#METABOLOMICS WORKBENCH yxw_524521_20240929_111420 DATATRACK_ID:5248 STUDY_ID:ST003541 ANALYSIS_ID:AN005813 PROJECT_ID:PR002177 VERSION 1 CREATED_ON October 17, 2024, 10:57 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_62 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 Xiaowen 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 #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_62-1 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_62-2 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_62-3 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_62-4 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_62-5 Sample source:Plant root | Phenotype:transgene RAW_FILE_NAME(Raw file name)=- SUBJECT_SAMPLE_FACTORS - GH3_62-6 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 Plant 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,1.8um) 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_62-1 GH3_62-2 GH3_62-3 GH3_62-4 GH3_62-5 GH3_62-6 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 Capsaicin 5648 9894 6015 6418 7125 6603 4156 3885 2898 2657 4491 9571 Uridine 6094000 7686000 4217000 6064000 6282000 5238000 9224000 7660000 8065000 5072000 7902000 8445000 Cytidine 12980000 16550000 10360000 11630000 19200000 17860000 45330000 38320000 23290000 13010000 32220000 37940000 Indole-3-acetic acid 76270 160900 64930 53850 66490 66070 45310 25660 31790 21710 29060 62100 Methyl linoleate 57470 63090 36931 47950 53760 45143 70190 62080 61840 58184 53280 88910 SDMA 264900 511000 297400 189600 231100 241500 532400 640100 649800 404600 591200 470500 5-Methylcytidine 174800 269200 195000 160900 200300 231900 321700 383100 343400 138000 373100 334000 Calycosin-7-O-beta-D-glucoside 375300 377100 611600 569400 446600 1621000 96716 239500 379700 315214 103107 98147 Schaftoside 16639 27320 19480 20902 25050 40270 10080 15422 18354 25910 13087 15368 Corylin 169700 575700 134100 184300 520600 588300 39750 94050 156400 146400 29170 67080 Uracil 3353000 3483000 2478000 2670000 3454000 2862000 5452000 3771000 4654000 2664000 3402000 4756000 4-Aminobutyric acid 4171000 8915000 5619000 5280000 13550000 7546000 17980000 12040000 8320000 8471000 9618000 13900000 Glycine 70050 54070 39400 57630 31790 36440 208300 169900 141200 74430 159200 139700 L-Alanine 525700 1160000 652000 1019000 1595000 863900 4286000 2133000 2097000 724500 2143000 3239000 L-arginine 845300 2270000 1021000 1069000 1310000 1117000 4069000 2829000 2590000 1547000 1909000 2450000 L-Hydroxyproline 1081000 900300 761400 680100 561300 610900 1725000 1353000 1499000 923100 879600 1212000 D-Proline 6743000 9821000 5765000 5960000 21190000 7943000 26750000 18790000 12680000 11110000 16450000 17430000 3-Amino-2-methylpropanoic acid 1150000 1531000 1132000 1101000 1950000 1478000 2645000 2163000 1566000 1505000 1603000 1996000 L-serine 1028000 1378000 817300 1003000 842400 815100 2645000 1801000 1994000 1108000 1639000 1818000 D-Phenylalanine 41970000 56930000 27990000 31710000 29630000 27540000 89910000 52090000 77120000 30670000 55550000 68330000 4-Acetamidobutyric Acid 277600 295700 155000 432800 460500 215900 942600 600400 327500 579000 696100 434300 Sattabacin 42380 40250 49080 82870 56250 77640 16050 22860 30290 46010 28410 19970 NG,NG-Dimethyl-L-arginine 300800 426400 397800 295000 335300 189300 640700 616600 702600 291000 521800 476100 N-(2-Hydroxyethyl)iminodiacetic acid 1885000 1218000 2250000 3101000 2511000 2654000 1971000 1436000 1557000 1892000 1002000 1193000 L-Valine 117600 74570 40380 107300 81730 71480 221500 174100 227900 128800 130700 158100 Indole-3-acetamide 18920 40640 33500 47330 40000 24000 96140 56430 56340 46450 60730 73200 dUDP 130400 188900 180700 203500 116000 168000 35480 49580 34840 255100 52580 38080 