#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