Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2
10,16-Dihydroxy-hexadecanoate	96796673.61	94219435.06
10,20-Dihydroxyeicosanoic acid	2602842.86	1335579.71
10-Dehydrogardenoside	84982368.81	91994346.30
(10E,12E)-9,14-Dioxo-10,12-octadecadienoic acid	292814572.18	257593140.67
10-Hydroxy-8-nor-2-fenchanone glucoside	9373384.74	10093921.84
(+)-(10R)-7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochrom...	3934699.61	3214512.50
1,10-Bis(carboxymethylthio)decane	6855639.25	6425265.50
11^-Carboxy-alpha-chromanol	1244903.85	2903554.97
11-Dehydro-2,3-dinor-txb2	52919104.25	60248571.59
11-deoxy PGF2alpha	2226040.51	1509180.17
(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside	80586538.54	38083524.88
12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol	5966107.11	2931720.25
1,2,3,4-Tetrafluorobenzene	30730955.98	35004010.31
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	6816959.07	2115457.66
1,2,3-Trimethoxybenzene	22858092.79	41872859.03
12alpha-Methylpregna-4,9(11)-diene-3,20-dione	3139369.14	4377128.37
12beta,20-Dihydroxy-16beta-Acetoxy-17-scalaren-19,20-olide	32186781.01	5096605.34
1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol	995406.02	1816695.34
1,2-Bis-O-sinapoyl-beta-D-glucoside	57559986.15	15155294.21
1,2-Cyclohexanedione	18124555.18	21633772.57
1,2-dihydroxydibenzothiophene	8842393.72	3546645.15
1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene	3315752.98	5000287.49
12-epi-19-O-methyldeoxoscalarin	13816421.84	14321766.94
12-epi-19-O-methylscalarin	54977403.98	28553766.86
12-hydroxystearic acid	109483924.53	83845801.57
12-Methoxyajmaline	11791781.89	9762607.77
12-sulfooxy-9,10-dihydrojasmonic acid	5623946.50	11434636.92
12Z-Tridecenoic acid	18130996.03	18128901.35
13,14-dihydro-PGF2alpha	181911387.12	207908915.33
1-(3,4-Dimethoxyphenyl)-1,3-propanediol	1327292.53	1116381.86
1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol	4526052.40	7241513.14
1,3,5,6-Tetrahydroxy-8-methylxanthone	426610.74	1049371.48
13-HOTrE	387107222.33	255248474.80
13-Hydroxydocosanoic acid	33655880.10	70180093.21
1-(3-Methylbutanoyl)-6-apiosylglucose	72244526.72	61032742.16
13-Methyltetradecanoic acid	167551761.30	250888639.68
13(S)-HODE	118027874.28	71337024.84
14,19-Dihydroaspidospermatine	7049846.16	5205787.82
14alpha-Hydroxyixocarpanolide	3552245.07	4025081.62
1,4-Bis(2-ethylhexyl) sulfosuccinate	5947818.76	3827545.26
1,4-Dihydroxy-2-naphthoic acid	1165737.00	1265857.10
1,4-Dioxane-2,5-diol	43296128.83	106928205.41
1-(4-Methoxyphenyl)-1-penten-3-one	4518137.55	5914976.75
15-Acetoxyrudmollin	1499144.24	2535150.96
1,5-Dibutyl methyl hydroxycitrate	11659227.00	3434549.53
15-HEDE	8416286.55	8466609.88
15-keto-2,3,4,5-tetranor-PGF2alpha	18965608.43	27591944.68
1,5-Naphthalenediamine	5806064.75	5291276.19
16:0 LYSO-PE	754449067.00	794741226.40
16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol	270056151.22	387550120.43
1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one	49004119.48	84267390.24
16-HDoHE	13098770.34	20456744.89
17beta-hydroxy-5beta-estran-3-one	14315656.10	10711222.40
19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester	1887412.12	233456.16
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol	8368867.08	11743769.16
19-hydroxy-2,3-dinor-6-oxo-PGF1alpha	34767211.02	40271845.84
19-Hydroxycinnzeylanol 19-glucoside	1402770.33	1636700.24
1alphaH,5alphaH-Guaia-6-ene-4beta,10beta-diol	5798564.45	5794698.30
1beta-Hydroxyalantolactone	2967882.69	5233222.79
1-heptadecanoyl-glycero-3-phosphoethanolamine	50057854.34	45895396.18
1-heptadecanoyl-sn-glycero-3-phosphate	21106867.81	19519843.86
1H-Indole-3-acetamide	1590605.17	1051942.08
1-Hydroxy-2-(N-acetylcysteinyl)-3-butene	1279225.88	1103720.55
1-Iodoheptane	37137166.70	44156842.52
1-Iodopentane	44861616.92	56731871.47
1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol	55784161.10	79133675.95
1-Methoxy-3-myodesertene	4408593.64	2292698.88
1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate	5424644.39	3752372.86
1-Naphthalenesulfonyl chloride	22859964.87	24761685.73
1-NBD-decanoyl-2-decanoyl-sn-Glycerol	51202330.20	34134519.37
1-Octen-3-yl glucoside	39584560.65	26956578.74
1-O-Galloyl-beta-D-glucose	47063353.57	41505918.92
1-O-Vanilloyl-beta-D-glucose	33635461.84	29402669.44
1-Palmitoyl Lysophosphatidic Acid	246364426.88	156503308.23
1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol	528135398.02	476341507.83
1-Phenyl-2-decanoylamino-3-morpholino-1-propanol	8467933.61	1493487.13
(1R,2R)-1,2-dihydronaphthalene-1,2-diol	859066.17	844172.23
(1R,2R,4R,8S)-p-Menthane-1,2,8,9-tetrol 9-glucoside	56082473.11	25774546.09
(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid	15858854.39	14793691.55
1-(S)-Methylbutyl-beta-D-glucopyranoside	2981134.45	2142799.52
1-Stearoylglycerophosphoglycerol	48766293.97	22115215.52
1-Stearoylglycerophosphoserine	15113951.75	2812654.55
20-hydroxyicosanoic acid	20371908.46	19949335.14
20-hydroxy-PGF2a	34729098.59	30985248.29
(20s)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol	8116000.22	6837003.12
21-hydroxy-heneicosanoic acid	23784849.70	28889436.23
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione	2492512.59	5254638.36
2,2^-(3-methylcyclohexane-1,1-diyl)diacetic acid	46948578.20	41865362.57
2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione	2197089.39	6268410.44
2,3,4,5,2^,3^,4^,6^-Octamethoxychalcone	8901143.79	4713916.89
2,3,4-Trihydroxybenzoic acid	5282838.31	5161971.27
2,3-Bis(3-indolylmethyl)indole	4449860.42	4940665.27
2,3-Butanediol apiosylglucoside	5576354.31	3320715.22
2,3-dicaproin	7626575.97	8629738.40
2,3-Dihydro-5H-oxazolo(3,2-a)thieno(3,2-d)pyrimidin-5-one	51131261.76	51260427.21
2,3-Dkpgf1alpha	89298446.93	95733026.91
23-Nordeoxycholic acid	1354303.83	891690.55
2,4,6-Trihydroxybenzaldehyde	20326075.69	26693452.49
2,4-Diaminobenzenesulfonic acid	38480222.73	43585380.84
2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one	4241526.74	4741843.38
2,4-Dimethoxyquinazoline	1949840.78	4697969.29
2,4-Di-tert-butylphenol	6837343.55	5986904.66
24-Epicastasterone	5999601.61	4588879.82
2-(4-Hydroxyphenyl)-1-nitroethane	5795459.20	4427564.61
2-(4-Methoxyphenyl)ethyl hydrogen sulfate	782860.88	958354.42
(24R)-Ergost-4-ene-3,6-dione	6431091.94	15207732.39
2,5-Dimethoxybenzoic acid	42058183.84	59948871.97
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid	1754267.65	5132009.62
2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol...	73091494.76	40651129.65
2,6-Diamino-9-(2-hydroxyethoxymethyl)purine	16362347.02	14095228.00
