#METABOLOMICS WORKBENCH yxw_524521_20240928_015545 DATATRACK_ID:5243 STUDY_ID:ST003539 ANALYSIS_ID:AN005811 PROJECT_ID:PR002177 VERSION 1 CREATED_ON October 17, 2024, 10:59 pm #PROJECT PR:PROJECT_TITLE Metabolomic analysis of fluorescent hairy roots overexpressing the Gretchen PR:PROJECT_TITLE Hagen 3 genes enhancing soybean resistance to cyst nematodes PR:PROJECT_SUMMARY Soybean root samples were collected, target metabolites were extracted, standard PR:PROJECT_SUMMARY curves were established, methodology verification was performed, LC-MS/MS PR:PROJECT_SUMMARY metabolites were detected, and data were analyzed.Metabolome analysis was PR:PROJECT_SUMMARY conducted on FHRs overexpressing these genes to investigate how plant hormones PR:PROJECT_SUMMARY play a role in soybean resistance to SCN. These results provide a new framework PR:PROJECT_SUMMARY for understanding the interaction between soybean and SCN. PR:INSTITUTE Shenyang Agricultural University PR:LAST_NAME Yang PR:FIRST_NAME Xiaowen PR:ADDRESS College of Plant Protection PR:EMAIL 2020200130@stu.syau.edu.cn PR:PHONE 15702428682 #STUDY ST:STUDY_TITLE Metabolomic analysis of fluorescent hairy roots overexpressing the Gretchen ST:STUDY_TITLE Hagen 3_1 genes enhancing soybean resistance to cyst nematodes ST:STUDY_SUMMARY The Gretchen Hagen 3 genes maintain endogenous hormone homeostasis by ST:STUDY_SUMMARY conjugating excess hormones with amino acids. Herein, we identified the members ST:STUDY_SUMMARY of the GH3 family in soybeans and analyzed their phylogeny, gene duplication, ST:STUDY_SUMMARY structure, domains, conserved motifs, cis-elements in promoter regions for ST:STUDY_SUMMARY stress responses, and functional characteristics. We found that GH3 genes are ST:STUDY_SUMMARY induced by pathogens in Group-II. Furthermore, 8 out of 16 Group-II genes ST:STUDY_SUMMARY responded to cyst nematode infection. Through functional analysis of eight GmGH3 ST:STUDY_SUMMARY genes via overexpression, they play a negative role in soybean resistance to ST:STUDY_SUMMARY cyst nematode. In addition, our metabolomic analysis showed that overexpression ST:STUDY_SUMMARY of Glyma.02G125600, Glyma.17G165500, and Glyma.13G284600 affected the content of ST:STUDY_SUMMARY salicylic acid and jasmonic acid. Our findings clarify the functional features ST:STUDY_SUMMARY of GH3 genes and reveal their involvement in plant hormone signaling pathways. ST:STUDY_SUMMARY This provides valuable insights into the complex molecular mechanisms underlying ST:STUDY_SUMMARY the interaction between soybeans and cyst nematode. ST:INSTITUTE Shenyang Agricultural University ST:LAST_NAME yang ST:FIRST_NAME wen ST:ADDRESS College of Plant Protection ST:EMAIL 2020200130@stu.syau.edu.cn ST:PHONE 15702428682 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Glycine max SU:TAXONOMY_ID 3847 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - CK-1 Sample source:Plant root | Phenotype:control RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - CK-2 Sample source:Plant root | Phenotype:control RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - CK-3 Sample source:Plant root | Phenotype:control RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - CK-4 Sample source:Plant root | Phenotype:control RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - CK-5 Sample source:Plant root | Phenotype:control RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - CK-6 Sample source:Plant root | Phenotype:control RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_1-1 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_1-2 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_1-3 