#METABOLOMICS WORKBENCH yxw_524521_20240929_110530 DATATRACK_ID:5247 STUDY_ID:ST003540 ANALYSIS_ID:AN005812 PROJECT_ID:PR002177
VERSION             	1
CREATED_ON             	October 17, 2024, 10:58 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_61 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_61-1	Sample source:Plant root | Phenotype:transgene	RAW_FILE_NAME(Raw file name)=-
SUBJECT_SAMPLE_FACTORS           	-	GH3_61-2	Sample source:Plant root | Phenotype:transgene	RAW_FILE_NAME(Raw file name)=-
SUBJECT_SAMPLE_FACTORS           	-	GH3_61-3	Sample source:Plant root | Phenotype:transgene	RAW_FILE_NAME(Raw file name)=-
SUBJECT_SAMPLE_FACTORS           	-	GH3_61-4	Sample source:Plant root | Phenotype:transgene	RAW_FILE_NAME(Raw file name)=-
SUBJECT_SAMPLE_FACTORS           	-	GH3_61-5	Sample source:Plant root | Phenotype:transgene	RAW_FILE_NAME(Raw file name)=-
SUBJECT_SAMPLE_FACTORS           	-	GH3_61-6	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, 1.8 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_61-1	GH3_61-2	GH3_61-3	GH3_61-4	GH3_61-5	GH3_61-6
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
Adenosine	95440000	44840000	10230000	44610000	3631000	10900000	88780000	61108000	103400000	34110000	80170000	213000000
Cytidine	12980000	16550000	10360000	11630000	19200000	17860000	18860000	22740000	26220000	20750000	16510000	25000000
Colchicine	42460	54280	64200	64040	62840	54190	89020	68760	73550	105000	53060	69840
Indole-3-acetic acid	76270	160900	64930	53850	66490	66070	20310	63970	18340	26130	29230	27610
Calycosin-7-O-beta-D-glucoside	375300	377100	611600	569400	446600	1621000	240300	167946	229300	169800	165400	145700
Schaftoside	16639	27320	19480	20902	25050	40270	15324	21470	21800	17340	14149	11720
L-Ornithine	2558000	4820000	2577000	2176000	6994000	2617000	8943000	2458000	14780000	5961000	9787000	10980000
DL-Citrulline	1907000	2725000	1184000	1200000	1630000	1014000	2517000	1285000	3303000	3872000	2604000	4241000
beta-Nicotinamide Mononucleotide	14470	10140	13730	3970	13580	7282	60910	27320	35620	28150	182400	314000
L-arginine	845300	2270000	1021000	1069000	1310000	1117000	2071000	1057000	3506000	1919000	2912000	2472000
DL-Norvaline	15760000	21210000	10580000	12470000	10910000	8070000	24700000	11250000	18060000	21500000	27930000	29190000
Phe-Phe	26120	22340	11360	8734	10880	24230	33360	26320	21130	38410	33140	31310
Sattabacin	42380	40250	49080	82870	56250	77640	7609	26760	57850	27920	24880	38030
1,2-Benzenedicarboxylic acid	317600	343000	175700	183400	179500	199100	345000	197800	354700	357600	383000	500300
Nicotinate ribonucleoside	607300	570400	891900	902200	1053000	1081000	407100	749100	509900	479500	380900	685200
NG,NG-Dimethyl-L-arginine	300800	426400	397800	295000	335300	189300	580600	285100	533500	480900	624200	503800
2-Hydroxy-6-Aminopurine	1152000	953900	555600	226600	728200	362500	1859000	1027000	2584000	1138900	1242000	1552630
N-(2-Hydroxyethyl)iminodiacetic acid	1885000	1218000	2250000	3101000	2511000	2654000	927800	1745000	1738000	1845000	1156000	1136000
L-Valine	117600	74570	40380	107300	81730	71480	169600	79790	162700	174200	226100	211900
2,6-Diaminooimelic Acid	3014000	2675000	1897000	1292000	1962000	1343000	3709000	1942000	2343000	3612000	4939000	4704000
Indole-3-acetamide	18920	40640	33500	47330	40000	24000	44350	49810	78320	48330	79750	55680
dUDP	130400	188900	180700	203500	116000	168000	26440	83410	269800	43670	39060	125700
DIMBOA glucoside	242100	232900	138100	179300	190200	361300	56450	164400	70200	78080	48800	47780
14,15-Dehydrocrepenynic acid	7196000	6202000	6033000	4955000	6871000	7996000	2350000	9836000	4244000	4256000	3305000	3055000
10-Formyl-THF	755300	672800	712700	1084000	1199000	1119000	611300	628200	709000	563300	539600	686200
Benzamidine	683100	893500	417400	490900	511900	407300	866600	493800	868000	773400	862200	1435000
Acetaminophen	785600	764600	397000	322800	400700	511500	1195000	522500	1614000	706640	780800	1870000
1-Methylhistidine	449500	302100	123100	121700	244700	198200	1149000	251400	778400	1022000	1318000	1216000
S-Adenosyl-methionine	581800	704700	343300	225100	181800	316700	1024000	331100	969200	488100	743700	1152000
Pro-Leu	228200	238500	129900	365700	295500	300400	96400	204500	43880	164400	152928	69070
N2-Acetyl-L-lysine	1.07E+08	1.31E+08	1.17E+08	1.23E+08	92280000	1.5E+08	84800000	71040000	1.19E+08	95380000	60410000	1.13E+08
N-Methyl-a-aminoisobutyric acid	13320000	15360000	8012000	10770000	9697000	6926000	20580000	9617000	13810000	18170000	23940000	24540000
L-Methionine sulfone	1922000	3529000	1559000	1840000	3032000	2139000	1248000	2024400	1850000	1364000	1554000	1640000
L-Methionine Methyl Ester	18330	30288	47130	33620	28290	27780	20575	24791	22708	22502	16800	23495