Diethanolamine 202200 289300 160300 230100 180300 168500 496700 392400 401800 205100 345300 455200 Benzamidine 683100 893500 417400 490900 511900 407300 1471000 834700 1253000 476100 844800 1038000 Tetraethylammonium fluoride 5446000 6756000 4607000 3076000 6323000 6163000 14070000 12120000 6939000 5144000 11640000 9558000 1-Methylhistidine 449500 302100 123100 121700 244700 198200 1035000 402200 561100 208200 1024000 1175000 Spermidine 11750 19080 13270 16780 11890 23090 26870 19080 22590 20190 19780 21350 Sarcosine 1040000 2343000 1346000 2472000 3549000 1505000 9743000 4908000 4141000 1652000 4699000 6966000 R-Aminobutyrate 1125000 2367000 1440000 1360000 2846000 1908000 4567000 2973000 2182000 2164000 2193000 3171000 Purine 53200 72550 40390 41620 39220 31710 118800 68660 103800 42110 76600 84480 Nε-(1-Carboxymethyl)-L-lysine 70090 74430 55370 39830 78350 35660 96000 124300 63180 94330 81010 71060 N2-Acetyl-L-lysine 1.07E+08 1.31E+08 1.17E+08 1.23E+08 92280000 1.5E+08 87340000 77260000 73720000 1.53E+08 67410000 68480000 L-Cystathionine 42910 90820 43240 30940 53490 69720 21160 22390 38670 30630 33580 31620 Proline 4424000 7464000 4124000 4696000 10780000 5413000 13050000 10480000 8710000 7963000 8317000 9840000 D-Pyroglutamic acid 1697000 2032000 928200 4738100 1401000 1113000 16920000 19050000 13530000 4542000 18510000 6784000 methyl oxo pentanoate 80050 129800 112400 97320 148900 137100 82050 81150 75960 80820 89580 40880 2-Deoxy-D-galactose 4274000 5436000 4677000 5089000 3807000 6174000 3560000 3005000 3088000 5872000 3067000 2686000 1-Methylguanosine 36830 36410 16560 13530 28920 23900 59830 59100 63210 17510 54810 52130 Scopine 22750 22690 28640 31340 22590 32720 16130 23200 19360 24740 16910 19160 Allicin 45990 32700 31240 27040 33170 19880 214000 176400 137900 82190 118800 78280 Cephalotaxine 11133 12070 14080 8054 11980 34480 6830 2605 10610 4635 9757 2690 Deoxyarbutin 58200 112900 132000 110000 89420 63170 220900 93300 116400 335300 104500 267100 Tropine 254300 214900 203010 208180 356420 243900 315100 231700 361000 297770 335500 343400 Homoplantaginin 182200 127700 191400 239000 312300 548100 50710 117400 158300 283500 79270 70360 Tabersonine 242600 333800 203200 474700 601400 974100 31860 415400 368500 87820 65030 48250 Aloperine 7873 7236 9446 9516 9533 7409 25320 9217 13450 10960 15310 14050 3-Amino-4-methylpentanoic acid 545300 292400 525800 494200 565000 305500 700600 659000 891900 615800 574300 461400 D-Serine 6389000 7021000 4712000 5450000 5369000 4544000 15070000 10480000 12370000 5755000 10770000 12000000 Xanthopterin 14460 19760 16703 12610 17187 22990 64860 91170 111700 26450 87370 21900 L-Phenylalanine 40580000 56840000 26750000 29190000 28700000 26010000 87660000 48910000 70440000 27570000 52220000 62130000 Alanine 190700 345000 216000 335900 490100 241600 1261000 650900 624900 266000 626100 830100 Indirubin 9606 26930 3357 4406 5280 13540 52520 56060 129000 35351 42590 51600 Pratensein-7-O-glucoside 89760 132100 236100 137700 294300 351100 43340 34800 183900 129900 82530 69040 Trachelogenin 6475 6804 11210 8119 11720 10830 7129 10410 5951 4335 4301 4635 Prim-O-glucosylcimifugin 113500 94080 344700 255900 290400 440200 63790 125200 207800 96190 81420 66490 Vincosamide 5630 2958 3510 3538 5611 5576 13220 13690 8324 9057 6193 12590 Oxymatrine 64120 73000 34790 26490 41150 29010 239600 159700 234400 18350 166400 108100 ladanein 10970 86840 12090 39590 82270 47160 10329 13360 9787 11573 13615 9295 7-methylguanine 8256000 11170000 5352000 6074000 5826000 5110000 17850000 9787000 14860000 5670000 10560000 12240000 5-O-p-Coumaroyl shikimic acid 14380 10120 19580 30880 19970 17460 10220 4804 12740 9277 8049 5447 MAG (18:1) 5289 5666 3096 2133 2676 7611 27030 6621 6750 34680 4443 