2,6-Dihydroxybenzoic acid	297767168.25	156821747.35
2,6-Di-tert-butyl-4-nitrophenol	56635811.97	67375643.12
2alpha-Hydroxytirotundin	6028328.85	5053387.06
2-Amino-2-deoxy-D-gluconate	8729362.48	4873671.22
2-Amino-5-nitrophenol	3084364.88	2219871.08
2-Amino-5-oxohexanoate	21867819.07	18201465.58
2-Amino-5-phosphonopentanoic acid	1207995.04	2354395.47
2-C-methyl-D-erythritol-4-phosphate	344726538.80	239219730.02
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benz...	44938909.54	32019516.23
2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide	4896200.50	5202451.21
2-Deoxy-D-glucopyranose 6-phosphate	2828408.55	7354045.01
2^-Deoxyguanosine	80932136.81	69786456.71
2-Deoxyribose	44431256.52	40977848.17
2-Deoxystreptamine 4-phosphate	810612.99	599533.07
2^-Deoxyuridine	24139823.02	19500088.56
2-Desoxy-4-epi-pulchellin	11782786.83	17687761.32
(2E)-21-hydroxyhenicos-2-enoic acid	13352508.07	20797414.42
2-epi-25-Methyldolichosterone	24036801.62	23649719.64
2-Formaminobenzoylacetate	120775675.13	23288023.10
2-Hexyl-3-phenyl-2-propenal	2081253.97	2451680.69
2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione	2812533.75	2907433.37
2-hydroxy-4-(methylthio)butanoate	141411766.32	215781394.58
2-Hydroxyhexadecanoic acid	654998851.63	486580285.80
2-Hydroxymyristic Acid	14954462.94	14290535.38
2-hydroxyoctanedioic Acid	46473211.26	28891795.42
2-hydroxypentadecanoic acid	28119485.73	31279188.13
2-Hydroxyphenanzine-1-Carboxylic acid	1303919.45	1363386.62
2-Hydroxyphytanic acid	125229008.67	128170773.57
2^-hydroxypyridoxol	36459763.96	33529610.30
2-Keto-D-Gluconic acid	36446586.30	60095505.34
{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfoni...	4246337.04	2927530.25
2-Methoxy-6-acetyl-7-methyljuglone	1190966.58	1957770.33
2-Methoxynaphthalene	1552074.23	1925492.14
2-Methoxyoctadecanoic acid	18934881.93	26154394.91
2-Methyl-4-propyl-1,3-oxathiane	7958412.02	6958494.62
2-n-Propyl-4-oxopentanoic acid	16071417.89	22998806.04
2-O-(alpha-D-Glucopyranosyl)glycerol	4298092.18	5944013.19
2-O-(alpha-D-Mannosyl)-D-glycerate	610571809.38	989134723.12
2-O-beta-D-Glucopyranosyl-L-ascorbic acid	44946265.90	69388269.71
2^-O-Methyluridine	4104301.02	5322006.77
2-Oxo-3-hydroxy-4-phosphobutanoic acid	3496813.85	1534808.94
2-Oxophytanate	48407450.77	32472807.38
2-Oxopimelate	39409778.61	37142046.74
2-palmitoyl-trehalose	16825918.30	22027138.25
2-Phenylethyl beta-D-glucopyranoside	21961319.25	35858562.93
2-Phenylethyl beta-primeveroside	1147271521.67	556277494.90
2-Propenyl 1-(propylsulfinyl)propyl disulfide	8279245.60	8151017.63
(2r,3r,4s,5r,6s)-2-(Hydroxymethyl)-6-Sulfanyl-Oxane-3,4,5-Tr...	22450481.04	28760957.22
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol	6540238.09	6059919.45
3-(2-Carboxyethenyl)-cis,cis-muconate	26361661.21	45744094.13
3,3^,4,5,5^-Pentahydroxystilbene	924271.22	2243313.55
3-(3,4-Dihydroxyphenyl)-1-propanol 3^-glucoside	19307887.48	21261805.01
3,3^-Dichlorobenzidine	38738896.42	48868056.91
3,3^-Dimethylbisphenol A	669675.97	801463.24
3,3-Dimethylglutaric acid	47684165.78	79121575.99
3,4,5-Trimethoxybenzaldehyde	10468814.29	10233929.30
3,4,5-Trimethoxycinnamic acid	1918710.44	2396328.05
3,4-Bis(methoxycarbonyl)benzoic acid	60814799.61	76616433.44
3^,4^-Dihydrooxepino-6^-hydroxybutein	1637101.47	605511.40
3^,4^-Dihydroxyflavone	13561229.04	23511698.76
3,4-Dihydroxymandelaldehyde	3761521.53	7574290.12
3,4-Dimethyl-5-pentyl-2-furannonanoic acid	10556218.23	5335347.61
3,4-Dimethylthiophene	438781.60	405622.86
3-(4-Methyl-3-pentenyl)thiophene	15994312.98	14852331.26
3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-...	18624533.42	92872662.89
3,5-Dihydroxybenzoic acid	60938029.93	64098276.62
3,5-Dihydroxyergosta-7,22-dien-6-one	12987280.45	22449186.86
3-(5^-Methylthio)pentylmalic acid	1286511.68	1451300.22
3,6-dichlorocatechol	3838678.61	6093168.53
3,7-Dimethyl-5-octene-1,7-diol 1-glucoside	12569763.38	10174584.96
3alpha-Hydroxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydropari...	7765415.89	10189896.64
(3beta,24xi)-Cycloartane-3,24,25-triol	1015937.51	3132007.49
3beta,4beta,23-Trihydroxy-24-nor-olean-12-en-28-oic acid	81302196.04	53552513.95
3beta,5alpha,6beta-Cholestanetriol	18423908.41	62376967.41
3-beta-D-Galactosyl-sn-glycerol	56794765.69	37076783.64
(3-Chlorophenyl)hydrazonomalononitrile	40213288.48	68387294.73
3^-Deoxydryopteric acid	9492751.51	12667046.49
3-Deoxy-lyxo-heptulosaric acid	38531891.71	35238215.78
3-Deoxypentosone	3231357.32	3017200.08
(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol	25226729.25	31674312.86
3-Epiphlomurin	15065586.76	10051252.48
3-Ethoxy-3-oxopropanoic acid	9236719.00	7146296.84
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate	11051339.56	17362237.14
3-Hydroxy-4-butanolide	2092516.32	2423360.49
3^-Hydroxyhexobarbital	3970713.45	1932955.61
3-hydroxylaurate	31188034.30	8622543.34
3-Hydroxyphenylaceitic acid sulfate	1708834.93	1594235.18
3-Hydroxyphenylacetate	17583990.48	23085774.10
3-Hydroxysebacic acid	80889874.24	84637618.22
3-Methoxy-4-Hydroxyphenylglycol sulfate	2983470.72	1436095.08
3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol	4256896.63	6514444.75
3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-gluco...	42244335.95	25559912.16
3-Methylcatechol 2-sulfate	595420.95	259359.33
3-Methylhistidine	1566270.53	1989007.10
3-Methyluridine	4916986.49	3800146.36
3-O-(alpha-L-rhamnopyranosyl)-D-ribitol	5151874.38	2808003.39
3-O-alpha-Mycarosylerythronolide B	96280592.58	107929992.51
3-O-methyl-alpha-L-rhamnose	18448011.14	30028436.07
3-O-Methylgallic acid	10821985.92	18423179.67
3-propylbenzene-1,2-diol	8973574.95	16381795.42
(3R)-3,11-dihydroxyundecanoic acid	11586198.88	21277460.38
(3R)-3,20-dihydroxyicosanoic acid	106564606.73	96928984.42
(3R)-3,22-dihydroxybehenic acid	3125653.78	3105896.77
(3R,5R)-3-(((3R,5R)-3,5-dihydroxy decanoyl)oxy)-5-hydroxydec...	144916262.32	259103135.97
(+)-(3R,8S)-Falcarindiol	374920.43	403009.40
(3R)-methyl-7,8-dimethoxy-6-(hydroxymethyl)dihydroisocoumari...	25689373.82	29540881.16
4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid	8218754.45	6890042.38
4,2^-Dihydroxy-3,4^,6^-trimethoxychalcone 4-glucoside	6130242.22	7758688.21
4-(4-Methylcyclohexyl)-4-oxobutanoic acid	14533952.35	17194557.21
4^,5,7-Trimethoxyflavonol	9205592.49	15655554.06
4-(5-Ethyl-thiophen-2-yl)-4-oxo-butyric acid	2394128.70	2946448.37
4,6-Dioxoheptanoic acid	24407513.60	27554715.79
4,6-O-Ethylidene-D-glucose	12237737.03	11973040.89
4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-dio...	6851144.27	6291682.16