L-Cystathionine	42910	90820	43240	30940	53490	69720	24160	24250	67350	13030	33440	24930
Homoserine	7274000	7779000	3485000	4361000	3250000	2122000	13180000	3886000	6421000	7248000	8447000	10780000
Valine	16270000	19490000	8962000	12170000	9836000	7706000	21940000	10050000	19910000	19860000	25320000	27720000
methyl oxo pentanoate	80050	129800	112400	97320	148900	137100	88450	76780	85880	99050	64690	86400
Trimethylamine N-oxide	19710	43350	21510	17140	25910	30080	56440	20060	55310	39640	48210	68250
Alpha-Linolenic acid	9806000	9055000	8347000	8593000	10330000	13190000	4218000	11820000	6946000	7894000	5699000	5151000
UDP-N-acetylglucosamine	11810	2338	6939	4301	4573	4305	10850	9056	4812	10640	9565	10630
2-Deoxy-D-galactose	4274000	5436000	4677000	5089000	3807000	6174000	3005000	2428000	4541000	3550000	2446000	5008000
dAMP	97590	65810	67830	125200	158300	135900	16290	57670	30210	58390	15750	28740
dCMP	39440	39150	32380	31210	25800	48260	81290	42920	62790	52920	47130	161700
thiamine phosphate	15040	11420	2591	9211	12064	5702	10880	6206	24940	24800	33670	52850
D-Glucosamine	299800	251900	239200	237300	263200	375200	231600	207100	229100	199900	225000	148300
Cephalotaxine	11133	12070	14080	8054	11980	34480	3591	2668	9482	3117	6497	6372
Deoxyarbutin	58200	112900	132000	110000	89420	63170	187100	132300	136000	147500	127600	136600
2-Ethyl-3-hydroxy-4H-pyran-4-one	918000	668000	837300	558300	1021000	946100	371100	786800	580500	691500	350800	483200
Dictamnine	11750	5218	8358	4680	13350	5943	15860	13710	16770	16040	8955	14030
Alnustone	2188	3522	3352	2514	4235	3251	2095	1841	2113	2963	2716	1690
Homoplantaginin	182200	127700	191400	239000	312300	548100	48740	185000	171900	73540	100100	77450
Tabersonine	242600	333800	203200	474700	601400	974100	18920	187100	156800	71690	42810	45540
Aloperine	7873	7236	9446	9516	9533	7409	10650	9347	9345	13570	14010	19460
D-Serine	6389000	7021000	4712000	5450000	5369000	4544000	7931000	5152000	6698000	8514000	8437000	9496000
3-Hydroxy-9,10-Dimethoxypterocarpan	26070	71720	28320	43180	88870	95260	14796	40980	11690	5892	6392	12970
4',6,7-Trihydroxyisoflavone	161800	177900	227700	158700	262900	399800	63340	278200	181300	52700	86960	117700
Indirubin	9606	26930	3357	4406	5280	13540	139600	1786	229200	63580	74040	48660
Homoharringtonine	22470	44770	22090	26440	36950	32740	18057	10910	20830	21180	20266	11860
Pratensein-7-O-glucoside	89760	132100	236100	137700	294300	351100	42610	83380	179800	54240	15220	80380
Prim-O-glucosylcimifugin	113500	94080	344700	255900	290400	440200	75250	159300	74160	27960	55170	32560
Oxymatrine	64120	73000	34790	26490	41150	29010	115100	31750	75860	124500	111300	133500
Oxysophocarpine	9034	13720	4927	3295	7558	16200	83500	5003	135900	44020	55000	50630
ladanein	10970	86840	12090	39590	82270	47160	5487	17820	11680	6510	5802	8169
Histidinol	470800	214800	105300	121200	164900	461200	85210	119400	140500	100300	143600	108500
delta-Tridecalactone	100600	109300	107400	133700	135100	153400	80460	80000	63080	91620	93230	46760
Caffeic aldehyde	427100	624200	287700	316400	598200	405200	264600	284800	355800	328800	298600	321300
N-hexosyl-p-coumaroyl putrescine	11690	4016	9086	7495	8004	7324	11270	9081	11200	11700	16130	9894
N-p-Coumaroyl agmatine	91560	136400	60610	118300	104200	173800	49290	71550	83220	86620	70190	89190
5-O-p-Coumaroyl shikimic acid	14380	10120	19580	30880	19970	17460	6540	5415	17670	5404	7182	6840
Gallocatechin-gallocatechin	8287	22880	28320	8753	24620	36800	4396	12487	8042	5545	5569	4773
Punicic acid	5471000	5635000	4912000	4920000	6097000	8150000	2278000	7040000	3884000	4587000	3133000	2904000
Cocamidopropyl betaine	215600	233700	177200	176300	457000	474400	107000	133000	93550	179600	189200	169500
MAG (18:1)	5289	5666	3096	2133	2676	7611	6242	35710	5730	5711	17800	7285
N-Formylkynurenine	257400	206200	103700	119500	100400	89040	423000	117500	135700	294500	624900	476900
Diethyl glutarate	1.04E+08	1.27E+08	1.17E+08	1.25E+08	92760000	1.5E+08	81310000	67300000	1.16E+08	89050000	57540000	1.06E+08
DL-threitol	145900	176800	117900	97500	161500	158900	140300	81430	54250	83560	115700	109200
Guanosine monophosphate	74580	116200	119100	49470	44330	78090	179300	71830	179400	192700	377100	404100
Methionine sulfoxide	1179000	682400	841000	563300	366400	324400	2255000	915500	581700	1320000	2014000	1319000
trans-Aconitic acid	11440000	13560000	10920000	11340000	12370000	13660000	11890000	10000000	9260000	12240000	6802000	9874000
Methylguanidine	322700	326300	143000	142500	159600	76490	497100	203600	221500	374300	445300	557400
Sissotrin	810800	819200	1484000	1131000	1575000	3494000	206965	867400	807100	240700	262497	142500
Peonidin O-hexoside	93500	204000	256800	326600	358700	432000	36500	83530	202200	13630	59020	50910