11500 Diethyl glutarate 1.04E+08 1.27E+08 1.17E+08 1.25E+08 92760000 1.5E+08 85580000 79080000 70710000 1.39E+08 62500000 68450000 Methionine sulfoxide 1179000 682400 841000 563300 366400 324400 2251000 1294000 1628000 588600 1214000 1840000 Methylguanidine 322700 326300 143000 142500 159600 76490 808900 313500 543800 145600 468000 515500 Sissotrin 810800 819200 1484000 1131000 1575000 3494000 66290 873300 1726000 527800 216000 107800 Peonidin O-hexoside 93500 204000 256800 326600 358700 432000 58180 113900 133200 143500 15850 46750 Cyanidin 3-O-malonylhexoside 296000 123400 300500 344200 358500 725500 47450 173400 436300 198600 73580 24220 (-)-Norepinephrine N-hexoside 827200 929100 1426000 1484000 1359000 1880000 429700 895200 797500 973300 876300 509500 1,3-Dimethyluric Acid 33680 41080 47730 43070 51670 42870 58130 54980 66220 49380 41950 50940 1-Methyladenine 82090 145000 79080 76980 77270 56430 207700 125200 154200 75990 172400 141600 2-Methyladenosine 1712000 3067000 1851000 1555000 2413000 2562000 4597000 5612000 5826000 1620000 5249000 3288000 Chinese bittersweet alkaloid II 30970 22630 26570 28310 44560 17780 733400 431300 392800 42280 59700 51780 Chrysoeriol 5-O-hexoside 171200 127700 240700 213800 349400 668200 72550 66970 138800 339100 82700 54400 GDP-L-fucose 14390 11380 10510 26050 8458 15100 11370 4148 2807 14440 3963 5233 IAA-Asp 455000 763100 789800 747100 1168000 1001000 417800 322000 371900 450600 258600 476000 Luteolin O-malonylhexoside 1561000 982700 1744000 1734000 1707000 3994000 179300 821500 2138000 787700 254700 93220 N-p-Coumaroylspermidine 12970 15050 14410 18300 20600 14610 7310 11900 14700 14590 9611 10140 Ononin 19080 37600 39320 25600 24520 23050 23980 17580 18070 17440 21300 21270 Phellodenol H 99110 122800 121700 128400 127000 108400 79480 92310 76660 54100 88630 109800 Quercetin-3,4'-O-di-beta-glucopyranoside 41500 39920 57100 91460 69840 80100 9137 27900 39490 37310 26630 13360 Quercetin 5-O-hexoside 29040 60460 35480 51510 53250 69480 15700 14360 24700 30140 15300 31500 Selgin O-malonylhexoside 122500 149000 121200 78410 66310 235600 169500 247500 168600 208000 155600 172100 Xanthurenic acid O-hexoside 22308 2707 25481 29144 1499 28999 616600 554200 287500 354200 599100 224400 Yamogenin 32150 34450 31880 32840 26760 45590 23530 20960 28690 17240 27700 19680 gamma-Glu-Leu 16330 36860 17190 18510 34240 35550 83780 76900 56170 23430 57170 47170 Chrysoeriol O-malonylhexoside 275500 192500 405400 521900 648700 1206000 66220 133900 217100 511300 93330 51900 D-Threonine 1614000 1275000 694200 707000 676000 391900 3304000 1649000 2588000 577500 2202000 2491000 Auramine 123500 119100 91090 149400 106700 109500 92120 89280 96980 88680 81090 90190 Vanillin 43230 24500 49520 75990 49890 29790 17390 26960 15850 34810 19760 27800 sn-Glycero-3-phosphocholine 241400 367900 198800 365500 422500 267000 275400 114900 141700 176900 155500 305200 Pyridoxine O-glucoside 259700 302800 367800 513600 400200 801900 188400 298200 289700 222000 164900 172500 Chrysoeriol 7-O-hexoside 149400 154900 210900 240800 376300 634200 112800 82870 166300 303300 86580 74400 Tricetin O-malonylhexoside 64220 79800 60230 111500 104600 156100 15150 48230 60990 50240 41980 23830 N-p-Coumaroylputrescine 7170 11540 4535 7367 8137 17200 19320 23090 40060 9103 9556 16130 D-Threose 40000 56060 240610 23610 31140 47020 940400 1168000 721100 406300 1177000 437800 Icariside B2 14060 19360 50390 25230 37210 36450 4994 7974 8729 28190 14270 10650 HBOA 29860000 43470000 20210000 22100000 21690000 19380000 67990000 35230000 52470000 21400000 38650000 46090000 Isohyperoside 38270 41810 32160 54380 79430 70730 24020 52580 33170 43700 22630 22270 Elemol 16260000 18560000 17410000 18740000 15620000 21620000 16510000 14120000 