4aalpha,7alpha,7aalpha-Nepetalactone	30856018.00	41888963.20
4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol	7535110.14	5090864.92
4-Aminohippuric acid	3498844.66	4218391.82
4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid	69263522.17	45006736.38
4-Chlorophenylacetic acid	2135727.10	43114.95
4-cholesten-7alpha,12alpha,26-triol-3-one	8789250.94	5447473.93
4^-Deoxykanokoside A	11932651.85	7347860.34
4-Fluoro-2-(trifluoromethyl)phenylacetic acid	21067970.74	20235115.31
4-Hydroxybenzoyl glucose	7630878.25	8969326.04
4-Hydroxyphenylacetylglutamic acid	21039745.92	9193235.87
4-Hydroxyphthalate	805269.49	1070479.76
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	8593456.76	8558398.90
4-Methoxyindoxyl sulfate	20841418.15	22719607.09
4-Methoxy-l-phenylalanine	110098271.40	141529024.43
4-Methyl-2-phenyl-2-pentenal	5298515.42	6476706.77
4-Methyldibenzothiophene	5557358.92	9588204.78
4-Methylumbelliferyl phosphate	121205556.07	155693289.22
4-nitrophenylphosphobutanoyl-glycine	16752597.89	1591312.10
4-O-(beta-L-Arabinofuranosyl)-(2S,4S)-4-hydroxyproline	1418637.22	1329379.03
4^-O-Galloylsucrose	4314194.24	6046294.38
4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xy...	51990798.39	27970107.37
4^-O-Methylkievitone	10432431.82	1056084.75
4-Pyridoxic acid	91406331.05	140426520.33
4-Thiouridine	4571732.11	5486396.11
4-(Trifluoromethyl)benzoic acid	22164510.99	26383683.75
(4Z,7Z)-deca-4,7-dien-1-yl hydrogen sulfate	2960137.82	637625.98
5-(10,13-Nonadecadienyl)-1,3-benzenediol	10712761.18	24363621.13
5-(2^-Formylethyl)-4,6-dihydroxypicolinate	24980372.02	33067554.17
5,4^-Dihidroxy-7,8,2^,3^-tetramethoxy flavone 5-glucoside	15117410.40	8119358.59
5,4^-Dihydroxy-6,7,8-trimethoxyflavanone	16606661.59	21326025.37
5,5^,6,6^-Tetrahydroxy-3,3^-biindolyl	1261113.62	5872258.41
5,5-Diphenylbarbituric acid	757725.12	1195554.11
5,6,3^-Trimethoxyflavone	4880309.96	15083109.64
5,6-Dihydro-5-azacytidine	2529458.52	3400203.89
5,6-Dihydroxyprostaglandin F1a	91859388.27	169912551.92
5,6-Dimethoxysterigmatocystin	2704779.68	1441705.44
5,7,3^-Trihydroxy-4^,5^-dimethoxy-6,8-di-C-methylflavanone	11580813.04	17512459.77
5,7,4^-Trihydroxyflavanone 4^-O-rutinoside	13708784.12	9702490.95
5,7-Dihydroxy-4-methylcoumarin	6689216.64	13398629.54
5-(8Z-Heptadecenyl)-1,3-benzenediol	22701258.21	48393161.00
5,9-epi-Penstemoside	23082129.44	8882520.81
5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol	3324408.13	1828558.48
5alpha-Pregnan-3alpha,20beta-diol disulfate	11864095.69	10627007.03
5beta-Cholestane-3alpha,7alpha,24-triol	17259719.91	18911287.29
5-Deoxyeustomoside	56205961.33	18287146.85
5-Deoxylamiol	19639760.28	12725677.19
5-epi-Valiolol 7-phosphate	11498897.48	8505722.24
5-Feruloylquinic acid	89307814.55	39751167.40
5-Hydroxy-6-methoxy-3^,4^-methylenedioxyfurano[2^^,3^^:7,8]f...	6618985.63	4330086.63
5^-Hydroxyasperentin	44669438.87	75390459.52
5-Hydroxycoumarin	928628.37	1130499.37
5-Hydroxyferulic acid	16071362.26	18132726.26
5-Hydroxymethylcytidine	3307815.39	3368629.91
5-HYDROXY TRYPTOPHOL BETA-D-GLUCURONIDE	14781947.43	13553784.62
5-Methylthio-D-ribose	5147481.25	1142999.46
5-methyluridine	21704656.78	19759772.98
5^-O-beta-D-glucosyl dihydroascorbigen	9660428.46	640842.22
5-Phenylvaleric acid	8836828.93	11296159.94
5-Sulfosalicylate	5698285.49	4442565.61
5Z-7-Oxozeaenol	7638215.00	11772594.91
(5Z,8Z)-tetradecadienoylcarnitine	8578476.14	2752591.13
6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2^-O-a...	34168087.78	21796067.32
6-Caffeoylsucrose	15865785.01	30822697.79
6-deoxy-6-sulfoglucono-1,5-lactone	2026937.52	3179190.09
6-Deoxylamioside	140447588.40	109740245.15
6-Desmethylsideroxylin	2503328.40	5543541.42
6-epiophiobolin I	3577838.47	2236833.11
6-Hydroxymelatonin	4367384.85	6058877.57
6-Hydroxymyricetin 6,3^,5^-trimethyl ether 3-glucoside	7045250.16	2288415.57
6-Ketomyristic acid	15154943.76	21571408.86
6-keto Testosterone Enanthate	1173582.28	508740.57
6-Methylcoumarin	10505001.33	10358980.17
6-n-Propyluracil	1273087.84	1888780.81
6^-O-alpha-D-glucopyranosylloganic acid	134997134.87	88168604.56
6^-O-Desmethylterphenyllin	2670921.70	5703538.07
6-O-Veratroylcatalpol	30423508.38	12417039.91
6-Thioinosinic acid	16214183.94	9375748.24
7,11,15-Trimethyl-3-methylene-1,2-hexadecanediol diacetate	27278786.70	30211551.68
7,3^,4^-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucosi...	8405859.86	6013579.14
7,8-Dihydroneopterin	2079899.89	2646239.16
7,8-Dimethoxy-6-hydroxycoumarin	30188070.43	44477140.33
7a,12a-Dihydroxy-5b-cholestan-3-one	16073219.44	34250093.83
7alpha-Hydroxy-3-oxo-4-cholestenoate	20509921.66	20835050.92
7-beta-D-Glucopyranosyloxybutylidenephthalide	2781281.90	4254917.90
7-Demethoxy-7-oxo-albocycline	10624760.26	13447547.65
7-Hydroxychromone	1407485.82	1289434.28
7-HYDROXY-DL-TRYPTOPHAN	12388468.48	12166887.15
(-)-7-Hydroxyspectaline	7064890.91	3350164.54
7-Propoxy-chromen-2-one	11049892.57	11404128.82
(7R,8R)-3-Methoxy-3^,4,7,9,9^-pentahydroxy-8,4^-oxyneolign...	8142922.62	15734754.50
(7S)-Hydroprene	5941682.08	3414783.89
(7Z,10Z)-hexadecadienoylcarnitine	2922292.90	3135469.94
8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one	27434560.80	26623754.50
8-Chloroinosine	302346.54	729526.91
8-Chlororugulovasine A	1703067.11	4398065.98
(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate	260657604.60	185766444.33
8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene	3374787.26	6535872.73
(+)-8-Hydroxy-alpha-conidendric acid methyl ester	48034613.63	18532861.05
8-Hydroxynevirapine glucuronide	31534322.44	13999055.16
9,10,18-Trihydroxyoctadecanoic acid	185144173.23	177012065.48
9,10-Dihydroxystearic acid	69835343.80	41880190.89
9,10-Epoxy-13-hydroxy-11-octadecenoate	543528016.52	384664685.18
9,10-Epoxy-18-hydroxy-octadecanoic acid	90681417.02	108894177.72
9,12,13-Todea	987505399.37	471409189.33
9,17-Octadecadiene-12,14-diyne-1,11,16-triol	12447782.24	12034360.36
9-(2,3-dihydroxypropoxy)-9-oxononanoic acid	59408341.72	48868488.76
9beta-Hydroxy-11beta,13-epoxyatripliciolide-8-O-methacrylate	2599631.54	4783201.04
9-methanesulfinylnonanoic acid	116665797.87	83827142.58
9-O-Methylglyceofuran	5912671.62	3465230.85
9-OxoOTrE	74971833.28	58516368.05
9(S)-HPODE	1172829447.00	365059900.20
9(S)-HpOTrE	38135396.34	27128817.09
Abealpha1-3Manalpha	181870783.32	96028729.88
Abelioside A	10187427.93	14202008.46
Ac-DL-Trp-OH	20322800.41	31442449.55
Acetyl-maltose	18832669.64	34240992.88
ACTG toxin B	21307896.95	71421363.25
Actofunicone	21180338.72	37517443.83