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_1-4 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_1-5 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_1-6 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- #COLLECTION CO:COLLECTION_SUMMARY Liquid nitrogen grinding samples, weighing a certain amount of samples into mass CO:COLLECTION_SUMMARY spectrometry water, vortex mixing, as diluted samples; Take a dilution sample of CO:COLLECTION_SUMMARY 100μL and add 400 μL precipitator (acetonitrile: Water =1:1), vortex mixing, CO:COLLECTION_SUMMARY extraction at 4 ° C for 30 min, centrifugation at 12000 rpm and 4 ° C for 10 CO:COLLECTION_SUMMARY min, taking 300μL supernatant slowly through the extraction column, adding 500 CO:COLLECTION_SUMMARY μL eluent (30% acetonitrile), slowly through the extraction column, mixing the CO:COLLECTION_SUMMARY two times of flow solution, LC-MS analysis. CO:SAMPLE_TYPE Roots #TREATMENT TR:TREATMENT_SUMMARY Take a dilution sample of 100μL and add 400 μL precipitator (acetonitrile: TR:TREATMENT_SUMMARY Water =1:1), vortex mixing, extraction at 4 ° C for 30 min, centrifugation at TR:TREATMENT_SUMMARY 12000 rpm and 4 ° C for 10 min, taking 300μL supernatant slowly through the TR:TREATMENT_SUMMARY extraction column, adding 500 μL eluent (30% acetonitrile), slowly through the TR:TREATMENT_SUMMARY extraction column, mixing the two times of flow solution, LC-MS analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Take a dilution sample of 100μL and add 400 μL precipitator (acetonitrile: SP:SAMPLEPREP_SUMMARY Water =1:1), vortex mixing, extraction at 4 ° C for 30 min, centrifugation at SP:SAMPLEPREP_SUMMARY 12000 rpm and 4 ° C for 10 min, taking 300μL supernatant slowly through the SP:SAMPLEPREP_SUMMARY extraction column, adding 500 μL eluent (30% acetonitrile), slowly through the SP:SAMPLEPREP_SUMMARY extraction column, mixing the two times of flow solution, LC-MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME AB Sciex QTRAP 6500+ CH:COLUMN_NAME Agilent Zorbax Eclipse Plus C18 (100 x 2.1mm, 1.8 um) CH:SOLVENT_A 5mM Ammonium Acetate Aqueous Solution (Adjusted to pH 4.5 with Acetic Acid) CH:SOLVENT_B Acetonitrile CH:FLOW_GRADIENT The initial proportion of mobile phase B is set at 15%, which then linearly CH:FLOW_GRADIENT increases at a rate of 0.8% per minute until it reaches 45%, where it is held CH:FLOW_GRADIENT for 5 minutes to adequately elute moderately polar metabolites. Afterward, it CH:FLOW_GRADIENT increases at a rate of 2% per minute up to 90%, and finally remains at this CH:FLOW_GRADIENT composition for an additional 5 minutes to clean the chromatographic column and CH:FLOW_GRADIENT collect less polar metabolites. CH:FLOW_RATE 0.35ml/min CH:COLUMN_TEMPERATURE 35 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME AB Sciex QTRAP 6500+ MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS The concentration series of the standard solution were detected by LC-MS, and MS:MS_COMMENTS the ratio of the concentration of the standard product to the internal standard MS:MS_COMMENTS was taken as the horizontal coordinate and the ratio of the peak area of the MS:MS_COMMENTS standard product to the internal standard was taken as the vertical coordinate MS:MS_COMMENTS to investigate the linearity of the standard solution. QC samples were tested by MS:MS_COMMENTS inserting a number of needles at intervals in each batch of samples. The RSD of MS:MS_COMMENTS all QC samples was calculated with the concentration of the standard substance MS:MS_COMMENTS to evaluate stability. According to the established sample pretreatment and MS:MS_COMMENTS instrumental analysis methods, all samples were quantitatively analyzed. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples CK-1 CK-2 CK-3 CK-4 CK-5 CK-6 GH3_1-1 GH3_1-2 GH3_1-3 GH3_1-4 GH3_1-5 GH3_1-6 Factors Sample source:Plant root | Phenotype:control Sample source:Plant root | Phenotype:control Sample source:Plant root | Phenotype:control Sample source:Plant root | Phenotype:control Sample source:Plant root | Phenotype:control Sample source:Plant root | Phenotype:control Sample source:Plant root | Phenotype:transgene Sample source:Plant root | Phenotype:transgene Sample source:Plant root | Phenotype:transgene Sample source:Plant root | Phenotype:transgene Sample source:Plant root | Phenotype:transgene Sample source:Plant root | Phenotype:transgene Uridine 6094000 7686000 4217000 6064000 6282000 5238000 8825000 9230000 11740000 6352100 5729000 11750000 Cytidine 12980000 16550000 10360000 11630000 19200000 17860000 16400000 27820000 38600000 32550000 14240000 46450000 4-Methylumbelliferone 17194 18428 15070 26790 22692 18652 9093 5071 17328 11350 17681 17509 Colchicine 42460 54280 64200 64040 62840 54190 63260 42360 34150 34850 15610 17370 Ademetionine 34570 53460 24950 21050 22900 41720 102400 65270 56940 49340 40860 51030 Uracil 3353000 3483000 2478000 2670000 3454000 2862000 4314000 4800000 4915000 3105400 2744000 6435000 Glycine 70050 54070 39400 57630 31790 36440 148800 99890 176500 51430 85440 143500 H-Gly-Pro-OH 79420 153000 86270 89150 105000 96850 147800 179200 120700 105000 144500 148100 delta-Hexanolactone 1818000 2983000 2551000 3200000 2528000 4592000 2267000 2177000 1892000 1943000 1930000 1235000 4-Acetamidobutyric Acid 277600 295700 155000 432800 460500 215900 444800 441100 362600 454800 448800 558100 N-Acetyl-L-leucine 23500000 17960000 18650000 22140000 19670000 19720000 25850000 22490000 24000000 29020000 22990000 42770000 2-Hydroxy-6-Aminopurine 1152000 953900 555600 226600 728200 362500 1850000 1763000 978100 1040000 544100 3150000 1-Monopalmitin 70280 63460 63250 47680 46750 44260 36060 24150 46090 59590 37170 26440 dUDP 130400 188900 180700 203500 116000 168000 95460 109400 50220 133100 140200 60140 Tetraethylammonium fluoride 5446000 6756000 4607000 3076000 6323000 6163000 7351000 9361000 9525000 11190000 5393000 14010000 Nε-(1-Carboxymethyl)-L-lysine 70090 74430 55370 39830 78350 35660 122500 117700 110400 63220 56820 92480 L-Saccharopine 601200 877200 502100 515900 646400 678000 770200 939000 931600 784900 631700 932600 Asp-glu 152000 183800 143800 146400 191200 151000 227300 242800 285000 188300 251000 261900 D-Pyroglutamic acid 1697000 2032000 928200 4738100 1401000 1113000 12520000 8811000 8171000 6605000 9859000 12190000 methyl oxo pentanoate 80050 129800 112400 97320 148900 137100 73970 49630 22260 66180 44400 45220 Trimethylamine N-oxide 19710 43350 21510 17140 25910 30080 45140 58280 79030 20030 41300 66460 1-Methylguanosine 36830 36410 16560 13530 28920 23900 35610 40310 46310 34311 26830 62000 dCMP 39440 39150 32380 31210 25800 48260 107200 59990 38730 42720 54270 110200 dGMP 5831 6858 4472 9969 6349 10670 15210 21620 20980 7344 12650 12059 Scopine 22750 22690 28640 31340 22590 32720 17940 26250 20140 19180 22300 23350 Deoxyarbutin 58200 112900 132000 110000 89420 63170 206200 170700 232900 184100 97580 207600 Tropine 254300 214900 203010 208180 356420 243900 381100 279410 339100 274200 287510 431000 D-Serine 6389000 7021000 4712000 5450000 5369000 4544000 10120000 7544000 11240000 5382000 5636000 11640000 4-Hydroxymephenytoin 9074 8078 8542 9075 7265 7521 14410 8306 13290 9676 9236 10538 Cinobufagin 18850 16920 22113 25259 26299 