Feruloylcholine	7182	12680	5629	9535	8014	9907	2714	9906	6499	3994	3684	3632
Cyanidin 3-O-malonylhexoside	296000	123400	300500	344200	358500	725500	45610	233500	247600	112300	85240	44810
(-)-Norepinephrine N-hexoside	827200	929100	1426000	1484000	1359000	1880000	340800	807200	559400	364500	633200	331000
18-Nor-4,15-dihydroxyabieta-8,11,13-trien-7-one	12960	31300	30990	47620	75030	22360	13230	11130	9970	9918	10020	4125
2-Amino-1,3,4-tetradecanetriol	311700	329100	250000	316200	166000	254800	145000	247200	105000	124500	107800	131800
2'-Deoxycytidine	243300	724800	385900	609600	562100	658100	195500	187500	479100	272800	200100	256300
3,7-Dimethoxykaempferol-C-glucoside	25960	30280	35290	36580	56140	102400	13440	24831	27610	11160	14770	16390
4-Methylumbelliferyl phenylphosphonate	12360	11010	10590	19370	17640	16820	10840	12740	11630	6883	7611	10500
Apigenin O-malonylhexoside	16060000	15010000	14280000	10500000	31700000	32160000	5965000	10640000	15150000	5599000	10040000	10290000
Apo-13-zeaxanthinone	392400	303000	535500	564100	665500	523300	236600	500800	262900	276700	312800	218500
Chinese bittersweet alkaloid II	30970	22630	26570	28310	44560	17780	53090	64810	45880	60780	56250	42510
Chrysoeriol 5-O-hexoside	171200	127700	240700	213800	349400	668200	52270	131000	201500	56330	89070	58480
D-Ala-D-Ala	27040	41270	23220	29180	37010	27710	32740	40810	40570	56380	52560	48820
DL-threo-beta-Methylaspartic acid	7856	18350	13360	6820	20270	9921	6240	3110	8248	6512	8549	6226
IAA-Asp	455000	763100	789800	747100	1168000	1001000	253100	413100	399200	307500	339700	191700
Kaempferol 3-O-glucoside-2‘-O-rhamnoside	15630	10880	17010	32970	28720	35970	7280	20430	10940	3403	4420	7048
L-Homocystine	5779000	2784000	607400	2649000	248900	649800	5256000	4660000	6561000	2085000	4857000	7691888
Luteolin O-malonylhexoside	1561000	982700	1744000	1734000	1707000	3994000	309900	1290000	1281000	564200	510300	184700
N8-Acetylspermidine	36770	45990	35290	36530	36450	35200	19980	33700	30550	23600	39040	29500
N-Acetyl-5-hydroxytryptamine	19130	10840	7445	6093	7473	8185	12700	11800	11070	21550	20140	22260
Naringenin O-malonylhexoside	411600	401600	357100	272200	754600	863300	167300	299400	328500	195400	264800	379500
N-Feruloylcadaverine	381400	332400	325700	348400	371900	512600	161600	455900	256400	297300	223900	235300
N-p-Coumaroylspermidine	12970	15050	14410	18300	20600	14610	4887	3265	10110	2844	8635	6821
Ononin	19080	37600	39320	25600	24520	23050	22500	12700	18540	21430	22630	14770
Phellodenol H	99110	122800	121700	128400	127000	108400	84970	76630	85980	96960	59480	116200
Pyridoxine	24470	38330	20780	41020	39450	43000	13010	29750	10510	12190	18070	30140
Quercetin-3,4'-O-di-beta-glucopyranoside	41500	39920	57100	91460	69840	80100	13710	29220	27730	10350	8820	23190
Threonyl carbamoyl adenosine	79510	110700	79230	117400	134300	100100	55950	60030	97410	71710	60200	70370
Tricin O-malonylhexoside	44310	33650	26930	40110	78120	87490	17040	19790	52040	17870	12160	29000
Yamogenin	32150	34450	31880	32840	26760	45590	12220	18670	43930	25340	12640	24890
4-Hydroxybenzoate	111300	95930	143300	108400	193000	154500	95620	94770	119900	106100	71710	95660
Fustin	1857000	1480000	1642000	981300	1871000	2414000	820700	1087000	1313000	671900	1068000	1191000
N-Sinapoyl agmatine	11430	6428	12340	2087	9157	10780	18870	11840	18170	11130	25350	11790
Chrysoeriol O-malonylhexoside	275500	192500	405400	521900	648700	1206000	90530	274700	322100	98360	108400	98700
N-Methylnicotinamide	3526	5957	2723	2966	6412	4302	1708	2403	1353	2879	3507	3593
D-Threonine	1614000	1275000	694200	707000	676000	391900	2338000	1024000	1069000	2033000	2033000	2832000
Auramine	123500	119100	91090	149400	106700	109500	98540	90450	100200	99060	79080	69960
Benzyl cinnamate	15300	19980	24950	12210	15880	18910	29990	27290	33430	30510	26320	31990
Coumalic acid	497900	606400	452100	345500	448200	603500	407700	270000	437700	276800	302300	406900
Pyridoxine O-glucoside	259700	302800	367800	513600	400200	801900	87080	202866	194300	83640	183700	72330
Chrysoeriol 7-O-hexoside	149400	154900	210900	240800	376300	634200	72890	145500	195800	38150	70330	87190
Tricetin O-malonylhexoside	64220	79800	60230	111500	104600	156100	23730	40680	44880	45780	24020	35320
N-p-Coumaroylputrescine	7170	11540	4535	7367	8137	17200	35100	7662	18750	35910	48550	7425
Phytocassane C	104200	116200	97050	153300	216200	197400	76160	108700	121900	67980	82100	71910
1,5-Diaminopentane	101000	67350	39050	6985	41910	39990	267200	32730	347100	168500	269800	127000
L-Alanyl-L-Phenylalanine	73780	111800	44330	49160	37050	40070	90150	94640	62550	117100	78380	121000
2'-Deoxyinosine 5'-phosphate	7136	18070	13410	18900	20130	26720	6191	7175	9711	9310	11580	13540