Acutissimalignan B	6255681.82	148391.77
Adenosine-5^-diphosphate Di(monocyclohexylammonium)salt	9994057.13	17729233.81
Adenosine 5^-monophosphate	1805940.83	2350921.75
Aduncin	887866.29	969005.09
Aflatoxin B1	2438615.34	4480347.47
Agar	29429110.14	22859731.14
Agarotetrol	4992049.90	8757409.62
Agehoustin B	7052900.46	7611350.39
AICAR	473326.52	614690.56
Alangilignoside C	238792191.93	28911348.95
Alangilignoside D	31552558.14	3689854.62
Albocycline M-1	81001731.81	92916931.12
Albocycline M-6	128540331.67	140528759.98
Alisol A 24-acetate	499645.40	8705880.66
Allantoin	169379165.58	192995678.83
Alloimperatorin	3943359.77	2842899.89
allo-Protolichesterinic acid	8588160.03	3281966.38
Allopurinol riboside	387764.55	320169.24
Allyltetramethoxybenzene	142099239.07	384111072.72
Aloe emodin	591125.51	2643368.83
alpha-1,5-L-Arabinobiose	70519433.10	215168015.03
alpha-Carboxy-delta-decalactone	17166027.98	28017891.09
alpha-Hydroxycycloheptanetridecanoic acid	36003367.63	47065152.79
alpha-Isopropylmalate	281988552.65	299600340.93
alpha-Maltose 1-phosphate	44575116.71	78534918.96
Alternapyrone B	19307597.41	22317176.51
Altiloxin A	9894167.46	9301360.69
AminoDHQ	69021255.92	31517532.22
Aminofructose 6-phosphate	2086152.42	1531154.44
Amoenin	9552279.57	14418897.53
Anabaseine	10070783.68	7886861.06
Anagyroidisoflavone B	258550.12	3217873.58
Ancistroquinone F	30625173.80	37723531.38
Andrograpanin	26481752.55	2854001.10
Angelicain	3216176.93	3872417.87
Angeloside	4787686.53	4196575.07
Anhydroophiobolin A	766493.76	1047954.24
Anisatin	49670285.42	64951350.84
Annomuricatin C	8821128.59	5826267.78
Annuionone B	34666825.30	45027490.58
Antcin K	36762357.29	72528536.92
Antibiotic BU 2867TA	474117154.42	428511112.55
Antibiotic FR 900261	1495759.27	1355724.37
Apigeniflavan 5-O-xyloside	37580274.46	55149637.27
Apigenin 7-xyloside	16642701.40	33799973.18
Apional	17946862.81	17920544.41
Aquaticoside B	6556855.93	4021596.87
Aralidioside	102220218.45	107189271.48
Arborside A	3980483.44	6843137.11
Arillanin G	10654109.79	6840943.45
Artemotil	70714036.19	64746886.44
ascaroside C3	8501355.72	10165815.36
Ascleposide B	24773474.27	24577610.43
Ascocorynin	24011294.88	32725295.84
Asparaginyl-Tryptophan	11492948.03	10440070.11
Aspergillic acid	18893764.76	709046.74
Aspergillide B	12132731.53	14072103.86
Asperulosidic acid	1167140.68	1042563.88
Asystasioside A	2979985.36	8468360.94
Atractyloside B	7028003.87	9479434.48
Aurantio-obtusin beta-D-glucoside	12173774.65	8360424.30
Auriculoside	17346212.21	17422168.95
Avenin	1637868.11	2347925.61
Avicennone G	17529908.19	20801458.77
Azaleatin 3-glucoside	30343652.00	214440.79
Baccatin	24443613.95	30394946.65
Bacilysocin	19740555.72	15787079.45
Barlerin	43524822.27	55883907.24
BCA 1	2139338.41	8063124.65
Becocalcidiol	11707733.97	8424737.93
Bengamide K	9149484.84	10688900.63
Benzofuran isophthalate	6143568.54	6313892.15
benzyl acuminose	6868217.37	6474928.08
Besarhanamide A	4941950.42	3505373.72
beta-D-Galp-(1->3)-beta-D-Galp6P-(1->4)-alpha-D-Manp	52064635.63	81709085.17
beta-D-Xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1-&g...	25843647.08	25922734.72
beta-Glycerophosphate	17579480.07	18849876.68
beta-Hydroxymyristic acid	47275177.96	34455176.14
beta-L-Fucose 1-phosphate	5547427.12	7008672.77
beta-(N(pros)-L-histidino)-L-tyrosine	4009311.28	4397612.48
beta-Phenylethanol beta-D-rutinoside	7383349.24	6185326.02
Betulalbuside A	12365067.87	10895752.38
Bilobalide	2318130.76	3919973.76
Bis(2-ethylhexyl) hydrogen phosphate	12804332.34	1672529.30
Bis(glycerophospho)-glycerol	2956350.20	3268247.33
Bispyribac	65358240.30	16541309.21
Blazeispirol V	5058190.26	2249079.82
Blepharizol A	8869452.15	8767520.28
Boonein	15575174.88	17254706.17
(+)-Bornyl diphosphate	2237981.03	3853781.17
Botcinic acid	11491591.07	18700149.14
Botryolide A	11628846.64	11532475.00
Botryolide C	19405685.98	26574649.02
Botryolide D	19585970.85	20529415.79
Brittonin B	1501929.36	2470147.34
Broussonetine W	57242376.07	14546870.82
Broussonetine X	21111223.43	7883499.87
Bruceine A	26703458.19	6219891.48
buddlenol E	10205764.63	3074118.79
Bufadienolide	9209994.28	11017533.18
Bungeiside D	51720692.80	38526339.91
Butylphthalide	3882228.32	5256631.14
Buxifoliadine-F	57355942.74	413336.86
Cadinane-4beta,5alpha,10beta-triol	13107306.89	13727965.45
Caledonixanthone E	26095908.02	43837321.45
Camalexin	920106.68	1880216.03
Cappariloside A	7777151.10	8895207.13
Carbocyclic Thromboxane A2	8324484.74	8439721.59
Carboxyphosphamide	300998626.58	366778928.65
Carolenalol	22886736.93	49193607.13
Castanospermine	3457574.74	2352905.85
Casuarine	35221608.01	24374396.44
Casuarinondiol	17389792.79	21437918.76
Catalpol	11880778.29	8476778.77
(-)-Catechin	14416482.87	621850.79
Caudatoside E	36700908.00	5034704.88
Celerioside E	23461406.41	43363419.61
Cepharadione B	7306822.07	8460900.57
Cetoniacytone B	35881511.36	26781320.78
Chaetoviridin H	7383659.50	2727410.48
Chakanoside I	10092443.47	18303869.84
Chemomicin A	2140615.54	4873694.96
Chlorovirensic acid	31835270.90	34146817.21
chlortetracycline	11317289.82	6752122.29
Cholesteryl sulfate	4078212.14	3083749.94
Chrysophanol	3080078.50	2548732.94
Cichorioside L	2207647.78	3063482.46
Cinncassiol E	131580839.15	145592638.18
Ciprostene	13005450.67	4401135.96
circumanthracene	15844618.18	14665046.67
cis-10-Pentadecenoic acid	22043551.45	18473668.80
cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene	11158678.58	12496420.07
cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate	2723910.83	3005443.69
cis-2-Carboxycyclohexyl-acetic acid	5425171.10	5433387.44
cis-7,10,13,16-Docosic acidtraenoic acid	13405224.71	198276.07
cis-9,10-Epoxystearic Acid	1681636303.83	1411292099.00
Citrifolinin B epimer b	603695525.97	874504291.32
Cl-Amidine	79012836.97	91996648.70
Clandonensine	9893971.37	10254267.43
Clauslactone N	129517817.05	117522973.28
Clematin	18659803.78	8015030.59
Clerodendrin H	1128219.98	1271131.50
Cleroindicin B	4028953.54	4114819.31
Cochinolide beta-glucopyranoside	15398818.69	21321454.59
Coixol	15452030.08	10402949.38
Comnostin D	89147713.26	124849636.67
Conyzatin	7174384.67	13160618.28
Corchoionoside B	389232524.10	267022060.67
Corchorifatty acid F	691687334.45	466725695.03
Coriandrone A	104577.76	134488.90
Coriandrone B	3311546.78	5417754.81
Costunolide	17821350.55	11852059.68
Coumestan	6139133.17	6639409.11
Coumestrol	28137587.97	26527938.40
CPA(16:0/0:0)	552351366.02	270968918.90
CPA(18:0/0:0)	11017086.21	9285541.92
CPA(18:1(11Z)/0:0)	66594222.76	38989886.39
CPA(18:2(9Z,12Z)/0:0)	816442431.75	330713471.85