14360000 11960000 14170000 13350000 Luteolin-4'-O-glucoside 113622 194000 130756 182600 270600 288500 92900 126300 95160 258800 67220 48350 N-Feruloyl-3-methoxytyramine 13790 10810 11710 15390 24450 8010 128900 50800 48450 22790 53810 25970 D-Panthenol 9249 5553 7784 16770 9812 12390 13180000 12300000 8560000 3316000 11720000 5301000 Esculin 73980 104200 67310 126100 81590 88800 26000 82010 71490 59280 50840 48050 Luteolin 69670 77740 69950 126500 145200 154800 24340 38620 41710 77130 21690 32410 Diosmetin 1303000 2183000 3104000 4108000 5233000 6153000 28600 704000 1378000 2359000 72420 142000 Daphnetin 6973 5736 8339 8059 4851 9855 3517 4099 2648 7319 4161 4471 Orcinol glucoside 454700 440600 497600 422500 428700 367100 395300 166000 327300 351500 301600 359700 Salicylic acid 38000 19620 18650 33310 71900 68270 166500 204900 163300 69560 194300 77150 DL-Panthenol 5715 3157 21626 6756 4168 28479 3110000 2355000 1713000 616400 2434000 1054000 p-Coumaric Acid 41710 70590 25650 23010 45050 61850 8189 26100 15687 43670 18439 15920 Psoralidin 56890 173200 46810 23900 211600 221600 5436 15610 24830 28270 4332 10260 2-Hydroxybutyric acid 74090 64150 106900 131100 115500 109900 102800 66790 88190 43340 61270 46370 Tartaric acid 326000 387600 482800 506500 623500 346200 224000 270000 324200 319900 214200 252800 Scutellarein 42610 58140 57800 55130 66770 82290 26160 32620 28250 69620 31310 22840 Tectorigenin 2720 7229 8806 14630 19660 22510 4128 2929 3261 6598 3282 4087 Calceolarioside B 52110 41010 52460 76590 50560 82960 19200 21260 25760 15370 18640 18740 Neobavaisoflavone 671100 739400 225800 379300 510300 562400 58310 236600 222600 686900 120600 170400 L-Glutamine 96680 121400 78310 225100 110000 149700 116700 28120 36360 43870 80880 53800 L-Pyroglutamic acid 10520 5925 5886 9160 4749 4817 38050 58100 33910 10830 31110 16740 L-Arabinitol 80980 75090 66190 82260 98040 52920 15440 37080 35860 33190 38080 31930 D-Glucuronic acid 265200 270300 168000 130500 179500 141800 269200 206600 199200 336000 285600 328200 N-Acetylornithine 71950 85870 45030 83550 60200 95060 62540 37390 38060 59360 35900 33080 Creatine 7018 6109 2724 5956 2498 8031 2538 2649 1852 2531 1584 1231 12-OH-JA-Ile-1 14400 4973 4827 5541 7222 5837 4134 2749 3191 2532 4379 2927 GA7-1 4997000 3413000 4243000 7283000 6034000 5985000 3370000 2293000 1848000 4851000 2396000 1559000 Jasmonic acid 15660 15680 11140 14450 8748 16750 28900 21390 15940 13450 19240 21970 Kaempferol7-O-beta-D-glucopyranoside 77510 117100 65180 113200 204000 158600 66710 91090 69550 84610 34840 28900 Lactic acid 24310 80576 33480 18720 19080 16760 257900 198600 435800 109000 507300 179000 9(S)-HOTrE 109700 74970 73710 73360 68410 71970 35840 22430 20140 117000 27080 27280 Sinapoyl malate 6279 6929 8012 8796 17320 14720 6553 5981 5012 5710 5331 6804 4-Methylvaleric Acid 8123 5410 5748 5037 6198 6803 4316 4075 3724 7766 4478 3995 Lysope 16:0 1019 1357 1542 11859 916 12243 29640 4479 6050 9957 8084 20720 O-Phospho-L-Tyrosine 21290 14490 15720 8960 24360 34630 16430 3808 15970 7696 8132 9307 Methyl protocatechuate 97430 131400 73890 128000 144400 238400 29290 32170 46120 180300 27400 33820 Methyl 4-hydroxycinnamate 5601 13440 10770 24700 71390 55380 6664 10375 6742 7708 9256 8842 Oxyresveratrol 197900 529000 220500 349800 228900 331700 170500 182200 170200 228800 146000 138900 3,5-Dimethoxyphenol 9464 15560 8895 5819 9636 8965 6998 5778 4874 6799 6467 5248 Calycosin 10000000 13270000 16440000 20210000 28670000 33970000 397100 6800000 8037000 6795000 546300 668500 beta-L-Arabinose 3779000 5497000 6042000 5479000 8553000 4996000 1630000 3820000 3796000 2547000 2928000 1918000 Hastatoside 13960 13150 22730 49370 25020 41750 8811 10080 18400 12110 5249 8255 Eriodictyol 13420 