23245 60540 21069 50480 23887 48801 58910 MAG (18:1) 5289 5666 3096 2133 2676 7611 26760 6902 16570 9697 4832 4489 Asp-phe 140700 205700 119200 109100 170400 164700 181300 252300 222700 187400 220000 211200 Guanosine monophosphate 74580 116200 119100 49470 44330 78090 271200 276900 92470 75860 94540 306500 trans-Aconitic acid 11440000 13560000 10920000 11340000 12370000 13660000 9499000 9828000 10410000 8958000 10520000 10570000 Peonidin O-hexoside 93500 204000 256800 326600 358700 432000 90010 98920 29570 78730 433100 63380 (-)-Norepinephrine N-hexoside 827200 929100 1426000 1484000 1359000 1880000 565000 608900 457400 551000 1387000 608600 Chinese bittersweet alkaloid II 30970 22630 26570 28310 44560 17780 143500 81530 47660 36760 34150 120000 Luteolin O-malonylhexoside 1561000 982700 1744000 1734000 1707000 3994000 1385000 147500 444900 311900 3477000 91230 N1-Acetylspermine 113200 75630 114100 91520 100700 158700 208400 213000 183800 108200 158900 203700 S-Sulfo-L-cysteine 21620 31730 13520 19090 15010 22320 26010 30450 39820 23990 22600 33090 L-Dihydroorotic acid 16680000 15530000 14920000 11640000 11670000 15350000 16240000 17550000 17220000 21150000 19920000 27120000 Histamine 3559000 6257000 4055000 4788000 4598000 6486000 6452000 7946000 11540000 5432000 5539000 9883000 Auramine 123500 119100 91090 149400 106700 109500 69500 83230 64740 87390 91410 78910 Tricetin O-malonylhexoside 64220 79800 60230 111500 104600 156100 52170 47910 38970 37260 119800 32160 D-Threose 40000 56060 240610 23610 31140 47020 573000 645800 488900 515000 742800 568900 Petunidin 3-O-glucoside 817300 825000 447800 1235000 1147000 766800 453200 355900 393800 900500 276500 593700 4-Methylaminobutyrate 1844000 2050000 1961000 1675000 1789000 941600 2259000 2473000 2325000 2034000 2599000 2056000 Isomangiferin 125900 122200 126900 205200 26870 180800 367400 320300 293600 625400 173800 436400 L-2-Aminoadipic acid 220300 281500 169500 242100 312600 189900 378900 310600 254100 219100 438500 373700 L-Leucyl-L-phenylalanine 44020 65060 42910 42780 42420 51960 78550 65250 58370 65080 68460 52250 Elemol 16260000 18560000 17410000 18740000 15620000 21620000 11780000 12310000 12500000 11820000 11060000 12100000 D-Panthenol 9249 5553 7784 16770 9812 12390 75860 60410 49680 30900 42290 54250 Genistein 27100000 25280000 24260000 16390000 36550000 37020000 18590000 20690000 19970000 13820000 19640000 15510000 Luteolin 69670 77740 69950 126500 145200 154800 26090 64180 22840 31020 123800 23090 Diosmetin 1303000 2183000 3104000 4108000 5233000 6153000 296000 926100 210500 276000 4493000 63760 Daphnetin 6973 5736 8339 8059 4851 9855 5311 6164 2698 4086 5452 4295 Orcinol glucoside 454700 440600 497600 422500 428700 367100 380100 342400 360500 374600 336900 328700 Dulcitol 34240 22480 25890 44270 31360 26980 68570 39240 99780 43100 102300 25320 Salicylic acid 38000 19620 18650 33310 71900 68270 352400 176100 260800 178100 307700 259800 3'-Hydroxyflavone 20140 24780 18950 23080 23820 21940 29120 25310 23180 35640 29080 24750 3,4-Dihydroxyphenylacetic acid 46110 37480 52120 60490 75290 48120 39810 39350 41960 46350 38150 28470 2-Hydroxybutyric acid 74090 64150 106900 131100 115500 109900 23090 62630 63100 63750 36270 53900 Terephthalic acid 122900 100100 96430 112900 124700 83740 198300 104100 130300 156500 104800 182100 Isovitexin 26160 13110 14380 9169 10640 11646 11810 6877 11000 9179 5515 4450 Scutellarein 42610 58140 57800 55130 66770 82290 31510 39320 26130 24780 65440 24590 Engeletin 33710 40600 46480 31460 71320 59810 12020 25390 13740 8209 34540 20890 Calceolarioside B 52110 41010 52460 76590 50560 82960 52950 