10,16-Dihydroxy-hexadecanoate

96796673.61

94219435.06

10,20-Dihydroxyeicosanoic acid

2602842.86

1335579.71

10-Dehydrogardenoside

84982368.81

91994346.30

(10E,12E)-9,14-Dioxo-10,12-octadecadienoic acid

292814572.18

257593140.67

10-Hydroxy-8-nor-2-fenchanone glucoside

9373384.74

10093921.84

(+)-(10R)-7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochrom...

3934699.61

3214512.50

1,10-Bis(carboxymethylthio)decane

6855639.25

6425265.50

11^-Carboxy-alpha-chromanol

1244903.85

2903554.97

11-Dehydro-2,3-dinor-txb2

52919104.25

60248571.59

11-deoxy PGF2alpha

2226040.51

1509180.17

(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside

80586538.54

38083524.88

12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol

5966107.11

2931720.25

1,2,3,4-Tetrafluorobenzene

30730955.98

35004010.31

1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid

6816959.07

2115457.66

1,2,3-Trimethoxybenzene

22858092.79

41872859.03

12alpha-Methylpregna-4,9(11)-diene-3,20-dione

3139369.14

4377128.37

12beta,20-Dihydroxy-16beta-Acetoxy-17-scalaren-19,20-olide

32186781.01

5096605.34

1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol

995406.02

1816695.34

1,2-Bis-O-sinapoyl-beta-D-glucoside

57559986.15

15155294.21

1,2-Cyclohexanedione

18124555.18

21633772.57

1,2-dihydroxydibenzothiophene

8842393.72

3546645.15

1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene

3315752.98

5000287.49

12-epi-19-O-methyldeoxoscalarin

13816421.84

14321766.94

12-epi-19-O-methylscalarin

54977403.98

28553766.86

12-hydroxystearic acid

109483924.53

83845801.57

12-Methoxyajmaline

11791781.89

9762607.77

12-sulfooxy-9,10-dihydrojasmonic acid

5623946.50

11434636.92

12Z-Tridecenoic acid

18130996.03

18128901.35

13,14-dihydro-PGF2alpha

181911387.12

207908915.33

1-(3,4-Dimethoxyphenyl)-1,3-propanediol

1327292.53

1116381.86

1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

4526052.40

7241513.14

1,3,5,6-Tetrahydroxy-8-methylxanthone

426610.74

1049371.48

13-HOTrE

387107222.33

255248474.80

13-Hydroxydocosanoic acid

33655880.10

70180093.21

1-(3-Methylbutanoyl)-6-apiosylglucose

72244526.72

61032742.16

13-Methyltetradecanoic acid

167551761.30

250888639.68

13(S)-HODE

118027874.28

71337024.84

14,19-Dihydroaspidospermatine

7049846.16

5205787.82

14alpha-Hydroxyixocarpanolide

3552245.07

4025081.62

1,4-Bis(2-ethylhexyl) sulfosuccinate

5947818.76

3827545.26

1,4-Dihydroxy-2-naphthoic acid

1165737.00

1265857.10

1,4-Dioxane-2,5-diol

43296128.83

106928205.41

1-(4-Methoxyphenyl)-1-penten-3-one

4518137.55

5914976.75

15-Acetoxyrudmollin

1499144.24

2535150.96

1,5-Dibutyl methyl hydroxycitrate

11659227.00

3434549.53

15-HEDE

8416286.55

8466609.88

15-keto-2,3,4,5-tetranor-PGF2alpha

18965608.43

27591944.68

1,5-Naphthalenediamine

5806064.75

5291276.19

16:0 LYSO-PE

754449067.00

794741226.40

16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol

270056151.22

387550120.43

1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one

49004119.48

84267390.24

16-HDoHE

13098770.34

20456744.89

17beta-hydroxy-5beta-estran-3-one

14315656.10

10711222.40

19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester

1887412.12

233456.16

1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol

8368867.08

11743769.16

19-hydroxy-2,3-dinor-6-oxo-PGF1alpha

34767211.02

40271845.84

19-Hydroxycinnzeylanol 19-glucoside

1402770.33

1636700.24

1alphaH,5alphaH-Guaia-6-ene-4beta,10beta-diol

5798564.45

5794698.30

1beta-Hydroxyalantolactone

2967882.69

5233222.79

1-heptadecanoyl-glycero-3-phosphoethanolamine

50057854.34

45895396.18

1-heptadecanoyl-sn-glycero-3-phosphate

21106867.81

19519843.86

1H-Indole-3-acetamide

1590605.17

1051942.08

1-Hydroxy-2-(N-acetylcysteinyl)-3-butene

1279225.88

1103720.55

1-Iodoheptane

37137166.70

44156842.52

1-Iodopentane

44861616.92

56731871.47

1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol

55784161.10

79133675.95

1-Methoxy-3-myodesertene

4408593.64

2292698.88

1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate

5424644.39

3752372.86

1-Naphthalenesulfonyl chloride

22859964.87

24761685.73

1-NBD-decanoyl-2-decanoyl-sn-Glycerol

51202330.20

34134519.37

1-Octen-3-yl glucoside

39584560.65

26956578.74

1-O-Galloyl-beta-D-glucose

47063353.57

41505918.92

1-O-Vanilloyl-beta-D-glucose

33635461.84

29402669.44

1-Palmitoyl Lysophosphatidic Acid

246364426.88

156503308.23

1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol

528135398.02

476341507.83

1-Phenyl-2-decanoylamino-3-morpholino-1-propanol

8467933.61

1493487.13

(1R,2R)-1,2-dihydronaphthalene-1,2-diol

859066.17

844172.23

(1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucoside

56082473.11

25774546.09

(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid

15858854.39

14793691.55

1-(S)-Methylbutyl-beta-D-glucopyranoside

2981134.45

2142799.52

1-Stearoylglycerophosphoglycerol

48766293.97

22115215.52

1-Stearoylglycerophosphoserine

15113951.75

2812654.55

20-hydroxyicosanoic acid

20371908.46

19949335.14

20-hydroxy-PGF2a

34729098.59

30985248.29

(20s)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol

8116000.22

6837003.12

21-hydroxy-heneicosanoic acid

23784849.70

28889436.23

2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione

2492512.59

5254638.36

2,2^-(3-methylcyclohexane-1,1-diyl)diacetic acid

46948578.20

41865362.57

2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione

2197089.39

6268410.44

2,3,4,5,2^,3^,4^,6^-Octamethoxychalcone

8901143.79

4713916.89

2,3,4-Trihydroxybenzoic acid

5282838.31

5161971.27

2,3-Bis(3-indolylmethyl)indole

4449860.42

4940665.27

2,3-Butanediol apiosylglucoside

5576354.31

3320715.22

2,3-dicaproin

7626575.97

8629738.40

2,3-Dihydro-5H-oxazolo(3,2-a)thieno(3,2-d)pyrimidin-5-one

51131261.76

51260427.21

2,3-Dkpgf1alpha

89298446.93

95733026.91

23-Nordeoxycholic acid

1354303.83

891690.55

2,4,6-Trihydroxybenzaldehyde

20326075.69

26693452.49

2,4-Diaminobenzenesulfonic acid

38480222.73

43585380.84

2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one

4241526.74

4741843.38

2,4-Dimethoxyquinazoline

1949840.78

4697969.29

2,4-Di-tert-butylphenol

6837343.55

5986904.66

24-Epicastasterone

5999601.61

4588879.82

2-(4-Hydroxyphenyl)-1-nitroethane

5795459.20

4427564.61

2-(4-Methoxyphenyl)ethyl hydrogen sulfate

782860.88

958354.42

(24R)-Ergost-4-ene-3,6-dione

6431091.94

15207732.39

2,5-Dimethoxybenzoic acid

42058183.84

59948871.97

(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid

1754267.65

5132009.62

2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol...

73091494.76

40651129.65

2,6-Diamino-9-(2-hydroxyethoxymethyl)purine

16362347.02

14095228.00

2,6-Dihydroxybenzoic acid

297767168.25

156821747.35

2,6-Di-tert-butyl-4-nitrophenol

56635811.97

67375643.12

2alpha-Hydroxytirotundin

6028328.85

5053387.06

2-Amino-2-deoxy-D-gluconate

8729362.48

4873671.22

2-Amino-5-nitrophenol

3084364.88

2219871.08

2-Amino-5-oxohexanoate

21867819.07

18201465.58

2-Amino-5-phosphonopentanoic acid

1207995.04

2354395.47

2-C-methyl-D-erythritol-4-phosphate

344726538.80

239219730.02

2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benz...

44938909.54

32019516.23

2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide

4896200.50

5202451.21

2-Deoxy-D-glucopyranose 6-phosphate

2828408.55

7354045.01

2^-Deoxyguanosine

80932136.81

69786456.71

2-Deoxyribose

44431256.52

40977848.17

2-Deoxystreptamine 4-phosphate

810612.99

599533.07

2^-Deoxyuridine

24139823.02

19500088.56

2-Desoxy-4-epi-pulchellin

11782786.83

17687761.32

(2E)-21-hydroxyhenicos-2-enoic acid

13352508.07

20797414.42

2-epi-25-Methyldolichosterone

24036801.62

23649719.64

2-Formaminobenzoylacetate

120775675.13

23288023.10

2-Hexyl-3-phenyl-2-propenal

2081253.97

2451680.69

2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione

2812533.75

2907433.37

2-hydroxy-4-(methylthio)butanoate

141411766.32

215781394.58

2-Hydroxyhexadecanoic acid

654998851.63

486580285.80

2-Hydroxymyristic Acid

14954462.94

14290535.38

2-hydroxyoctanedioic Acid

46473211.26

28891795.42

2-hydroxypentadecanoic acid

28119485.73

31279188.13

2-Hydroxyphenanzine-1-Carboxylic acid

1303919.45

1363386.62

2-Hydroxyphytanic acid

125229008.67

128170773.57

2^-hydroxypyridoxol

36459763.96

33529610.30

2-Keto-D-Gluconic acid

36446586.30

60095505.34

{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfoni...