13310 14700 7802 8770 17250 9943 6537 8984 11150 5031 6356 Choline bitartrate 715200 848900 885600 737700 1118000 682400 486000 547300 633200 483600 483000 361900 L-Sorbose 91460 52150 71080 54530 39890 24740 76910 47370 109200 99750 106100 89450 D-Ribose 237200 384800 399000 420300 556800 259300 200900 207000 275500 290500 229600 169000 p-Hydroxy-cinnamic acid 14940 88190 37060 33160 74990 42890 16110 7657 18240 34720 11480 23340 Apigenin 4-O-rhamnoside 4983 6083 6260 10870 13480 14870 6424 5952 3165 6446 2212 4757 Peonidin chloride 16210 18090 19660 15590 15030 17930 17890 15220 11060 14800 10080 11910 Luteolin 7-O-glucoside 179700 131700 200700 200100 213800 259400 88560 124500 123900 215100 81700 81280 Rhein 18430 125800 16530 20770 6028 10320 6459 4142 3097 22530 2476 7664 Acetyl tryptophan 52560 69340 62810 106700 136900 105300 34250 31850 19890 52790 19850 31890 Myristoleic acid 66340 60090 69940 383000 98870 118600 23420 25400 24910 197400 43350 19890 9,10-EODE 11400 10090 8180 9903 8511 9191 8942 9648 4698 5670 6559 7873 9(S)-HpOTrE 91670 117500 80910 87620 86410 86080 66960 57610 65140 105600 61730 53270 12,13-EODE 1533000 1192000 1138000 1281000 1191000 1390000 670300 495700 391300 1393000 354600 412200 13-HPODE 45170 53040 37030 41230 41140 45630 37770 27560 18900 37110 22950 30360 Gallic acid O-Hexoside 101000 45220 137800 44850 152800 120700 2240 15370 19670 34790 7316 11030 Pelargonidin O-acetylhexoside 600500 449200 421500 489300 1053000 1096000 157400 366700 386400 588600 181400 158400 O-p-coumaroyl-O-salicyloyl quinic acid 19350 26570 5298 16970 14370 22440 5022 11720 5862 4032 5589 5332 5-O-p-coumaroyl quinic acid O-hexoside 7899 7410 7863 7848 5363 14290 5052 5738 3241 3606 4534 5443 Syringic acid O-glucoside 97930 82350 91240 123300 108500 114100 85730 81880 99070 58600 71810 64780 Di-O-methylquercetin 3976000 4209000 3465000 5737000 4259000 4568000 2562000 2389000 2518000 3685000 1828000 1880000 LysoPE 16:0 (2n isomer) 2648 8806 4705 11161 7703 1720 32900 7336 6683 12180 8669 18970 Indole-5-carboxylic acid 637400 739000 695400 726000 338500 869500 367800 381600 465200 468200 404900 297700 Kaempferol 3-O-robinobioside 23300 21120 51330 28980 14320 29190 16765 14960 13340 17571 16526 11610 Isohemiphloin 31190 45760 28940 8135 23930 34020 9451 20130 4023 17770 9894 11360 5-oxoproline 21860 5258 7279 10790 12250 4513 55040 79950 60380 16920 73380 34690 2'-Hydroxydaidzein 1077000 1234000 703000 1243000 1894000 1916000 314100 987800 444900 1038000 229800 163700 Trifolin 140300 120900 107300 132100 121000 144500 37980 52960 64440 104100 47660 33530 2'-Hydroxygenistein 1362000 1827000 1808000 2833000 3350000 3873000 472300 1054000 905100 1668000 378800 245300 Prunetin 614900 496900 711700 1007000 998500 1797000 131200 356900 469600 177000 180700 116900 D-Xylose 53560 46580 95460 82310 104300 59690 21190 41260 55190 31910 45200 31690 Fmoc-Ile-OH 35010 30980 38170 35500 8051 28290 3733 5520 4038 15755 4315 2618 Chrysophanol 8-O-glucoside 37900 16540 14650 12580 31530 27080 19950 10320 5546 14810 12340 10200 Rhein 8-Glucoside 17490 14900 16630 20710 16450 33280 7464 16410 11420 9564 6671 4639 4'-Hydroxyacetophenone 6784 2717 12780 6079 10330 7082 96380 98770 52580 19990 128800 46490 Isomucronulatol-7-O-glucoside 12110 10030 10960 21300 8207 23600 6355 10680 6066 11510 7361 7464 Crocetin 62110 45540 45920 71240 60950 49030 23000 34390 24770 57410 33790 13690 Coumestrol 57700000 52000000 43270000 63530000 60470000 71340000 26410000 50100000 42130000 39580000 28340000 26360000 Methylenesuccinic acid 59180 59410 48660 42490 51160 44560 61360 62060 75960 82820 52340 64250 D-Xylulose 6033000 5531000 5949000 6886000 8330000 5585000 1582000 3270000 4107000 3436000 3295000 2141000 Kuwanon A 27180 