36590 39160 25760 29620 37260 Sesamoside 8126 26140 25470 27000 29850 30310 5600 12630 2885 2323 43530 2356 cis-Aconitic acid 196800 119000 227900 486500 88810 232400 550100 428000 338000 766500 186000 548500 Citric acid 1601000 1935000 3855000 3362000 467000 3212000 6330000 5496000 3914000 11530000 3618000 6846000 L-Pyroglutamic acid 10520 5925 5886 9160 4749 4817 39890 38370 17700 7855 15720 21090 L-Arabinitol 80980 75090 66190 82260 98040 52920 40590 31220 46230 38850 82220 41330 H-HoArg-OH 4275 8530 7618 5254 9988 10870 4565 5268 5126 4752 6665 3754 N-Acetylornithine 71950 85870 45030 83550 60200 95060 43600 41500 31340 50000 44780 35300 Succinic acid 2790000 2621000 3242000 3558000 2270000 2930000 5456000 3227000 8111000 6333000 2191000 5329000 GA7-1 4997000 3413000 4243000 7283000 6034000 5985000 2571000 1832000 3234000 3137000 2795000 1327000 Jasmonic acid 15660 15680 11140 14450 8748 16750 14250 35040 20530 18310 20760 35480 3-Hydroxybutyrate 5108000 9837000 7455000 9050000 5182000 7603000 2883000 7147000 4770000 4148000 4612000 4523000 Fructose bisphosphate 63850 40470 87170 35900 48470 77460 3951 39400 24570 19580 35880 21950 Lactic acid 24310 80576 33480 18720 19080 16760 142600 124400 145300 122600 157700 344500 9(S)-HOTrE 109700 74970 73710 73360 68410 71970 43580 41460 34480 50540 26550 44310 Sinapoyl malate 6279 6929 8012 8796 17320 14720 3852 3806 6470 7120 6117 5192 4-Hydroxy-2-Oxoglutaric Acid 738000 928800 1059000 906000 735700 1150000 733800 517600 937400 748900 564800 618800 deoxyribose-phosphate 27650 24830 18470 15020 31810 12240 50370 35450 29490 37970 34990 29740 D-Fructose 6-Phosphate 2076000 1004000 2096000 2051000 929600 2946000 1191000 1084000 941300 731200 444300 1227000 D-Glucarate 1734000 2808000 2169000 1883000 2081000 1854000 3753000 3707000 2380000 3791000 6476000 7013000 Dl-Glutamic acid 423500 728300 478700 433300 628000 450500 520900 385600 347700 374700 367800 361500 Lysope 16:0 1019 1357 1542 11859 916 12243 19470 5057 6387 9668 10647 6489 Mevalonic acid 289700 296500 289700 299400 293000 289100 236000 239400 255400 226000 247000 235200 Echinocystic acid 6130 4591 9186 7822 16300 8248 3479 4372 5178 3048 3696 2890 Methyl protocatechuate 97430 131400 73890 128000 144400 238400 52500 65130 31580 43910 101100 39350 L-Rhamnose 65750 73180 49430 50100 56810 49320 99820 71180 97960 83390 84100 84920 Propylparaben 5530 16700 8998 20650 13950 20370 5121 4759 2666 5369 5468 6863 Ferulic acid methyl ester 8524 8646 13050 8604 9507 9127 8217 5450 8347 7106 4379 8296 Calycosin 10000000 13270000 16440000 20210000 28670000 33970000 3702000 4403000 768000 1768000 27920000 541700 Shogaol 393600 402400 373800 402100 400600 375700 301800 312900 321500 301100 333400 318400 beta-L-Arabinose 3779000 5497000 6042000 5479000 8553000 4996000 2437000 3225000 3319000 2654000 6621000 3014000 Hastatoside 13960 13150 22730 49370 25020 41750 8942 5275 5478 4277 26600 5455 Eriodictyol 13420 13310 14700 7802 8770 17250 4439 9321 7441 3106 4828 9633 Choline bitartrate 715200 848900 885600 737700 1118000 682400 494800 441900 427700 353400 1017000 541000 D-Ribose 237200 384800 399000 420300 556800 259300 185100 246600 244600 202200 402400 164700 Apigenin 4-O-rhamnoside 4983 6083 6260 10870 13480 14870 5331 6379 2702 4346 5477 2950 Apigenin 2160000 2113000 2048000 1614000 3070000 3067000 1713000 1568000 1707000 1130000 1849000 1451000 Fisetin 143600 154200 177200 98000 131900 272100 105200 85870 103900 118400 133300 104700 Genistin 195300 186700 137900 130500 110600 184300 110800 77700 141300 60420 45700 88610 Kaempferol 20050 23420 23460 21580 47700 33890 16420 17690 19900 10600 