4246337.04

2927530.25

2-Methoxy-6-acetyl-7-methyljuglone

1190966.58

1957770.33

2-Methoxynaphthalene

1552074.23

1925492.14

2-Methoxyoctadecanoic acid

18934881.93

26154394.91

2-Methyl-4-propyl-1,3-oxathiane

7958412.02

6958494.62

2-n-Propyl-4-oxopentanoic acid

16071417.89

22998806.04

2-O-(alpha-D-Glucopyranosyl)glycerol

4298092.18

5944013.19

2-O-(alpha-D-Mannosyl)-D-glycerate

610571809.38

989134723.12

2-O-beta-D-Glucopyranosyl-L-ascorbic acid

44946265.90

69388269.71

2^-O-Methyluridine

4104301.02

5322006.77

2-Oxo-3-hydroxy-4-phosphobutanoic acid

3496813.85

1534808.94

2-Oxophytanate

48407450.77

32472807.38

2-Oxopimelate

39409778.61

37142046.74

2-palmitoyl-trehalose

16825918.30

22027138.25

2-Phenylethyl beta-D-glucopyranoside

21961319.25

35858562.93

2-Phenylethyl beta-primeveroside

1147271521.67

556277494.90

2-Propenyl 1-(propylsulfinyl)propyl disulfide

8279245.60

8151017.63

(2r,3r,4s,5r,6s)-2-(Hydroxymethyl)-6-Sulfanyl-Oxane-3,4,5-Tr...

22450481.04

28760957.22

(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol

6540238.09

6059919.45

3-(2-Carboxyethenyl)-cis,cis-muconate

26361661.21

45744094.13

3,3^,4,5,5^-Pentahydroxystilbene

924271.22

2243313.55

3-(3,4-Dihydroxyphenyl)-1-propanol 3^-glucoside

19307887.48

21261805.01

3,3^-Dichlorobenzidine

38738896.42

48868056.91

3,3^-Dimethylbisphenol A

669675.97

801463.24

3,3-Dimethylglutaric acid

47684165.78

79121575.99

3,4,5-Trimethoxybenzaldehyde

10468814.29

10233929.30

3,4,5-Trimethoxycinnamic acid

1918710.44

2396328.05

3,4-Bis(methoxycarbonyl)benzoic acid

60814799.61

76616433.44

3^,4^-Dihydrooxepino-6^-hydroxybutein

1637101.47

605511.40

3^,4^-Dihydroxyflavone

13561229.04

23511698.76

3,4-Dihydroxymandelaldehyde

3761521.53

7574290.12

3,4-Dimethyl-5-pentyl-2-furannonanoic acid

10556218.23

5335347.61

3,4-Dimethylthiophene

438781.60

405622.86

3-(4-Methyl-3-pentenyl)thiophene

15994312.98

14852331.26

3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-...

18624533.42

92872662.89

3,5-Dihydroxybenzoic acid

60938029.93

64098276.62

3,5-Dihydroxyergosta-7,22-dien-6-one

12987280.45

22449186.86

3-(5^-Methylthio)pentylmalic acid

1286511.68

1451300.22

3,6-dichlorocatechol

3838678.61

6093168.53

3,7-Dimethyl-5-octene-1,7-diol 1-glucoside

12569763.38

10174584.96

3alpha-Hydroxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydropari...

7765415.89

10189896.64

(3beta,24xi)-Cycloartane-3,24,25-triol

1015937.51

3132007.49

3beta,4beta,23-Trihydroxy-24-nor-olean-12-en-28-oic acid

81302196.04

53552513.95

3beta,5alpha,6beta-Cholestanetriol

18423908.41

62376967.41

3-beta-D-Galactosyl-sn-glycerol

56794765.69

37076783.64

(3-Chlorophenyl)hydrazonomalononitrile

40213288.48

68387294.73

3^-Deoxydryopteric acid

9492751.51

12667046.49

3-Deoxy-lyxo-heptulosaric acid

38531891.71

35238215.78

3-Deoxypentosone

3231357.32

3017200.08

(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol

25226729.25

31674312.86

3-Epiphlomurin

15065586.76

10051252.48

3-Ethoxy-3-oxopropanoic acid

9236719.00

7146296.84

3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate

11051339.56

17362237.14

3-Hydroxy-4-butanolide

2092516.32

2423360.49

3^-Hydroxyhexobarbital

3970713.45

1932955.61

3-hydroxylaurate

31188034.30

8622543.34

3-Hydroxyphenylaceitic acid sulfate

1708834.93

1594235.18

3-Hydroxyphenylacetate

17583990.48

23085774.10

3-Hydroxysebacic acid

80889874.24

84637618.22

3-Methoxy-4-Hydroxyphenylglycol sulfate

2983470.72

1436095.08

3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol

4256896.63

6514444.75

3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-gluco...

42244335.95

25559912.16

3-Methylcatechol 2-sulfate

595420.95

259359.33

3-Methylhistidine

1566270.53

1989007.10

3-Methyluridine

4916986.49

3800146.36

3-O-(alpha-L-rhamnopyranosyl)-D-ribitol

5151874.38

2808003.39

3-O-alpha-Mycarosylerythronolide B

96280592.58

107929992.51

3-O-methyl-alpha-L-rhamnose

18448011.14

30028436.07

3-O-Methylgallic acid

10821985.92

18423179.67

3-propylbenzene-1,2-diol

8973574.95

16381795.42

(3R)-3,11-dihydroxyundecanoic acid

11586198.88

21277460.38

(3R)-3,20-dihydroxyicosanoic acid

106564606.73

96928984.42

(3R)-3,22-dihydroxybehenic acid

3125653.78

3105896.77

(3R,5R)-3-(((3R,5R)-3,5-dihydroxy decanoyl)oxy)-5-hydroxydec...

144916262.32

259103135.97

(+)-(3R,8S)-Falcarindiol

374920.43

403009.40

(3R)-methyl-7,8-dimethoxy-6-(hydroxymethyl)dihydroisocoumari...

25689373.82

29540881.16

4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid

8218754.45

6890042.38

4,2^-Dihydroxy-3,4^,6^-trimethoxychalcone 4-glucoside

6130242.22

7758688.21

4-(4-Methylcyclohexyl)-4-oxobutanoic acid

14533952.35

17194557.21

4^,5,7-Trimethoxyflavonol

9205592.49

15655554.06

4-(5-Ethyl-thiophen-2-yl)-4-oxo-butyric acid

2394128.70

2946448.37

4,6-Dioxoheptanoic acid

24407513.60

27554715.79

4,6-O-Ethylidene-D-glucose

12237737.03

11973040.89

4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-dio...

6851144.27

6291682.16

4aalpha,7alpha,7aalpha-Nepetalactone

30856018.00

41888963.20

4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol

7535110.14

5090864.92

4-Aminohippuric acid

3498844.66

4218391.82

4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid

69263522.17

45006736.38

4-Chlorophenylacetic acid

2135727.10

43114.95

4-cholesten-7alpha,12alpha,26-triol-3-one

8789250.94

5447473.93

4^-Deoxykanokoside A

11932651.85

7347860.34

4-Fluoro-2-(trifluoromethyl)phenylacetic acid

21067970.74

20235115.31

4-Hydroxybenzoyl glucose

7630878.25

8969326.04

4-Hydroxyphenylacetylglutamic acid

21039745.92

9193235.87

4-Hydroxyphthalate

805269.49

1070479.76

4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde

8593456.76

8558398.90

4-Methoxyindoxyl sulfate

20841418.15

22719607.09

4-Methoxy-l-phenylalanine

110098271.40

141529024.43

4-Methyl-2-phenyl-2-pentenal

5298515.42

6476706.77

4-Methyldibenzothiophene

5557358.92

9588204.78

4-Methylumbelliferyl phosphate

121205556.07

155693289.22

4-nitrophenylphosphobutanoyl-glycine

16752597.89

1591312.10

4-O-(beta-L-Arabinofuranosyl)-(2S,4S)-4-hydroxyproline

1418637.22

1329379.03

4^-O-Galloylsucrose

4314194.24

6046294.38

4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xy...

51990798.39

27970107.37

4^-O-Methylkievitone

10432431.82

1056084.75

4-Pyridoxic acid

91406331.05

140426520.33

4-Thiouridine

4571732.11

5486396.11

4-(Trifluoromethyl)benzoic acid

22164510.99

26383683.75

(4Z,7Z)-deca-4,7-dien-1-yl hydrogen sulfate

2960137.82

637625.98

5-(10,13-Nonadecadienyl)-1,3-benzenediol

10712761.18

24363621.13

5-(2^-Formylethyl)-4,6-dihydroxypicolinate

24980372.02

33067554.17

5,4^-Dihidroxy-7,8,2^,3^-tetramethoxy flavone 5-glucoside

15117410.40

8119358.59

5,4^-Dihydroxy-6,7,8-trimethoxyflavanone

16606661.59

21326025.37

5,5^,6,6^-Tetrahydroxy-3,3^-biindolyl

1261113.62

5872258.41

5,5-Diphenylbarbituric acid

757725.12

1195554.11

5,6,3^-Trimethoxyflavone

4880309.96

15083109.64

5,6-Dihydro-5-azacytidine

2529458.52

3400203.89

5,6-Dihydroxyprostaglandin F1a

91859388.27

169912551.92

5,6-Dimethoxysterigmatocystin

2704779.68

1441705.44

5,7,3^-Trihydroxy-4^,5^-dimethoxy-6,8-di-C-methylflavanone

11580813.04

17512459.77

5,7,4^-Trihydroxyflavanone 4^-O-rutinoside

13708784.12

9702490.95

5,7-Dihydroxy-4-methylcoumarin

6689216.64

13398629.54

5-(8Z-Heptadecenyl)-1,3-benzenediol

22701258.21

48393161.00

5,9-epi-Penstemoside

23082129.44

8882520.81

5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol

3324408.13

1828558.48

5alpha-Pregnan-3alpha,20beta-diol disulfate

11864095.69

10627007.03

5beta-Cholestane-3alpha,7alpha,24-triol

17259719.91

18911287.29

5-Deoxyeustomoside

56205961.33

18287146.85

5-Deoxylamiol

19639760.28

12725677.19

5-epi-Valiolol 7-phosphate

11498897.48

8505722.24

5-Feruloylquinic acid

89307814.55

39751167.40

5-Hydroxy-6-methoxy-3^,4^-methylenedioxyfurano[2^^,3^^:7,8]f...