Isohyperoside	38270	41810	32160	54380	79430	70730	19040	30260	27460	20605	12860	20450
L-Leucyl-L-phenylalanine	44020	65060	42910	42780	42420	51960	71420	57410	68180	79990	64190	91090
Elemol	16260000	18560000	17410000	18740000	15620000	21620000	14710000	14380000	14900000	15940000	13980000	13480000
Luteolin-4'-O-glucoside	113622	194000	130756	182600	270600	288500	83194	129700	89870	91812	59620	56960
N-Feruloyl-3-methoxytyramine	13790	10810	11710	15390	24450	8010	29350	30170	21760	24420	14770	26670
D-Panthenol	9249	5553	7784	16770	9812	12390	28180	12660	19070	27590	24500	24010
Genistein	27100000	25280000	24260000	16390000	36550000	37020000	13520000	16800000	20950000	11740000	19550000	15510000
Esculin	73980	104200	67310	126100	81590	88800	25060	45510	50710	30220	23190	31460
Luteolin	69670	77740	69950	126500	145200	154800	10500	92280	38650	14570	9305	22640
Diosmetin	1303000	2183000	3104000	4108000	5233000	6153000	16300	1194000	1648000	221800	54650	71840
p-Coumaric Acid	41710	70590	25650	23010	45050	61850	12232	10890	26940	8756	7061	17875
Vanillic acid	12360	11570	8206	8495	52420	11870	5231	6743	11510	3239	6007	7762
3,4-Dihydroxyphenylacetic acid	46110	37480	52120	60490	75290	48120	47010	32490	40280	26800	35310	29880
Isovitexin	26160	13110	14380	9169	10640	11646	11410	5245	7439	8215	3208	9020
Scutellarein	42610	58140	57800	55130	66770	82290	23950	35490	44380	11980	27340	26620
Engeletin	33710	40600	46480	31460	71320	59810	10460	13830	24800	4403	16510	11680
Calceolarioside B	52110	41010	52460	76590	50560	82960	19720	25350	47560	17810	15880	25820
Neobavaisoflavone	671100	739400	225800	379300	510300	562400	34830	67380	875400	119500	19100	175200
Sesamoside	8126	26140	25470	27000	29850	30310	3138	8689	8713	5759	7925	3816
Uridine 5'-monophosphate	115800	55460	66110	70050	23540	27880	99930	79730	127400	94280	117000	159000
Danshensu	5148	14770	11380	22320	3393	12960	8187	9781	2441	2454	1714	3245
L-Asparagine	1657000	4083000	4221000	1912000	6786000	2459000	5779000	2485000	14100000	5821000	7874000	7489000
Vitamin C	42920	46880	22840	25660	23160	18840	65750	36380	35000	40770	62980	54940
2,6-Dihydroxypurine	108000	411900	132500	190400	204400	213700	89600	115200	131800	90110	82010	139000
L-Arabinitol	80980	75090	66190	82260	98040	52920	60070	47490	30330	55050	64310	47520
D-Glucuronic acid	265200	270300	168000	130500	179500	141800	392600	260800	154000	293900	334800	401400
Succinic acid	2790000	2621000	3242000	3558000	2270000	2930000	4031000	2932000	4793000	3528000	3559000	4871000
Creatine	7018	6109	2724	5956	2498	8031	1618	5973	2591	1554	1809	2782
GA7-1	4997000	3413000	4243000	7283000	6034000	5985000	1581000	2785000	1890000	2185000	2623000	1425000
Guanine	37420	56620	26770	51320	31320	55730	26860	16850	45750	7422	11050	23020
Sakuranetin	29790	46930	64330	58700	51790	58880	30420	42990	31850	39510	35970	33800
3-Hydroxyanthranilic Acid	38540	36180	40600	43740	93750	49990	35160	36820	21240	33820	32740	17430
3-Hydroxybutyrate	5108000	9837000	7455000	9050000	5182000	7603000	4381000	5901000	2516000	3413000	3258000	5690000
Fructose bisphosphate	63850	40470	87170	35900	48470	77460	32320	26130	44780	38390	27000	25680
9(S)-HOTrE	109700	74970	73710	73360	68410	71970	17520	70580	31100	35290	25850	25110
Sinapoyl malate	6279	6929	8012	8796	17320	14720	7191	7017	5205	5001	6083	6447
gamma,gamma-Dimethylallyl pyrophosphate	217300	226400	93150	228800	132300	82080	77800	94540	90970	136400	57580	90950
DL-o-Tyrosine	71540	100400	71150	89670	116700	48970	49750	44060	58340	59030	41290	35670
Glutaric Acid	973500	574800	903700	660300	849200	1180000	400400	384200	505300	379300	266900	432400
L-Cysteinesulfinic acid	4969	10810	9323	10391	10270	10939	21270	9390	11090	13550	15980	12430
Lysope 16:0	1019	1357	1542	11859	916	12243	9924	40990	1947	6420	39200	35440
N-Acetylphenylalanine	56610	119000	77340	88230	124200	107900	42430	53150	83400	50240	32950	53140
O-Phospho-L-Tyrosine	21290	14490	15720	8960	24360	34630	15160	2843	13230	5095	15980	6448
Ribose 1-phosphate	230200	198400	176900	108200	105200	79540	452100	165000	134800	345100	377000	353800
UDP-galactose	1017000	151800	678600	522000	55190	108900	797500	787100	775300	851800	1239000	1523000
Echinacoside	7875	5174	17350	5934	14441	5976	2798	5923	7426	3845	4539	3292
Methyl protocatechuate	97430	131400	73890	128000	144400	238400	32153	49860	38410	29530	12220	17190
D-Panthotenate	208000	210300	152600	165100	184100	103200	93340	74970	131000	85030	120300	165500
Oxyresveratrol	197900	529000	220500	349800	228900	331700	143300	178100	243100	219500	176400	206400
4-Methoxysalicylic acid	37410	49250	55260	38300	64130	27890	15320	26610	64590	18960	10830	24520
Propylparaben	5530	16700	8998	20650	13950	20370	16550	35540	14330	48540	38900	27930