13170 23190 Peonidin chloride 16210 18090 19660 15590 15030 17930 12880 7534 13470 10940 8416 10030 Luteolin 7-O-glucoside 179700 131700 200700 200100 213800 259400 184100 129800 117600 103800 183600 137200 Rhein 18430 125800 16530 20770 6028 10320 12638 2722 3537 4777 8853 3335 Ribulose-5-phosphate 521800 197500 354600 394300 291300 283800 191500 213500 200400 275100 197300 241600 Acetyl tryptophan 52560 69340 62810 106700 136900 105300 39850 27900 25750 19130 132700 24440 Myristoleic acid 66340 60090 69940 383000 98870 118600 34490 49700 34120 33690 36520 45120 9,10-EODE 11400 10090 8180 9903 8511 9191 4235 1666 7889 9064 6317 6771 9(S)-HpOTrE 91670 117500 80910 87620 86410 86080 67160 82060 49310 55450 72870 87520 12,13-EODE 1533000 1192000 1138000 1281000 1191000 1390000 477200 574400 593000 710400 453900 505100 13-HPODE 45170 53040 37030 41230 41140 45630 26440 21490 32320 30520 21610 26070 Gallic acid O-Hexoside 101000 45220 137800 44850 152800 120700 28010 35600 9152 39000 61080 11000 Pelargonidin O-acetylhexoside 600500 449200 421500 489300 1053000 1096000 516200 132200 345700 326900 549500 208600 5-O-p-coumaroyl quinic acid O-hexoside 7899 7410 7863 7848 5363 14290 5672 3418 4930 2839 9170 2443 Salicylic acid O-glucoside 206000 192200 238700 230200 369000 225300 193500 192400 140500 173300 202200 211800 Di-O-methylquercetin 3976000 4209000 3465000 5737000 4259000 4568000 2060000 2188000 2227000 2286000 2112000 2046000 Kaempferol 3-O-robinobioside 23300 21120 51330 28980 14320 29190 12630 15750 16895 12913 17620 14467 Isohemiphloin 31190 45760 28940 8135 23930 34020 14650 12710 6976 10720 24000 12730 L(-)-Malic acid 34650000 25990000 43090000 37600000 28490000 33730000 53720000 48430000 51780000 74050000 32590000 47720000 N-[(-)-Jasmonoyl]-(L)-Isoleucine 5824 4585 4546 3109 5053 4893 3736 10130 14550 8299 6704 13530 5-oxoproline 21860 5258 7279 10790 12250 4513 59430 31300 38880 23390 50600 44790 2'-Hydroxydaidzein 1077000 1234000 703000 1243000 1894000 1916000 398800 406200 388200 518200 1036000 218000 Trifolin 140300 120900 107300 132100 121000 144500 66460 78780 59250 61280 71130 54310 2'-Hydroxygenistein 1362000 1827000 1808000 2833000 3350000 3873000 355600 1502000 497900 492400 2522000 264200 D-Xylose 53560 46580 95460 82310 104300 59690 46970 40360 41330 20200 73660 50020 Fmoc-Ile-OH 35010 30980 38170 35500 8051 28290 12664 12552 15260 9285 5121 2513 Rhein 8-Glucoside 17490 14900 16630 20710 16450 33280 10700 7660 9683 4135 14150 9628 4'-Hydroxyacetophenone 6784 2717 12780 6079 10330 7082 10490 11950 12600 10380 15610 14060 Mannitol 22360 18560 17640 21080 25210 17820 60020 22950 49740 40310 53370 15600 Crocetin 62110 45540 45920 71240 60950 49030 29340 45240 22500 26810 29810 32390 Coumestrol 57700000 52000000 43270000 63530000 60470000 71340000 33420000 47990000 33030000 39260000 64170000 29140000 D-2-Hydroxypentanedioic acid disodium salt 235100 105200 235900 298000 35040 283100 436900 447100 280500 818500 179300 456700 D-Xylulose 6033000 5531000 5949000 6886000 8330000 5585000 2300000 2920000 3066000 2704000 6444000 2865000 Heptamethoxyflavone 222000 332600 259900 142100 428100 453200 75960 143100 141600 59650 205300 92540 N-[(Tert-butoxy)carbonyl]-L-tryptophan 8693 12100 11840 11220 9951 9522 8046 9634 8473 8925 9010 8217 P-Coumaryl Alcohol 1480000 1272000 1806000 1719000 2344000 1333000 759300 887600 812300 694300 1780000 952800 Physcion 8-O-Beta-D-Monoglucoside 159700 176000 285100 383500 160200 691100 168200 56190 45000 63040 404800 21570 Succinic anhydride 4984000 7020000 7191000 10440000 6492000 11070000 2148000 5410000 4059000 5215000 4575000 4081000 