"n_cols":14,"rows_kept":250,"flags":["formulas_cached_only"]}
["Table S8. Differentially accumulated metabolites between CK1 and T1"]
["ID","CK1_1","CK1_2","CK1_3","CK1_4","CK1_5","CK1_6","T1_1","T1_2","T1_3","T1_4","T1_5","T1_6","regulated"]
["neg-0.824_88.01568",43195329.89,56836199.19,64863104.56,56302943.18,58364014.47,45320362.74,25384415.38,20920147.7,22207292.69,22626660.21,23243439.32,23562703.82,"down"]
["neg-0.798_147.05272",423823698.2,276722191.9,473232037.3,248448422.8,190927655.2,248810136.7,525742423.3,100439486.6,46925218.5,38009001.85,21529123.72,34596246.88,"down"]
["neg-0.985_146.02111",26928564.15,27432324.09,74166707.82,22504320.44,24802483.26,19993289.85,42784828.58,8088834.706,2677550.417,2513221.368,1932703.135,2525926.722,"down"]
["neg-1.296_135.05418",39882380.27,41725415.81,29354601.46,46908052.23,31146035.01,39381506.79,11544381,17006591.44,13881149.15,24362085.03,20149480.05,19604738.14,"down"]
["neg-1.305_267.09637",67312476.32,74665661.28,52321248.9,88948530.33,55592697.45,68935784.41,19376542.46,30733506.35,26687948.78,43929562.82,38229236.42,36004976.22,"down"]
["pos-0.868_267.09595",544565080.1,543709852,483904752.3,587350121.9,428131508.2,467430429.8,165493135.4,209021434.1,183682866.3,249344225.5,275874526,201318597.9,"down"]
["neg-0.884_120.04193",17354354.97,21329497.84,36980076.93,15259269.32,21883116.92,20472682.09,13712825.67,7887309.386,7634097.357,6810698.847,6078479.487,5490429.417,"down"]
["neg-1.264_102.03137",26236620.01,20625204.25,42132649.87,21792631.61,22374533.98,19212580.52,28919095.58,11379628.59,12257532.25,7507817.053,6565159.685,6170948.087,"down"]
["neg-1.33_268.08042",20024748.17,28959571.23,33966655.47,25975954.56,24813270.01,21226874.48,12729770.88,7213002.41,8934424.41,10576067.81,9248070.221,7448198.468,"down"]
["pos-1.326_268.08014",4658565.854,7917950.804,9195066.128,6708119.594,6443159.82,4094833.115,2733186.34,1686274.106,2034188.987,2252536.876,1964640.736,2238067.723,"down"]
["neg-0.886_244.069",57715870.11,55443585.78,53137580.56,56805900.7,57682508.72,50648051.22,23899922.23,25961013.96,25233523.26,28811916.66,26751440.75,27764840.05,"down"]
["pos-2.889_145.1576",1333762.969,1434153.044,1841576.295,1824511.898,1235443.638,1104333.801,519146.1344,392344.3705,445746.9599,333584.7372,400731.0046,335910.8371,"down"]
["pos-0.903_526.14967",33018708.44,53378080.7,45288100.65,29180412.15,40848410.29,27635899.05,20800137.1,9456367.847,12046658.44,10847846.72,9959154.885,16425582.89,"down"]
["pos-1.238_526.14969",16657028.24,13909951.2,17892418.69,17126645.36,23370538.5,18238308.77,11619141.44,8305678.482,7113568,4983088.085,9442369.606,8453830.98,"down"]
["neg-5.098_250.06199",1945863.596,2237565.958,2080339.142,1979931.883,1791109.124,1860962.483,675391.1245,875196.6752,814483.9117,747093.3227,860208.5607,705107.6888,"down"]
["pos-0.79_105.04214",1125337931,975138445.4,1121485038,920565141.9,875051736.7,848932256.4,452969329.5,302073217.6,282383854.2,277354373.6,264423034,268899521.1,"down"]
["neg-0.835_166.0472",239784648.5,226961456.7,238289669.9,213367663.9,214325247.1,201103324.5,127549496.1,111466907.1,95895757.12,100229082,93515629.08,95936025.58,"down"]
["neg-3.796_150.01871",1461211.696,1898944.643,1217274.724,1225392.096,2112831.348,1686884.003,40303.37889,191713.2182,54520.14744,80047.30569,100084.3225,126165.0162,"down"]
["neg-4.154_150.01874",44197.57462,93427.55048,22243.15517,61629.7736,34605.24733,81022.65478,21634.42548,21764.31865,18264.39679,18531.98991,19192.3967,18459.51369,"down"]
["neg-4.716_150.01875",37143.81277,30415.41664,13579.20024,19116.87369,28005.2725,34201.23548,13011.10098,16839.47055,9528.67742,11500.37398,8392.843279,14157.2292,"down"]
["neg-0.787_128.05824",43406672.86,36234023.3,38336289.22,30716247.75,30206718.39,31276871.14,12558829.2,9433469.951,8212820.14,8568241.813,8429315.276,7773343.107,"down"]
["pos-3.252_226.09485",482064.2826,474610.891,568867.6899,536935.1018,492553.4544,516962.719,199145.9697,304249.4395,237218.9598,219572.3975,280847.7093,231678.3549,"down"]