3,5-Dimethoxyphenol	9464	15560	8895	5819	9636	8965	6411	6124	2725	6138	4769	7414
Calycosin	10000000	13270000	16440000	20210000	28670000	33970000	342000	9156000	5213000	1639000	358300	368700
Hastatoside	13960	13150	22730	49370	25020	41750	7043	11040	10630	2732	3933	2315
Naringenin chalcone	229600	237200	164700	193800	296400	281700	71450	131400	198100	71300	91050	179400
Eriodictyol	13420	13310	14700	7802	8770	17250	4044	5301	9817	5672	5014	3453
L-Sorbose	91460	52150	71080	54530	39890	24740	130800	64180	40120	128700	121300	163600
p-Hydroxy-cinnamic acid	14940	88190	37060	33160	74990	42890	7715	13130	9378	10990	6269	16860
Apigenin 4-O-rhamnoside	4983	6083	6260	10870	13480	14870	5000	3308	3335	2279	5435	5572
Apigenin 5-O-glucoside	254600	144900	133600	129300	173800	164500	73930	127800	126300	75480	107400	71530
Apigenin	2160000	2113000	2048000	1614000	3070000	3067000	1186000	1620000	1785000	1172000	1452000	1459000
Fisetin	143600	154200	177200	98000	131900	272100	62660	89130	171600	73790	88490	102200
Glycitein	15460	16130	18730	11870	12448	13095	9830	13600	10170	12590	10610	13270
Kaempferol	20050	23420	23460	21580	47700	33890	8589	21070	10670	10860	15020	8890
Naringenin	51460	39640	35090	29090	55150	65810	9120	20760	39200	9988	19630	48240
Puerarin	334700	147200	195800	169000	334700	308600	104900	153000	145000	177200	90020	146400
Luteolin 7-O-glucoside	179700	131700	200700	200100	213800	259400	77160	141600	127800	92710	75780	152600
Acetyl tryptophan	52560	69340	62810	106700	136900	105300	12480	57680	62440	34810	37020	17350
Myristoleic acid	66340	60090	69940	383000	98870	118600	30610	74770	19600	53820	21340	99250
9,10-EODE	11400	10090	8180	9903	8511	9191	6874	6025	6407	4012	6239	5342
13(S)-HOTrE	202400	175300	161800	171800	185100	202000	57080	217900	100600	123800	85110	67810
9-KODE	226300	181800	165100	160800	189100	197600	50020	232900	106900	121900	82910	71360
12,13-EODE	1533000	1192000	1138000	1281000	1191000	1390000	283700	968300	494900	566200	369200	307300
13-HPODE	45170	53040	37030	41230	41140	45630	24670	24990	32720	39010	30460	29710
UDP-D-glucose	898000	140700	419500	335700	47220	69880	670600	421200	425000	692400	620100	997300
Gallic acid O-Hexoside	101000	45220	137800	44850	152800	120700	5965	46940	3948	45490	3926	4246
Pelargonidin O-acetylhexoside	600500	449200	421500	489300	1053000	1096000	169100	286200	487200	152900	244000	315500
Acetyl-eriodictyol O-hexoside	31440	22060	35520	29260	28870	39680	15040	23140	28400	21200	22280	21530
O-p-coumaroyl-O-salicyloyl quinic acid	19350	26570	5298	16970	14370	22440	4083	7422	8647	3827	7051	10320
5-O-p-coumaroyl quinic acid O-hexoside	7899	7410	7863	7848	5363	14290	6518	5981	4347	2797	5383	5969
3-O-p-coumaroyl quinic acid O-hexoside	6166	5752	9693	3569	7571	18290	3775	6617	4273	3265	4211	3241
Salicylic acid O-glucoside	206000	192200	238700	230200	369000	225300	100500	139300	158100	158500	100600	157700
Di-O-methylquercetin	3976000	4209000	3465000	5737000	4259000	4568000	1733000	2222000	2493000	2443000	2049000	2128000
LysoPE 16:0 (2n isomer)	2648	8806	4705	11161	7703	1720	9063	44480	6360	7369	39260	32890
Kaempferol 3-O-robinobioside	23300	21120	51330	28980	14320	29190	9129	6506	13160	8278	13989	9008
Isohemiphloin	31190	45760	28940	8135	23930	34020	5448	9278	22650	5800	4451	25870
2'-Hydroxydaidzein	1077000	1234000	703000	1243000	1894000	1916000	175300	1089000	342600	169700	178100	544380
Trifolin	140300	120900	107300	132100	121000	144500	33260	73850	79410	42710	51060	69010
2'-Hydroxygenistein	1362000	1827000	1808000	2833000	3350000	3873000	134700	1979000	892200	292300	231100	403600
Prunetin	614900	496900	711700	1007000	998500	1797000	137600	383500	378500	192000	135600	195800
Butin	180400	172500	146900	139200	213500	235200	59640	101300	174700	59400	98690	161200
Chrysophanol 8-O-glucoside	37900	16540	14650	12580	31530	27080	8359	11850	14730	5972	6380	9528
Isomucronulatol-7-O-glucoside	12110	10030	10960	21300	8207	23600	6981	8396	10663	7213	6627	9318
Medicarpin	459800	245100	191200	227900	606100	914000	90120	467600	179300	120600	119800	135400
Pinoresinol Diglucoside	39120	40840	44470	81700	113000	73840	11000	43340	23960	19650	9427	8829
Crocetin	62110	45540	45920	71240	60950	49030	18610	19380	37010	33380	28640	37230
Coumestrol	57700000	52000000	43270000	63530000	60470000	71340000	17900000	46710000	39960000	22500000	17960000	34880000
Purpureaside C	15190	4645	12940	3901	21600	7562	5888	5193	3328	4426	2375	3289
1,7-Dimethylxanthine	99530	118200	90400	105700	87390	90110	72600	78650	81920	80550	81380	81450
D-3-Phosphoglyceric acid	343400	769400	178200	300900	217900	328200	79540	117200	110700	263100	66320	74480
D-Xylulose	6033000	5531000	5949000	6886000	8330000	5585000	4979000	3730000	2392000	4207000	4291000	4285000