Sapropterin 20640 29260 22970 27360 21590 18550 16390 19260 16740 18490 19980 20680 3-O-p-coumaroyl shikimic acid O-hexoside 14650 10280 7411 8356 6819 14860 4696 5000 6282 2705 7987 5579 2-Oxoadipic acid 93580 145100 121400 141800 63810 116400 45690 66800 42870 59710 31180 64720 p-Coumaric acid-4-O-glucoside 15810 8912 9972 16960 8368 18220 5131 4587 6279 2787 15770 6216 (-)-Jasmonoyl-L-isoleucine 2115 3308 2445 8338 3051 7050 6372 17020 15530 14230 13190 16630 9,10,13-Trihydroxyoctadec-11-enoic acid 5539000 6095000 5018000 7761000 6747000 6660000 3810000 3993000 4736000 4431000 4458000 3954000 Koaburaside 72760 67110 100900 91400 120300 158900 54240 42810 21010 29880 125600 19600 D-Galactaric acid 18260000 17680000 13280000 8222000 9136000 8417000 37580000 14260000 22630000 12250000 25360000 16400000 1-O-Galloyl-D-glucose 36090 26130 28470 28620 64110 50040 17370 17340 15870 13120 30870 10440 N-Acetyl-L-Tryptophan 252100 311000 398700 481700 558500 416700 194100 114400 88380 107400 601200 124500 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name log2(GH3_1/CK) P-value VIP Uridine 0.59 0.025095 1.653199 Cytidine 0.99 0.016749 1.749345 4-Methylumbelliferone -0.6 0.049392 1.355802 Colchicine -0.72 0.02464 1.610552 Ademetionine 0.88 0.010602 1.735965 Uracil 0.52 0.041639 1.527078 Glycine 1.28 0.003456 1.889292 H-Gly-Pro-OH 0.47 0.019789 1.696744 delta-Hexanolactone -0.62 0.022761 1.578508 4-Acetamidobutyric Acid 0.56 0.03007 1.58917 N-Acetyl-L-leucine 0.45 0.0202 1.629638 2-Hydroxy-6-Aminopurine 1.22 0.038877 1.485639 1-Monopalmitin -0.54 0.027348 1.597122 dUDP -0.74 0.015616 1.710602 Tetraethylammonium fluoride 0.81 0.012248 1.775872 Nε-(1-Carboxymethyl)-L-lysine 0.67 0.035638 1.508745 L-Saccharopine 0.38 0.026238 1.661201 Asp-glu 0.58 0.000353 2.178591 D-Pyroglutamic acid 2.28 5.25E-05 2.236563 methyl oxo pentanoate -1.22 0.001067 2.022807 Trimethylamine N-oxide 0.97 0.024037 1.671366 1-Methylguanosine 0.65 0.040158 1.526278 dCMP 0.93 0.017258 1.638396 dGMP 1.02 0.008548 1.800208 Scopine -0.31 0.040637 1.463646 Deoxyarbutin 0.95 0.004665 1.893913 Tropine 0.42 0.02497 1.620115 D-Serine 0.62 0.029718 1.582725 4-Hydroxymephenytoin 0.4 0.021065 1.577019 Cinobufagin 0.99 0.01248 1.728172 MAG (18:1) 1.38 0.037572 1.463881 Asp-phe 0.48 0.008621 1.846648 Guanosine monophosphate 1.21 0.040425 1.461571 trans-Aconitic acid -0.29 0.001729 1.892803 Peonidin O-hexoside -1.07 0.03766 1.481095 (-)-Norepinephrine N-hexoside -0.92 0.007704 1.782661 Chinese bittersweet alkaloid II 1.44 0.010361 1.729776 Luteolin O-malonylhexoside -1 0.043365 1.50341 N1-Acetylspermine 0.71 0.006739 1.782307 S-Sulfo-L-cysteine 0.51 0.033421 1.586285 L-Dihydroorotic acid 0.47 0.008665 1.776113 Histamine 0.65 0.021214 1.717297 Auramine -0.55 0.001352 2.005076 Tricetin O-malonylhexoside -0.81 0.029625 1.531145 D-Threose 3.01 3.02E-05 2.23512 Petunidin 3-O-glucoside -0.81 0.02495 1.538068 4-Methylaminobutyrate 0.42 0.027683 1.534957 Isomangiferin 1.49 0.008757 1.737198 L-2-Aminoadipic acid 0.48 0.046095 1.483402 L-Leucyl-L-phenylalanine 0.42 0.007787 1.791922 Elemol -0.59 1.10E-05 2.273432 D-Panthenol 2.34 8.94E-06 2.287587 Genistein -0.62 0.015799 1.647022 Luteolin -1.14 0.013236 1.694019 Diosmetin -1.81 0.008753 1.780085 Daphnetin -0.64 0.01819 1.711237 Orcinol glucoside -0.29 0.001556 2.038962 Dulcitol 1.03 0.03262 1.480825 Salicylic acid 2.61 2.72E-05 2.266311 3'-Hydroxyflavone 0.33 0.014572 1.699985 3,4-Dihydroxyphenylacetic acid -0.44 0.030941 1.553788 2-Hydroxybutyric acid -0.99 0.005459 1.800754 Terephthalic acid 0.45 0.047415 1.420251 Isovitexin -0.8 0.02963 1.626842 Scutellarein -0.77 0.008408 1.762826 