6618985.63

4330086.63

5^-Hydroxyasperentin

44669438.87

75390459.52

5-Hydroxycoumarin

928628.37

1130499.37

5-Hydroxyferulic acid

16071362.26

18132726.26

5-Hydroxymethylcytidine

3307815.39

3368629.91

5-HYDROXY TRYPTOPHOL BETA-D-GLUCURONIDE

14781947.43

13553784.62

5-Methylthio-D-ribose

5147481.25

1142999.46

5-methyluridine

21704656.78

19759772.98

5^-O-beta-D-glucosyl dihydroascorbigen

9660428.46

640842.22

5-Phenylvaleric acid

8836828.93

11296159.94

5-Sulfosalicylate

5698285.49

4442565.61

5Z-7-Oxozeaenol

7638215.00

11772594.91

(5Z,8Z)-tetradecadienoylcarnitine

8578476.14

2752591.13

6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2^-O-a...

34168087.78

21796067.32

6-Caffeoylsucrose

15865785.01

30822697.79

6-deoxy-6-sulfoglucono-1,5-lactone

2026937.52

3179190.09

6-Deoxylamioside

140447588.40

109740245.15

6-Desmethylsideroxylin

2503328.40

5543541.42

6-epiophiobolin I

3577838.47

2236833.11

6-Hydroxymelatonin

4367384.85

6058877.57

6-Hydroxymyricetin 6,3^,5^-trimethyl ether 3-glucoside

7045250.16

2288415.57

6-Ketomyristic acid

15154943.76

21571408.86

6-keto Testosterone Enanthate

1173582.28

508740.57

6-Methylcoumarin

10505001.33

10358980.17

6-n-Propyluracil

1273087.84

1888780.81

6^-O-alpha-D-glucopyranosylloganic acid

134997134.87

88168604.56

6^-O-Desmethylterphenyllin

2670921.70

5703538.07

6-O-Veratroylcatalpol

30423508.38

12417039.91

6-Thioinosinic acid

16214183.94

9375748.24

7,11,15-Trimethyl-3-methylene-1,2-hexadecanediol diacetate

27278786.70

30211551.68

7,3^,4^-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucosi...

8405859.86

6013579.14

7,8-Dihydroneopterin

2079899.89

2646239.16

7,8-Dimethoxy-6-hydroxycoumarin

30188070.43

44477140.33

7a,12a-Dihydroxy-5b-cholestan-3-one

16073219.44

34250093.83

7alpha-Hydroxy-3-oxo-4-cholestenoate

20509921.66

20835050.92

7-beta-D-Glucopyranosyloxybutylidenephthalide

2781281.90

4254917.90

7-Demethoxy-7-oxo-albocycline

10624760.26

13447547.65

7-Hydroxychromone

1407485.82

1289434.28

7-HYDROXY-DL-TRYPTOPHAN

12388468.48

12166887.15

(-)-7-Hydroxyspectaline

7064890.91

3350164.54

7-Propoxy-chromen-2-one

11049892.57

11404128.82

(7R*,8R*)-3-Methoxy-3^,4,7,9,9^-pentahydroxy-8,4^-oxyneolign...

8142922.62

15734754.50

(7S)-Hydroprene

5941682.08

3414783.89

(7Z,10Z)-hexadecadienoylcarnitine

2922292.90

3135469.94

8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one

27434560.80

26623754.50

8-Chloroinosine

302346.54

729526.91

8-Chlororugulovasine A

1703067.11

4398065.98

(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate

260657604.60

185766444.33

8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene

3374787.26

6535872.73

(+)-8-Hydroxy-alpha-conidendric acid methyl ester

48034613.63

18532861.05

8-Hydroxynevirapine glucuronide

31534322.44

13999055.16

9,10,18-Trihydroxyoctadecanoic acid

185144173.23

177012065.48

9,10-Dihydroxystearic acid

69835343.80

41880190.89

9,10-Epoxy-13-hydroxy-11-octadecenoate

543528016.52

384664685.18

9,10-Epoxy-18-hydroxy-octadecanoic acid

90681417.02

108894177.72

9,12,13-Todea

987505399.37

471409189.33

9,17-Octadecadiene-12,14-diyne-1,11,16-triol

12447782.24

12034360.36

9-(2,3-dihydroxypropoxy)-9-oxononanoic acid

59408341.72

48868488.76

9beta-Hydroxy-11beta,13-epoxyatripliciolide-8-O-methacrylate

2599631.54

4783201.04

9-methanesulfinylnonanoic acid

116665797.87

83827142.58

9-O-Methylglyceofuran

5912671.62

3465230.85

9-OxoOTrE

74971833.28

58516368.05

9(S)-HPODE

1172829447.00

365059900.20

9(S)-HpOTrE

38135396.34

27128817.09

Abealpha1-3Manalpha

181870783.32

96028729.88

Abelioside A

10187427.93

14202008.46

Ac-DL-Trp-OH

20322800.41

31442449.55

Acetyl-maltose

18832669.64

34240992.88

ACTG toxin B

21307896.95

71421363.25

Actofunicone

21180338.72

37517443.83

Acutissimalignan B

6255681.82

148391.77

Adenosine-5^-diphosphate Di(monocyclohexylammonium)salt

9994057.13

17729233.81

Adenosine 5^-monophosphate

1805940.83

2350921.75

Aduncin

887866.29

969005.09

Aflatoxin B1

2438615.34

4480347.47

Agar

29429110.14

22859731.14

Agarotetrol

4992049.90

8757409.62

Agehoustin B

7052900.46

7611350.39

AICAR

473326.52

614690.56

Alangilignoside C

238792191.93

28911348.95

Alangilignoside D

31552558.14

3689854.62

Albocycline M-1

81001731.81

92916931.12

Albocycline M-6

128540331.67

140528759.98

Alisol A 24-acetate

499645.40

8705880.66

Allantoin

169379165.58

192995678.83

Alloimperatorin

3943359.77

2842899.89

allo-Protolichesterinic acid

8588160.03

3281966.38

Allopurinol riboside

387764.55

320169.24

Allyltetramethoxybenzene

142099239.07

384111072.72

Aloe emodin

591125.51

2643368.83

alpha-1,5-L-Arabinobiose

70519433.10

215168015.03

alpha-Carboxy-delta-decalactone

17166027.98

28017891.09

alpha-Hydroxycycloheptanetridecanoic acid

36003367.63

47065152.79

alpha-Isopropylmalate

281988552.65

299600340.93

alpha-Maltose 1-phosphate

44575116.71

78534918.96

Alternapyrone B

19307597.41

22317176.51

Altiloxin A

9894167.46

9301360.69

AminoDHQ

69021255.92

31517532.22

Aminofructose 6-phosphate

2086152.42

1531154.44

Amoenin

9552279.57

14418897.53

Anabaseine

10070783.68

7886861.06

Anagyroidisoflavone B

258550.12

3217873.58

Ancistroquinone F

30625173.80

37723531.38

Andrograpanin

26481752.55

2854001.10

Angelicain

3216176.93

3872417.87

Angeloside

4787686.53

4196575.07

Anhydroophiobolin A

766493.76

1047954.24

Anisatin

49670285.42

64951350.84

Annomuricatin C

8821128.59

5826267.78

Annuionone B

34666825.30

45027490.58

Antcin K

36762357.29

72528536.92

Antibiotic BU 2867TA

474117154.42

428511112.55

Antibiotic FR 900261

1495759.27

1355724.37

Apigeniflavan 5-O-xyloside

37580274.46

55149637.27

Apigenin 7-xyloside

16642701.40

33799973.18

Apional

17946862.81

17920544.41

Aquaticoside B

6556855.93

4021596.87

Aralidioside

102220218.45

107189271.48

Arborside A

3980483.44

6843137.11

Arillanin G

10654109.79

6840943.45

Artemotil

70714036.19

64746886.44

ascaroside C3

8501355.72

10165815.36

Ascleposide B

24773474.27

24577610.43

Ascocorynin

24011294.88

32725295.84

Asparaginyl-Tryptophan

11492948.03

10440070.11

Aspergillic acid

18893764.76

709046.74

Aspergillide B

12132731.53

14072103.86

Asperulosidic acid

1167140.68

1042563.88

Asystasioside A

2979985.36

8468360.94

Atractyloside B

7028003.87

9479434.48

Aurantio-obtusin beta-D-glucoside

12173774.65

8360424.30

Auriculoside

17346212.21

17422168.95

Avenin

1637868.11

2347925.61

Avicennone G

17529908.19

20801458.77

Azaleatin 3-glucoside

30343652.00

214440.79

Baccatin

24443613.95

30394946.65

Bacilysocin

19740555.72

15787079.45

Barlerin

43524822.27

55883907.24

BCA 1

2139338.41

8063124.65

Becocalcidiol

11707733.97

8424737.93

Bengamide K

9149484.84

10688900.63

Benzofuran isophthalate

6143568.54

6313892.15

benzyl acuminose

6868217.37

6474928.08

Besarhanamide A

4941950.42

3505373.72

beta-D-Galp-(1->3)-beta-D-Galp6P-(1->4)-alpha-D-Manp

52064635.63

81709085.17

beta-D-Xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1-&g...