26110 25660 30120 10870 17120 10810 4745 16510 13130 19820 5595 N-[(Tert-butoxy)carbonyl]-L-tryptophan 8693 12100 11840 11220 9951 9522 9359 9015 8011 8335 9584 7900 P-Coumaryl Alcohol 1480000 1272000 1806000 1719000 2344000 1333000 431500 1051000 1173000 957400 901500 701500 Physcion 8-O-Beta-D-Monoglucoside 159700 176000 285100 383500 160200 691100 17830 65620 97240 76140 10230 6326 N-Acetyl-L-glutamic acid 21070 13520 20970 14460 25770 17530 9143 13520 7990 18780 11770 10620 Succinic anhydride 4984000 7020000 7191000 10440000 6492000 11070000 4822000 4254000 2845000 3760000 6337000 4960000 3-O-p-coumaroyl shikimic acid O-hexoside 14650 10280 7411 8356 6819 14860 5724 7717 5138 2053 6887 6105 2-Oxoadipic acid 93580 145100 121400 141800 63810 116400 46610 55560 65190 99960 60080 39870 p-Coumaric acid-4-O-glucoside 15810 8912 9972 16960 8368 18220 6501 7096 5742 2070 6943 2479 6'-O-Feruloyl-D-sucrose 135100 280000 261200 274700 156400 431400 178700 153800 94520 255800 86770 110200 (-)-Jasmonoyl-L-isoleucine 2115 3308 2445 8338 3051 7050 9607 6962 9066 9589 7589 7298 1-O-Gentisoyl-D-glucoside 189600 78410 187000 89450 244500 148600 34420 133100 80400 39210 25780 62610 9,10,13-Trihydroxyoctadec-11-enoic acid 5539000 6095000 5018000 7761000 6747000 6660000 4112000 4333000 4567000 6471000 3561000 3787000 Koaburaside 72760 67110 100900 91400 120300 158900 9915 67890 54260 27600 18960 12410 2-O-Caffeoylmalic acid 27920 22810 45330 27380 24570 25520 19570 21220 13510 25380 20200 15880 Eicosadienoic acid 92240 123700 82990 221500 123500 161600 99470 44590 53140 92080 68300 33440 1-O-Galloyl-D-glucose 36090 26130 28470 28620 64110 50040 8180 29230 26550 24500 15560 8879 2,2-Dimethylsuccinic acid 68550 88630 79980 95450 117800 129300 60450 50390 90430 32140 57640 72630 N-Acetyl-L-Tryptophan 252100 311000 398700 481700 558500 416700 153400 120100 126300 220800 84040 183600 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG_ID log2(GH3_62/CK) P-value VIP Capsaicin C06866 -0.59 0.03603 1.410631 Uridine C00299 0.38 0.049077 1.335889 Cytidine C00475 1.1 0.00738 1.678281 Indole-3-acetic acid C00954 -1.17 0.004599 1.745099 Methyl linoleate _ 0.37 0.035225 1.400424 SDMA _ 0.92 0.001593 1.86532 5-Methylcytidine _ 0.61 0.048389 1.340858 Calycosin-7-O-beta-D-glucoside _ -1.69 0.005904 1.714958 Schaftoside C10181 -0.6 0.042562 1.371818 Corylin _ -2.02 0.00554 1.714132 Uracil C00106 0.43 0.044689 1.355725 4-Aminobutyric acid C00334 0.64 0.04696 1.354123 Glycine C00037 1.62 0.000149 2.029943 L-Alanine C00041 1.33 0.015827 1.56341 L-arginine C00062 1.01 0.004511 1.745516 L-Hydroxyproline C01157 0.72 0.00723 1.67424 D-Proline C00763 0.84 0.018624 1.54884 3-Amino-2-methylpropanoic acid C05145 0.46 0.033336 1.426858 L-serine C00065 0.9 0.001571 1.856123 D-Phenylalanine C02265 0.79 0.020923 1.508886 4-Acetamidobutyric Acid C02946 0.96 0.013088 1.599214 Sattabacin _ -1.09 0.002621 1.809155 NG,NG-Dimethyl-L-arginine C03626 0.74 0.016052 1.573783 N-(2-Hydroxyethyl)iminodiacetic acid _ -0.58 0.04446 1.364716 L-Valine C00183 1.07 0.00182 1.839141 Indole-3-acetamide C02693 0.92 0.003754 1.76819 dUDP C01346 -1.08 0.008581 1.659773 Diethanolamine C06772 0.89 0.003058 1.784438 Benzamidine C01784 0.79 0.025612 1.473814 Tetraethylammonium fluoride _ 0.87 0.013898 1.588267 1-Methylhistidine C01152 1.61 0.012046 1.604719 Spermidine C00315 0.43 0.023606 1.46489 Sarcosine C00213 1.38 0.013644 1.589651 R-Aminobutyrate _ 0.64 0.03582 1.411031 Purine C15587 0.82 0.014536 1.576662 Nε-(1-Carboxymethyl)-L-lysine _ 0.58 0.030817 1.458785 N2-Acetyl-L-lysine C12989 -0.44 0.036908 1.412008 L-Cystathionine C02291 -0.89 0.010308 1.624223 Proline C16435 0.66 0.013397 1.603356 D-Pyroglutamic acid C02237 2.73 0.000206 2.01657 methyl oxo pentanoate C00233 -0.64 0.012914 1.574671 2-Deoxy-D-galactose C02781 -0.46 0.026398 1.47913 1-Methylguanosine C04545 0.97 0.029743 1.450685 Scopine _ -0.42 0.013687 1.600068 Allicin C07600 2.08 3.39E-05 2.114284 Cephalotaxine C10580 -1.3 0.015705 1.559807 Deoxyarbutin _ 1 0.037877 1.384844 Tropine C00729 0.34 0.041798 1.38544 Homoplantaginin C17762 -1.07 0.034348 1.414545 Tabersonine C09244 -1.47 0.021782 1.498238 Aloperine C10748 0.79 0.007557 1.675349 3-Amino-4-methylpentanoic acid _ 0.51 0.033895 1.43384 D-Serine C00740 0.98 0.0014 1.870072 Xanthopterin _ 1.95 0.002149 1.837587 L-Phenylalanine C00079 0.74 0.03485 1.40942 Alanine C01401 1.22 0.009793 1.642442 Indirubin _ 2.54 0.000373 1.973285 Pratensein-7-O-glucoside _ -1.19 0.026444 1.45987 Trachelogenin C10891 -0.58 0.036387 1.393054 Prim-O-glucosylcimifugin _ -1.26 0.025157 1.473309 Vincosamide _ 1.23 0.000697 1.923823 Oxymatrine _ 1.78 0.033185 1.428156 ladanein _ -2.03 0.013257 1.579592 7-methylguanine C02242 0.76 0.031428 1.431556 5-O-p-Coumaroyl shikimic acid _ -1.15 0.004095 1.753737 MAG (18:1) _ 1.78 0.024364 1.465802 Diethyl glutarate _ -0.5 0.020037 1.533886 Methionine sulfoxide C02989 1.15 0.014287 1.572886 Methylguanidine C02294 1.25 0.025337 1.480189 Sissotrin C05376 -1.4 0.02951 1.437842 Peonidin O-hexoside _ -1.7 0.009591 1.642104 Cyanidin 3-O-malonylhexoside _ -1.17 0.047155 1.337719 (-)-Norepinephrine N-hexoside _ -0.81 0.011979 1.60211 1,3-Dimethyluric Acid _ 0.3 0.035816 1.413695 1-Methyladenine C02216 0.76 0.019084 1.535078 2-Methyladenosine _ 0.99 0.019198 1.536206 Chinese bittersweet alkaloid II _ 3.32 0.008156 1.671582 Chrysoeriol 5-O-hexoside _ -1.23 0.029352 1.446135 GDP-L-fucose C00325 -1.03 0.022522 1.516178 IAA-Asp _ -1.1 0.000974 1.902712 Luteolin O-malonylhexoside _ -1.45 0.018332 1.529638 N-p-Coumaroylspermidine _ -0.49 0.020846 1.498123 Ononin C10509 -0.49 0.0322 1.421625 Phellodenol H _ -0.49 0.006424 1.695884 Quercetin-3,4'-O-di-beta-glucopyranoside _ -1.3 0.005428 1.713778 Quercetin 5-O-hexoside _ -1.18 0.001955 1.845496 Selgin O-malonylhexoside _ 0.53 0.048513 1.315526 Xanthurenic acid O-hexoside _ 4.58 9.46E-05 2.046028 Yamogenin C08918 -0.56 0.004428 1.753097 gamma-Glu-Leu _ 1.11 0.01123 1.621294 Chrysoeriol O-malonylhexoside _ -1.59 0.016158 1.555524 D-Threonine C00820 1.25 0.026288 1.470593 Auramine C19193 -0.37 0.005664 1.726186 Vanillin C00755 -0.93 0.013366 1.589485 sn-Glycero-3-phosphocholine C00670 -0.67 0.031247 1.437571 Pyridoxine O-glucoside _ -0.98 0.008414 1.66879 Chrysoeriol 7-O-hexoside _ -1.09 0.0382 1.392383 Tricetin O-malonylhexoside _ -1.26 0.00574 1.70894 N-p-Coumaroylputrescine _ 1.06 0.040013 1.371317 D-Threose C06463 3.46 4.01E-05 2.104262 Icariside B2 _ -1.28 0.011013 1.61316 HBOA C15769 0.74 0.036072 1.402104 Isohyperoside _ -0.67 0.047568 1.33443 Elemol _ -0.35 0.003187 1.799255 Luteolin-4'-O-glucoside _ -0.77 0.048342 1.331704 N-Feruloyl-3-methoxytyramine _ 1.97 0.001669 1.865405 D-Panthenol C05944 9.78 2.83E-10 2.288168 Esculin C09264 -0.68 0.022395 1.496663 Luteolin C01514 -1.44 0.00152 1.864043 Diosmetin C10038 -2.23 0.009951 1.631109 Daphnetin C03093 -0.74 0.011415 1.632291 Orcinol glucoside _ -0.45 0.026566 1.467458 Salicylic acid C00805 1.8 0.001684 1.858237 DL-Panthenol _ 7.33 3.00E-07 2.227333 p-Coumaric Acid C06738 -1.06 0.023231 1.486881 Psoralidin C10523 -3.04 0.002173 1.820124 2-Hydroxybutyric acid C05984 -0.55 0.048642 1.332581 Tartaric acid C00898 -0.73 0.002566 1.793549 Scutellarein C10184 -0.78 0.008592 1.653527 Tectorigenin C10534 -1.63 0.018266 1.53741 Calceolarioside B _ -1.58 8.99E-06 2.162264 Neobavaisoflavone _ -1.04 0.032225 1.425544 L-Glutamine C00064 -1.11 0.009729 1.648624 L-Pyroglutamic acid C01879 2.2 0.000478 1.960282 L-Arabinitol C00532 -1.24 0.000296 1.979867 D-Glucuronic