Heptamethoxyflavone	222000	332600	259900	142100	428100	453200	65960	139300	131000	67570	103700	88180
Kuwanon A	27180	26110	25660	30120	10870	17120	8076	12300	13290	9748	11740	9701
Physcion 8-O-Beta-D-Monoglucoside	159700	176000	285100	383500	160200	691100	6628	63540	61120	40970	10910	21410
Cyclic AMP	137700	184100	222300	91820	97620	111900	387300	132800	217300	151400	281200	594400
Succinic anhydride	4984000	7020000	7191000	10440000	6492000	11070000	3748000	4972000	6313000	4686000	3083000	4975000
3-O-p-coumaroyl shikimic acid O-hexoside	14650	10280	7411	8356	6819	14860	4767	7879	8118	4358	7701	5593
2-Oxoadipic acid	93580	145100	121400	141800	63810	116400	75350	76600	96290	93910	58470	62190
2-Aminoethanesulfonic acid	48260	41490	22020	63350	45470	59780	24320	31370	40770	20270	17620	31190
N alpha-Acetyl-L-glutamine	871300	1194000	625300	1536000	1341000	1634000	610500	475900	802600	743200	629000	623400
13(S)-HODE;13(S)-Hydroxyoctadeca-9Z,11E-dienoic acid	1618000	1392000	1290000	1583000	1455000	1878000	443300	1694000	846100	967900	609400	549800
p-Coumaric acid-4-O-glucoside	15810	8912	9972	16960	8368	18220	6113	6688	6790	4721	6589	3301
6'-O-Feruloyl-D-sucrose	135100	280000	261200	274700	156400	431400	74900	73430	192400	175900	62460	91650
9S-Hydroxy-10E,12Z-octadecadienoic acid	2657000	2352000	2067000	2839000	2449000	2964000	783500	2685000	1425000	1636000	1095000	1025000
Sieboldin	24700	15670	9070	13340	23100	54090	6067	14540	12670	10260	3751	3252
1-O-Gentisoyl-D-glucoside	189600	78410	187000	89450	244500	148600	23800	35940	38090	122200	22620	36230
Eicosenoic acid	64930	121300	49170	48900	31300	56740	30180	36520	16810	25620	53170	22660
9,10,13-Trihydroxyoctadec-11-enoic acid	5539000	6095000	5018000	7761000	6747000	6660000	2964000	3527000	4183000	4360000	3698000	3677000
UDP-D-xylose	167000	33430	56890	60320	11960	8818	184700	81150	64700	113300	124600	188000
Koaburaside	72760	67110	100900	91400	120300	158900	10630	64500	34620	35460	17950	11980
Ribose 5-phosphate	14190	35570	38860	48820	18930	21430	30470	27900	92290	61440	110200	48180
Ayapin	55600	59540	39340	99220	65340	80250	39290	30990	38350	34190	20470	32000
2-O-Caffeoylmalic acid	27920	22810	45330	27380	24570	25520	18830	15090	15260	16590	12480	21880
Eucommiol	215000	366200	207600	503000	426300	407400	187800	192400	234000	210100	157200	200100
Eicosadienoic acid	92240	123700	82990	221500	123500	161600	84221	70870	70160	65410	58580	91130
1-O-Galloyl-D-glucose	36090	26130	28470	28620	64110	50040	9117	25510	18980	12970	12240	6919
12(13)-EpOME	2791000	2216000	2121000	2620000	2378000	2952000	788600	2773000	1457000	1743000	1073000	953000
2,6-Dimethyl-7-octene-2,3,6-triol	224900	391000	240100	418200	426200	433500	193000	168100	244800	250600	194500	231500
3-O-p-Coumaroylquinic acid	24440	12330	8972	10730	9306	6841	4613	6456	7128	5148	5807	10570
N-Acetyl-L-Tryptophan	252100	311000	398700	481700	558500	416700	92110	175900	178700	117800	148400	78460
Gossypetin	10532	8597	6976	11590	33470	15580	6425	9626	8492	5068	5917	6511
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	log2(GH3_61/CK)	P-value	VIP
Adenosine	1.46	0.031395	1.282861
Cytidine	0.55	0.009719	1.493513
Colchicine	0.42	0.035394	1.359332
Indole-3-acetic acid	-1.39	0.002038	1.786773
Calycosin-7-O-beta-D-glucoside	-1.83	0.000733	1.748456
Schaftoside	-0.55	0.045846	1.258371
L-Ornithine	1.28	0.023806	1.423453
DL-Citrulline	0.88	0.026091	1.378482
beta-Nicotinamide Mononucleotide	3.35	0.001983	1.694715
L-arginine	0.86	0.022821	1.406098
DL-Norvaline	0.74	0.026472	1.361061
Phe-Phe	0.82	0.012969	1.468894
Sattabacin	-0.92	0.030757	1.340898
1,2-Benzenedicarboxylic acid	0.61	0.034295	1.312904
Nicotinate ribonucleoside	-0.66	0.014714	1.483683
NG,NG-Dimethyl-L-arginine	0.62	0.022921	1.422723
2-Hydroxy-6-Aminopurine	1.24	0.007958	1.551853
N-(2-Hydroxyethyl)iminodiacetic acid	-0.67	0.028435	1.317451
L-Valine	1.05	0.006795	1.597553
2,6-Diaminooimelic Acid	0.8	0.02477	1.378584
Indole-3-acetamide	0.8	0.008685	1.525941
dUDP	-0.74	0.04704	1.280057
DIMBOA glucoside	-1.52	0.000685	1.830932
14,15-Dehydrocrepenynic acid	-0.53	0.048447	1.310099
10-Formyl-THF	-0.56	0.008712	1.515118
Benzamidine	0.63	0.041831	1.255814
Acetaminophen	1.07	0.020515	1.409265
1-Methylhistidine	1.99	0.001943	1.73761
S-Adenosyl-methionine	1	0.03365	1.31752
Pro-Leu	-1.09	0.01381	1.503263
N2-Acetyl-L-lysine	-0.4	0.042008	1.249441
N-Methyl-a-aminoisobutyric acid	0.78	0.019468	1.417096
L-Methionine sulfone	-0.53	0.04385	1.341266
L-Methionine Methyl Ester	-0.5	0.043151	1.272479
L-Cystathionine	-0.82	0.040012	1.296351
Homoserine	0.82	0.049478	1.238136
Valine	0.74	0.029779	1.342725
methyl oxo pentanoate	-0.49	0.015103	1.430131
Trimethylamine N-oxide	0.86	0.025982	1.390184
Alpha-Linolenic acid	-0.5	0.035252	1.354068