["neg-3.861_282.10757",819289.4731,1106977.873,1310709.271,1204654.156,1186908.668,1023257.876,468197.5998,417175.0716,404252.0726,387196.2238,363443.6594,402296.8892,"down"]
["pos-0.828_182.0795",2079589.501,1972484.746,1993440.648,2347388.693,2810765.196,2376925.775,969434.8123,1138173.73,1105160.689,1368856.91,765772.6527,948109.4724,"down"]
["pos-3.844_232.12072",1336058.808,1160631.885,1201655.493,1506440.852,1068017.39,1547043.831,379948.6843,115023.0948,539357.1496,654314.9282,608986.3504,599484.2191,"down"]
["neg-3.796_165.04222",2174361.762,2542636.056,1747321.485,1808698.25,2882042.315,2354626.519,266381.6927,203960.2987,93189.12106,135015.4551,151064.7738,203749.4685,"down"]
["pos-3.787_165.04223",6376565.397,7666428.945,5550249.045,5607708.645,10349414.66,6893453.438,396187.0342,1451902.512,736796.3495,752140.0197,1012900.979,725853.8274,"down"]
["neg-9.345_300.26587",4835227.09,4802851.1,4133176.779,5651663.769,4793610.904,4064853.933,2085078.306,1996120.47,2283240.494,2564629.695,2574694.352,2236208.527,"down"]
["pos-0.853_471.15166",3580048.673,3071251.611,3690087.82,2857974.863,2214995.746,3147845.908,936486.1309,620641.3961,962320.3645,978449.9026,803695.8631,714743.2431,"down"]
["neg-0.879_498.10855",14841640.62,10996671.7,13666744.17,10337255.58,10688391.7,12356259.62,3236528.269,1925448.259,2140024.408,2492521.186,2673453.595,2126075.214,"down"]
["pos-0.87_498.10794",14941673.6,18911623.25,17638738.94,14515265,15447579.57,14499641.06,2155242.285,1703969.498,2557990.044,2568863.808,2045761.32,1913011.675,"down"]
["neg-0.843_504.16845",730137770.7,601766589,679320474.9,512945355.4,568569557.1,596901377.7,326743763.1,207582452.8,209368464.7,191982261,170494793.8,175383618.8,"down"]
["neg-1.247_504.16864",216871710.1,213907155.7,204924435.9,190617143.9,190240693.3,195222254.3,91506800.3,79972446,67784718.62,86043940.86,73360633.85,71480583.98,"down"]
["pos-4.438_182.05751",2366511.644,1909020.714,492037.394,2000819.022,810112.8067,548849.6771,77175.31703,367880.6785,226143.9261,593468.4189,682558.7153,774025.0523,"down"]
["pos-1.26_167.05757",2279007.399,2193786.33,2055760.26,2212510.916,2736407.47,2317677.581,820578.4433,1162497.937,1132387.196,1034440.693,872403.5703,1030187.925,"down"]
["pos-4.183_378.0791",208867.5553,218825.2991,236628.6925,165976.9402,382280.806,359349.558,20277.69882,74809.14912,17948.33103,17339.80946,38834.70002,59628.71466,"down"]
["neg-0.794_129.04231",74737667.9,53731361.87,86304269.17,50855150.19,43148705.48,48289106.03,78868308.21,18893222.6,9533474.889,9571149.081,5693339.609,8386520.717,"down"]
["neg-0.815_221.08933",14706782.27,8658012.583,10004796.39,7358255.64,7732230.926,8833969.542,7849099.152,4218164.624,3980193.809,4177035.335,3539533.237,3607172.658,"down"]
["neg-0.927_125.99829",10658949.66,8512007.104,8169198.864,9884060.363,7320493.835,8190351.22,4967965.227,3854047.455,3623323.992,4173329.081,3389928.096,3824153.221,"down"]
["pos-0.815_258.08419",110978795.6,119117426.9,105658915.1,122817605.1,114747149,125247263.5,49197204.76,39301688.88,37023106.39,38719068.57,37438992.29,37386802.56,"down"]
["pos-0.813_275.11084",107771427.9,116324603.7,102360437.8,119989409.2,111775585,122209808.8,32501110.31,28952963.35,30748362.11,32951026.72,31003052.13,32230018.37,"down"]
["neg-0.786_303.1425",4037466.006,3564799.32,3825774.653,3050107.399,3538059.674,3692612.69,1701939.927,853832.7557,649049.1959,723541.3563,489799.3811,598867.2301,"down"]
["pos-0.78_303.14197",23052464.21,22524252.41,25261960.91,20012166.33,18805279.47,22243370,9978783.276,6233785.797,5399340.652,5659904.146,5457071.063,4805320.769,"down"]
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{"sheet":"S9","index":8,"n_rows":306,"n_cols":14,"rows_kept":306,"flags":["formulas_cached_only"]}
["Table S9. Differentially accumulated metabolites between CK2 and T2"]
["ID","CK2_1","CK2_2","CK2_3","CK2_4","CK2_5","CK2_6","T2_1","T2_2","T2_3","T2_4","T2_5","T2_6","regulated"]
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