acid C16245 0.49 0.042917 1.367624 N-Acetylornithine C00437 -0.72 0.009605 1.653686 Creatine C00300 -1.38 0.00379 1.780494 12-OH-JA-Ile-1 _ -1.1 0.004115 1.749972 GA7-1 _ -0.96 0.005339 1.723105 Jasmonic acid C08491 0.55 0.030479 1.412962 Kaempferol7-O-beta-D-glucopyranoside _ -0.96 0.026025 1.459651 Lactic acid C01432 3.12 6.41E-05 2.08555 9(S)-HOTrE C16326 -0.91 0.01139 1.617832 Sinapoyl malate C02887 -0.81 0.018726 1.527467 4-Methylvaleric Acid _ -0.39 0.046119 1.349293 Lysope 16:0 _ 1.44 0.034761 1.379459 O-Phospho-L-Tyrosine _ -0.96 0.039842 1.382326 Methyl protocatechuate _ -1.22 0.009827 1.641717 Methyl 4-hydroxycinnamate _ -1.87 0.045713 1.344658 Oxyresveratrol C10273 -0.84 0.009658 1.645536 3,5-Dimethoxyphenol _ -0.68 0.010197 1.619816 Calycosin C01562 -2.39 0.004395 1.741214 beta-L-Arabinose C02479 -1.04 0.002005 1.814117 Hastatoside _ -1.39 0.00822 1.672851 Eriodictyol C05631 -0.64 0.02995 1.45277 Choline bitartrate C00919 -0.73 0.000716 1.904627 L-Sorbose C00247 0.66 0.049592 1.337016 D-Ribose C21057 -0.71 0.012112 1.579538 p-Hydroxy-cinnamic acid C00811 -1.38 0.021611 1.498863 Apigenin 4-O-rhamnoside _ -0.96 0.031194 1.441976 Peonidin chloride C08726 -0.34 0.029062 1.456548 Luteolin 7-O-glucoside C03951 -0.72 0.011705 1.610602 Rhein C10401 -2.09 0.04625 1.358198 Acetyl tryptophan C03137 -1.48 0.000701 1.931416 Myristoleic acid C08322 -1.25 0.044689 1.360508 9,10-EODE _ -0.4 0.034425 1.423508 9(S)-HpOTrE C16321 -0.42 0.019168 1.523288 12,13-EODE _ -1.05 0.002551 1.814728 13-HPODE C04717 -0.59 0.005141 1.737045 Gallic acid O-Hexoside _ -2.73 0.000882 1.904399 Pelargonidin O-acetylhexoside _ -1.16 0.013798 1.576312 O-p-coumaroyl-O-salicyloyl quinic acid _ -1.48 0.005317 1.726612 5-O-p-coumaroyl quinic acid O-hexoside _ -0.87 0.004498 1.766099 Syringic acid O-glucoside _ -0.41 0.014024 1.581064 Di-O-methylquercetin _ -0.81 0.000852 1.918749 LysoPE 16:0 (2n isomer) _ 1.23 0.048205 1.340323 Indole-5-carboxylic acid _ -0.74 0.008775 1.670825 Kaempferol 3-O-robinobioside _ -0.89 0.0139 1.592421 Isohemiphloin _ -1.24 0.028524 1.448807 5-oxoproline _ 2.37 0.000579 1.953732 2'-Hydroxydaidzein C02495 -1.34 0.009383 1.63758 Trifolin C12626 -1.16 0.000457 1.960701 2'-Hydroxygenistein C12134 -1.67 0.00327 1.776885 Prunetin C10521 -1.97 0.000712 1.927344 D-Xylose C00181 -0.96 0.005929 1.690321 Fmoc-Ile-OH _ -2.29 0.000728 1.935684 Chrysophanol 8-O-glucoside _ -0.93 0.031157 1.431017 Rhein 8-Glucoside _ -1.08 0.004215 1.754792 4'-Hydroxyacetophenone C10700 3.27 9.67E-05 2.064498 Isomucronulatol-7-O-glucoside _ -0.8 0.032936 1.447205 Crocetin C08588 -0.83 0.010455 1.616941 Coumestrol C10205 -0.71 0.003207 1.783466 Methylenesuccinic acid C00490 0.38 0.013617 1.590562 D-Xylulose C00310 -1.1 0.000502 1.941296 Kuwanon A _ -0.95 0.027372 1.459633 N-[(Tert-butoxy)carbonyl]-L-tryptophan _ -0.27 0.013951 1.572399 P-Coumaryl Alcohol C02646 -0.93 0.003198 1.766122 Physcion 8-O-Beta-D-Monoglucoside C10384 -2.76 0.001875 1.844077 N-Acetyl-L-glutamic acid C00624 -0.65 0.01453 1.561586 Succinic anhydride C19524 -0.8 0.007688 1.685531 3-O-p-coumaroyl shikimic acid O-hexoside _ -0.89 0.021935 1.512206 2-Oxoadipic acid C00322 -0.89 0.006003 1.713551 p-Coumaric acid-4-O-glucoside _ -1.34 0.004136 1.75774 6'-O-Feruloyl-D-sucrose _ -0.8 0.043965 1.378134 (-)-Jasmonoyl-L-isoleucine C18699 0.92 0.00874 1.635426 1-O-Gentisoyl-D-glucoside _ -1.32 0.00928 1.63715 9,10,13-Trihydroxyoctadec-11-enoic acid _ -0.49 0.00794 1.670881 Koaburaside _ -1.67 0.002623 1.799153 2-O-Caffeoylmalic acid _ -0.58 0.014861 1.568269 Eicosadienoic acid C16525 -1.04 0.008711 1.658912 1-O-Galloyl-D-glucose _ -1.04 0.015998 1.542612 2,2-Dimethylsuccinic acid _ -0.67 0.017645 1.542197 N-Acetyl-L-Tryptophan _ -1.44 0.000244 2.008045 METABOLITES_END #END