UDP-N-acetylglucosamine	0.69	0.048303	1.26743
2-Deoxy-D-galactose	-0.48	0.028998	1.325589
dAMP	-1.65	0.001354	1.748929
dCMP	1.05	0.015655	1.444436
thiamine phosphate	1.45	0.04873	1.244079
D-Glucosamine	-0.42	0.014746	1.415533
Cephalotaxine	-1.53	0.004411	1.588603
Deoxyarbutin	0.61	0.010469	1.516689
2-Ethyl-3-hydroxy-4H-pyran-4-one	-0.6	0.023338	1.396155
Dictamnine	0.79	0.012897	1.514929
Alnustone	-0.5	0.025209	1.32006
Homoplantaginin	-1.28	0.013249	1.485088
Tabersonine	-2.43	0.001577	1.749489
Aloperine	0.58	0.015301	1.464168
D-Serine	0.46	0.019285	1.425593
3-Hydroxy-9,10-Dimethoxypterocarpan	-1.93	0.002998	1.718721
4',6,7-Trihydroxyisoflavone	-0.83	0.042313	1.326932
Indirubin	3.14	0.041677	1.343428
Homoharringtonine	-0.84	0.005828	1.545103
Pratensein-7-O-glucoside	-1.44	0.017312	1.425093
Prim-O-glucosylcimifugin	-1.85	0.004641	1.614579
Oxymatrine	1.14	0.02084	1.434353
Oxysophocarpine	2.77	0.008776	1.598008
ladanein	-2.33	0.006624	1.623386
Histidinol	-1.14	0.046327	1.261309
delta-Tridecalactone	-0.7	0.002782	1.638438
Caffeic aldehyde	-0.52	0.040017	1.306648
N-hexosyl-p-coumaroyl putrescine	0.54	0.034095	1.385093
N-p-Coumaroyl agmatine	-0.6	0.048867	1.269143
5-O-p-Coumaroyl shikimic acid	-1.19	0.004176	1.578587
Gallocatechin-gallocatechin	-1.66	0.005108	1.624355
Punicic acid	-0.56	0.032904	1.370667
Cocamidopropyl betaine	-0.99	0.016433	1.436871
MAG (18:1)	1.56	0.034229	1.224215
N-Formylkynurenine	1.24	0.0433	1.271156
Diethyl glutarate	-0.46	0.02408	1.35328
DL-threitol	-0.55	0.032502	1.331304
Guanosine monophosphate	1.54	0.009012	1.548769
Methionine sulfoxide	1.08	0.025151	1.375699
trans-Aconitic acid	-0.28	0.048569	1.227393
Methylguanidine	0.97	0.028506	1.331765
Sissotrin	-1.88	0.003921	1.635608
Peonidin O-hexoside	-1.9	0.005039	1.618188
Feruloylcholine	-0.79	0.019812	1.492386
Cyanidin 3-O-malonylhexoside	-1.48	0.015024	1.443745
(-)-Norepinephrine N-hexoside	-1.38	0.000593	1.815841
18-Nor-4,15-dihydroxyabieta-8,11,13-trien-7-one	-1.91	0.001974	1.684393
2-Amino-1,3,4-tetradecanetriol	-0.91	0.002613	1.746361
2'-Deoxycytidine	-1	0.011132	1.487886
3,7-Dimethoxykaempferol-C-glucoside	-1.4	0.004722	1.616197
4-Methylumbelliferyl phenylphosphonate	-0.54	0.029067	1.364923
Apigenin O-malonylhexoside	-1.05	0.016446	1.450177
Apo-13-zeaxanthinone	-0.72	0.012468	1.497527
Chinese bittersweet alkaloid II	0.92	0.00086	1.774973
Chrysoeriol 5-O-hexoside	-1.58	0.007798	1.535894
D-Ala-D-Ala	0.55	0.009226	1.495319
DL-threo-beta-Methylaspartic acid	-0.97	0.021002	1.358265
IAA-Asp	-1.37	0.00034	1.8364
Kaempferol 3-O-glucoside-2‘-O-rhamnoside	-1.39	0.008936	1.561742
L-Homocystine	1.29	0.028235	1.299551
Luteolin O-malonylhexoside	-1.5	0.009117	1.520915
N8-Acetylspermidine	-0.35	0.03148	1.409414
N-Acetyl-5-hydroxytryptamine	0.75	0.026551	1.349543
Naringenin O-malonylhexoside	-0.9	0.026978	1.376163
N-Feruloylcadaverine	-0.47	0.038625	1.345779
N-p-Coumaroylspermidine	-1.39	0.000778	1.765152
Ononin	-0.58	0.026905	1.307841
Phellodenol H	-0.44	0.009391	1.522161
Pyridoxine	-0.86	0.016118	1.533387
Quercetin-3,4'-O-di-beta-glucopyranoside	-1.74	0.000538	1.830636
Threonyl carbamoyl adenosine	-0.57	0.007391	1.545937
Tricin O-malonylhexoside	-1.07	0.021547	1.377338
Yamogenin	-0.56	0.045758	1.242221
4-Hydroxybenzoate	-0.46	0.037845	1.232686
Fustin	-0.73	0.010943	1.515607
N-Sinapoyl agmatine	0.89	0.042237	1.308418
Chrysoeriol O-malonylhexoside	-1.71	0.008344	1.53277
N-Methylnicotinamide	-0.74	0.036729	1.345601
D-Threonine	1.08	0.015257	1.444467
Auramine	-0.38	0.016279	1.426212
Benzyl cinnamate	0.74	0.000548	1.819653
Coumalic acid	-0.49	0.020335	1.393504
Pyridoxine O-glucoside	-1.68	0.000946	1.772967
Chrysoeriol 7-O-hexoside	-1.53	0.009038	1.536782
Tricetin O-malonylhexoside	-1.42	0.000509	1.813605
N-p-Coumaroylputrescine	1.45	0.049439	1.306277
Phytocassane C	-0.74	0.015539	1.453407
1,5-Diaminopentane	2.03	0.018485	1.477182
L-Alanyl-L-Phenylalanine	0.66	0.027934	1.284977
2'-Deoxyinosine 5'-phosphate	-0.85	0.030856	1.333006
Isohyperoside	-1.27	0.001069	1.767541
L-Leucyl-L-phenylalanine	0.58	0.001888	1.696391
Elemol	-0.3	0.002721	1.651495
Luteolin-4'-O-glucoside	-1.2	0.001986	1.713956
N-Feruloyl-3-methoxytyramine	0.8	0.010154	1.502753
D-Panthenol	1.14	0.002054	1.762172
Genistein	-0.76	0.007125	1.561743
Esculin	-1.39	0.000104	1.935937
Luteolin	-1.77	0.00287	1.717073
Diosmetin	-2.78	0.003777	1.658084
p-Coumaric Acid	-1.67	0.001426	1.745609
Vanillic acid	-1.37	0.041283	1.281295
3,4-Dihydroxyphenylacetic acid	-0.59	0.010343	1.460064
Isovitexin	-0.93	0.019268	1.385872
Scutellarein	-1.09	0.002441	1.709219
Engeletin	-1.79	0.000626	1.805139
Calceolarioside B	-1.22	0.001034	1.750531
Neobavaisoflavone	-1.25	0.019725	1.410269
Sesamoside	-1.94	0.000618	1.810935
Uridine 5'-monophosphate	0.91	0.017578	1.421227