Engeletin -1.3 0.003212 1.871866 Calceolarioside B -0.68 0.010637 1.7549 Sesamoside -1.08 0.029329 1.53927 cis-Aconitic acid 1.05 0.030413 1.488746 Citric acid 1.38 0.014254 1.646386 L-Pyroglutamic acid 1.77 0.002455 1.888622 L-Arabinitol -0.69 0.008754 1.759464 H-HoArg-OH -0.62 0.04065 1.400624 N-Acetylornithine -0.84 0.001659 1.973216 Succinic acid 0.81 0.039026 1.488743 GA7-1 -1.1 0.001569 2.0091 Jasmonic acid 0.8 0.01552 1.696434 3-Hydroxybutyrate -0.65 0.018583 1.581691 Fructose bisphosphate -1.28 0.018579 1.626124 Lactic acid 2.42 0.000102 2.231406 9(S)-HOTrE -0.97 0.00017 2.200953 Sinapoyl malate -0.93 0.013916 1.624432 4-Hydroxy-2-Oxoglutaric Acid -0.42 0.02786 1.530414 deoxyribose-phosphate 0.74 0.008952 1.734839 D-Fructose 6-Phosphate -0.98 0.02389 1.635009 D-Glucarate 1.11 0.002455 1.969088 Dl-Glutamic acid -0.41 0.030689 1.484176 Lysope 16:0 0.99 0.04577 1.431808 Mevalonic acid -0.28 6.79E-07 2.352611 Echinocystic acid -1.2 0.002639 1.918535 Methyl protocatechuate -1.28 0.003134 1.892596 L-Rhamnose 0.59 0.000591 2.089222 Propylparaben -1.51 0.002657 1.865771 Ferulic acid methyl ester -0.45 0.026264 1.560009 Calycosin -1.64 0.009367 1.783955 Shogaol -0.31 1.26E-06 2.332679 beta-L-Arabinose -0.69 0.018433 1.589982 Hastatoside -1.56 0.00686 1.813101 Eriodictyol -0.95 0.01038 1.714374 Choline bitartrate -0.6 0.018423 1.619262 D-Ribose -0.64 0.034337 1.471903 Apigenin 4-O-rhamnoside -1.05 0.015344 1.664465 Apigenin -0.57 0.011398 1.695556 Fisetin -0.58 0.036634 1.490147 Genistin -0.84 0.007963 1.773489 Kaempferol -0.75 0.018099 1.560732 Peonidin chloride -0.69 0.000664 2.062981 Luteolin 7-O-glucoside -0.46 0.032567 1.563425 Rhein -2.46 0.021432 1.60767 Ribulose-5-phosphate -0.63 0.021145 1.704405 Acetyl tryptophan -0.98 0.021067 1.599221 Myristoleic acid -1.77 0.00648 1.800162 9,10-EODE -0.67 0.046421 1.410944 9(S)-HpOTrE -0.4 0.018739 1.60238 12,13-EODE -1.22 1.08E-06 2.368737 13-HPODE -0.73 0.00013 2.147377 Gallic acid O-Hexoside -1.71 0.007135 1.858877 Pelargonidin O-acetylhexoside -0.98 0.030068 1.539652 5-O-p-coumaroyl quinic acid O-hexoside -0.83 0.02386 1.622446 Salicylic acid O-glucoside -0.39 0.044139 1.433712 Di-O-methylquercetin -1.02 1.82E-06 2.332235 Kaempferol 3-O-robinobioside -0.89 0.012479 1.753673 Isohemiphloin -1.07 0.040273 1.478026 L(-)-Malic acid 0.59 0.012125 1.658771 N-[(-)-Jasmonoyl]-(L)-Isoleucine 1.02 0.0176 1.700354 5-oxoproline 2 0.000307 2.079516 2'-Hydroxydaidzein -1.44 0.00212 1.943488 Trifolin -0.96 2.53E-06 2.360063 2'-Hydroxygenistein -1.41 0.009846 1.742314 D-Xylose -0.69 0.043248 1.454798 Fmoc-Ile-OH -1.61 0.010061 1.806299 Rhein 8-Glucoside -1.09 0.003672 1.885114 4'-Hydroxyacetophenone 0.71 0.027118 1.516201 Mannitol 0.98 0.027515 1.513233 Crocetin -0.84 0.000621 2.095711 Coumestrol -0.49 0.023763 1.602303 D-2-Hydroxypentanedioic acid disodium salt 1.13 0.049754 1.350664 D-Xylulose -0.91 0.001597 1.973798 Heptamethoxyflavone -1.35 0.004336 1.820723 N-[(Tert-butoxy)carbonyl]-L-tryptophan -0.27 0.011662 1.682539 P-Coumaryl Alcohol -0.75 0.007247 1.793334 Physcion 8-O-Beta-D-Monoglucoside -1.29 0.032191 1.571472 Succinic anhydride -0.88 0.007235 1.749311 Sapropterin -0.33 0.020689 1.561927 3-O-p-coumaroyl shikimic acid O-hexoside -0.95 0.008492 1.776277 2-Oxoadipic acid -1.13 0.00116 2.00342 p-Coumaric acid-4-O-glucoside -0.94 0.020556 1.637189 (-)-Jasmonoyl-L-isoleucine 1.65 0.001149 2.066499 9,10,13-Trihydroxyoctadec-11-enoic acid -0.57 0.000292 2.085093 Koaburaside -1.06 0.015174 1.711249 D-Galactaric acid 0.77 0.044353 1.401266 1-O-Galloyl-D-glucose -1.15 0.003314 1.908985 N-Acetyl-L-Tryptophan -0.97 0.015872 1.672419 METABOLITES_END #END