Danshensu	-1.33	0.040645	1.327701
L-Asparagine	1.04	0.047517	1.298148
Vitamin C	0.71	0.02055	1.377746
2,6-Dihydroxypurine	-0.96	0.017784	1.488479
L-Arabinitol	-0.57	0.01456	1.461473
D-Glucuronic acid	0.66	0.038412	1.252783
Succinic acid	0.44	0.014639	1.498233
Creatine	-0.98	0.034687	1.399282
GA7-1	-1.35	0.000135	1.891444
Guanine	-0.98	0.020758	1.417323
Sakuranetin	-0.53	0.020118	1.416047
3-Hydroxyanthranilic Acid	-0.77	0.022915	1.361328
3-Hydroxybutyrate	-0.81	0.008473	1.614134
Fructose bisphosphate	-0.86	0.008474	1.46653
9(S)-HOTrE	-1.2	0.001122	1.806674
Sinapoyl malate	-0.74	0.030495	1.322155
gamma,gamma-Dimethylallyl pyrophosphate	-0.83	0.038972	1.320449
DL-o-Tyrosine	-0.79	0.005581	1.576422
Glutaric Acid	-1.11	0.00024	1.831474
L-Cysteinesulfinic acid	0.56	0.046838	1.293402
Lysope 16:0	2.21	0.038535	1.236658
N-Acetylphenylalanine	-0.86	0.006282	1.58622
O-Phospho-L-Tyrosine	-1.02	0.042259	1.188262
Ribose 1-phosphate	1.02	0.026515	1.369765
UDP-galactose	1.23	0.023956	1.375659
Echinacoside	-1.02	0.02825	1.329639
Methyl protocatechuate	-2.18	0.000175	1.886469
D-Panthotenate	-0.61	0.023617	1.39602
Oxyresveratrol	-0.67	0.033495	1.355181
4-Methoxysalicylic acid	-0.75	0.038902	1.2946
Propylparaben	1.07	0.027224	1.322007
3,5-Dimethoxyphenol	-0.79	0.016749	1.489859
Calycosin	-2.84	0.001512	1.747843
Hastatoside	-2.13	0.001481	1.724581
Naringenin chalcone	-0.91	0.006662	1.608936
Eriodictyol	-1.17	0.001523	1.706945
L-Sorbose	0.95	0.049617	1.238018
p-Hydroxy-cinnamic acid	-2.17	0.000809	1.815564
Apigenin 4-O-rhamnoside	-1.18	0.008445	1.528316
Apigenin 5-O-glucoside	-0.78	0.004889	1.62976
Apigenin	-0.69	0.003458	1.655283
Fisetin	-0.73	0.027072	1.350004
Glycitein	-0.32	0.038714	1.344271
Kaempferol	-1.17	0.00184	1.737388
Naringenin	-0.91	0.028686	1.380504
Puerarin	-0.86	0.010967	1.48186
Luteolin 7-O-glucoside	-0.82	0.003522	1.664005
Acetyl tryptophan	-1.26	0.009283	1.539883
Myristoleic acid	-1.41	0.042183	1.30913
9,10-EODE	-0.71	0.000303	1.865542
13(S)-HOTrE	-0.75	0.010825	1.557954
9-KODE	-0.75	0.016396	1.501739
12,13-EODE	-1.36	0.000304	1.880888
13-HPODE	-0.53	0.001382	1.723236
UDP-D-glucose	1	0.040561	1.280236
Gallic acid O-Hexoside	-2.44	0.00224	1.696871
Pelargonidin O-acetylhexoside	-1.31	0.004238	1.627896
Acetyl-eriodictyol O-hexoside	-0.5	0.013701	1.449033
O-p-coumaroyl-O-salicyloyl quinic acid	-1.34	0.011303	1.561124
5-O-p-coumaroyl quinic acid O-hexoside	-0.7	0.024354	1.404258
3-O-p-coumaroyl quinic acid O-hexoside	-1	0.037985	1.294003
Salicylic acid O-glucoside	-0.84	0.001246	1.734289
Di-O-methylquercetin	-1	1.27E-05	1.992197
LysoPE 16:0 (2n isomer)	1.92	0.028511	1.254727
Kaempferol 3-O-robinobioside	-1.48	0.000828	1.739636
Isohemiphloin	-1.22	0.032438	1.355825
2'-Hydroxydaidzein	-1.69	0.002604	1.747268
Trifolin	-1.13	0.00023	1.903112
2'-Hydroxygenistein	-1.93	0.002875	1.715496
Prunetin	-1.98	0.00042	1.830522
Butin	-0.73	0.019137	1.447105
Chrysophanol 8-O-glucoside	-1.3	0.003923	1.641816
Isomucronulatol-7-O-glucoside	-0.8	0.025721	1.362189
Medicarpin	-1.24	0.031508	1.371906
Pinoresinol Diglucoside	-1.75	0.001851	1.723312
Crocetin	-0.94	0.001067	1.732168
Coumestrol	-0.95	0.003025	1.712006
Purpureaside C	-1.42	0.020988	1.368944
1,7-Dimethylxanthine	-0.31	0.002052	1.748002
D-3-Phosphoglyceric acid	-1.58	0.003482	1.664783
D-Xylulose	-0.68	0.002578	1.667408
Heptamethoxyflavone	-1.62	0.000586	1.827038
Kuwanon A	-1.07	0.002425	1.713755
Physcion 8-O-Beta-D-Monoglucoside	-3.18	0.000393	1.842452
Cyclic AMP	1.06	0.038769	1.288631
Succinic anhydride	-0.76	0.008913	1.532491
3-O-p-coumaroyl shikimic acid O-hexoside	-0.69	0.02548	1.406636
2-Oxoadipic acid	-0.55	0.034928	1.307025
2-Aminoethanesulfonic acid	-0.76	0.028029	1.377138
N alpha-Acetyl-L-glutamine	-0.89	0.006231	1.550394
13(S)-HODE;13(S)-Hydroxyoctadeca-9Z,11E-dienoic acid	-0.85	0.007166	1.60807
p-Coumaric acid-4-O-glucoside	-1.19	0.001405	1.718964
6'-O-Feruloyl-D-sucrose	-1.19	0.00839	1.503663
9S-Hydroxy-10E,12Z-octadecadienoic acid	-0.82	0.005586	1.641946
Sieboldin	-1.46	0.019437	1.410483
1-O-Gentisoyl-D-glucoside	-1.74	0.00165	1.680086
Eicosenoic acid	-1	0.019388	1.473339
9,10,13-Trihydroxyoctadec-11-enoic acid	-0.75	0.000105	1.898995
UDP-D-xylose	1.16	0.032793	1.31376
Koaburaside	-1.8	0.001221	1.758886
Ribose 5-phosphate	1.05	0.043595	1.28932
Ayapin	-1.03	0.00157	1.712074
2-O-Caffeoylmalic acid	-0.79	0.001791	1.689368
Eucommiol	-0.84	0.007439	1.558328
Eicosadienoic acid	-0.87	0.006154	1.590481
1-O-Galloyl-D-glucose	-1.44	0.001636	1.726097
12(13)-EpOME	-0.77	0.00935	1.569075
2,6-Dimethyl-7-octene-2,3,6-triol	-0.73	0.006251	1.559627
3-O-p-Coumaroylquinic acid	-0.87	0.027287	1.403445
N-Acetyl-L-Tryptophan	-1.61	0.000106	1.90222
Gossypetin	-1.04	0.034197	1.318741
METABOLITES_END
#END