25843647.08

25922734.72

beta-Glycerophosphate

17579480.07

18849876.68

beta-Hydroxymyristic acid

47275177.96

34455176.14

beta-L-Fucose 1-phosphate

5547427.12

7008672.77

beta-(N(pros)-L-histidino)-L-tyrosine

4009311.28

4397612.48

beta-Phenylethanol beta-D-rutinoside

7383349.24

6185326.02

Betulalbuside A

12365067.87

10895752.38

Bilobalide

2318130.76

3919973.76

Bis(2-ethylhexyl) hydrogen phosphate

12804332.34

1672529.30

Bis(glycerophospho)-glycerol

2956350.20

3268247.33

Bispyribac

65358240.30

16541309.21

Blazeispirol V

5058190.26

2249079.82

Blepharizol A

8869452.15

8767520.28

Boonein

15575174.88

17254706.17

(+)-Bornyl diphosphate

2237981.03

3853781.17

Botcinic acid

11491591.07

18700149.14

Botryolide A

11628846.64

11532475.00

Botryolide C

19405685.98

26574649.02

Botryolide D

19585970.85

20529415.79

Brittonin B

1501929.36

2470147.34

Broussonetine W

57242376.07

14546870.82

Broussonetine X

21111223.43

7883499.87

Bruceine A

26703458.19

6219891.48

buddlenol E

10205764.63

3074118.79

Bufadienolide

9209994.28

11017533.18

Bungeiside D

51720692.80

38526339.91

Butylphthalide

3882228.32

5256631.14

Buxifoliadine-F

57355942.74

413336.86

Cadinane-4beta,5alpha,10beta-triol

13107306.89

13727965.45

Caledonixanthone E

26095908.02

43837321.45

Camalexin

920106.68

1880216.03

Cappariloside A

7777151.10

8895207.13

Carbocyclic Thromboxane A2

8324484.74

8439721.59

Carboxyphosphamide

300998626.58

366778928.65

Carolenalol

22886736.93

49193607.13

Castanospermine

3457574.74

2352905.85

Casuarine

35221608.01

24374396.44

Casuarinondiol

17389792.79

21437918.76

Catalpol

11880778.29

8476778.77

(-)-Catechin

14416482.87

621850.79

Caudatoside E

36700908.00

5034704.88

Celerioside E

23461406.41

43363419.61

Cepharadione B

7306822.07

8460900.57

Cetoniacytone B

35881511.36

26781320.78

Chaetoviridin H

7383659.50

2727410.48

Chakanoside I

10092443.47

18303869.84

Chemomicin A

2140615.54

4873694.96

Chlorovirensic acid

31835270.90

34146817.21

chlortetracycline

11317289.82

6752122.29

Cholesteryl sulfate

4078212.14

3083749.94

Chrysophanol

3080078.50

2548732.94

Cichorioside L

2207647.78

3063482.46

Cinncassiol E

131580839.15

145592638.18

Ciprostene

13005450.67

4401135.96

circumanthracene

15844618.18

14665046.67

cis-10-Pentadecenoic acid

22043551.45

18473668.80

cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene

11158678.58

12496420.07

cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate

2723910.83

3005443.69

cis-2-Carboxycyclohexyl-acetic acid

5425171.10

5433387.44

cis-7,10,13,16-Docosic acidtraenoic acid

13405224.71

198276.07

cis-9,10-Epoxystearic Acid

1681636303.83

1411292099.00

Citrifolinin B epimer b

603695525.97

874504291.32

Cl-Amidine

79012836.97

91996648.70

Clandonensine

9893971.37

10254267.43

Clauslactone N

129517817.05

117522973.28

Clematin

18659803.78

8015030.59

Clerodendrin H

1128219.98

1271131.50

Cleroindicin B

4028953.54

4114819.31

Cochinolide beta-glucopyranoside

15398818.69

21321454.59

Coixol

15452030.08

10402949.38

Comnostin D

89147713.26

124849636.67

Conyzatin

7174384.67

13160618.28

Corchoionoside B

389232524.10

267022060.67

Corchorifatty acid F

691687334.45

466725695.03

Coriandrone A

104577.76

134488.90

Coriandrone B

3311546.78

5417754.81

Costunolide

17821350.55

11852059.68

Coumestan

6139133.17

6639409.11

Coumestrol

28137587.97

26527938.40

CPA(16:0/0:0)

552351366.02

270968918.90

CPA(18:0/0:0)

11017086.21

9285541.92

CPA(18:1(11Z)/0:0)

66594222.76

38989886.39

CPA(18:2(9Z,12Z)/0:0)

816442431.75

330713471.85

Crenulatoside A

28240284.78

19739812.80

Crocusatin B

2044304.81

1926292.04

Crosatoside B

122326537.20

64569931.81

Cryptocaryol E

44412202.39

74467919.52

Curcumol

21429692.53

16312118.27

Cyanidin 3-(2G-glucosylrutinoside)

848676.14

414922.15

Cyclic ADP-ribose

12268908.83

18833926.31

Cycloparvifloralone

17292333.91

23608462.73

Cymorcin diglucoside

11525577.44

7244868.00

Cyrmenin A

11584178.81

490623.70

CYSTEIC ACID

1810920.21

1560147.80

Cysteinyl-Methionine

6599842.11

6045828.75

Cystothiazole E

2697801.92

3188475.05

D-4^-Phosphopantothenate

1890982.32

1512068.97

Daidzin

1593311.63

2876698.25

D-alpha-D-Hep-(1->6)-beta-D-Glc

23861083.16

27396402.70

Damascenone

27788808.64

35271241.26

Dankasterone A

15337593.48

13292658.39

Daphnetin

10447798.22

11781762.85

Daumone 4

17496852.75

13289214.97

Deacetyl asperuloside

460669532.67

387636657.12

Deacetylasperulosidic Acid

3596727.64

1663269.13

Decarbamoylsaxitoxin

14275838.79

2292002.37

(+/-)-Decursinol

37418467.49

1992647.72

Dehydro-1,8-cineole

26799771.85

62622433.84

Dehydro-4-methoxycyclobrassinin

99042846.02

118974391.62

Dehydrogaertneroside

33782909.48

35252114.25

delta4-Dafachronic acid

2501859.74

3312865.01

demethylkotanin

1909308.43

4099743.14

Dendroside D

14490730.89

9553358.33

Dendroside F

42055804.56

32160313.52

Dentatin A

56739616.31

39081333.46

Deoxyarbutin

2882633.42

3169367.00

Deoxyribose 1-phosphate

14006396.44

18461925.33

Deoxyshikonin

15266282.71

16286391.55

derrusnin

7038717.85

16373554.22

D-erythro-L-galacto-Nonulose

5668749.85

8128583.72

D-Erythronolactone

21074672.76

28678086.30

D-Erythrose 4-phosphate

8097653.45

8044309.39

Desethylchloroquine

85492383.10

67119996.14

Desmethylxanthohumol

5095330.88

3973304.11

Dethiobiotin

8659919.35

5503315.12

D-Fructose-6-phosphate

5738091.27

7998786.15

D-Gluconic Acid

1762274388.83

1204806078.00

D-Glucose 6-sulfate

4589441.82

3847674.98

D-glycero-L-galacto-Octulose

395942043.85

434647333.58

DGMG 18:3

84779982.47

40885763.63

DHAP(10:0)

26465322.75

51270586.81

Diazoxide

5062117.95

3790716.37

Dibefurin

4807770.81

9316414.74

Dibenzothiophene

15763555.71

7748603.59

Dicaprylyl carbonate

40598129.10

87854499.72

Dicranin

3294731.94

2432102.88

Dictamnoside I

19384077.45

28390253.24

Didesmethyl tocotrienol

9678759.72

11554730.34

Didymin

64695526.17

10761512.66

Diethyl 4-aminobenzylphosphonate

5755110.42

7784079.93

Diethylstilbestrol diphosphate

8382422.99

5899758.46

Diferuloyl glycerol

9284019.58

5771541.81

Dihydroartemisinic acid

9454564.35

6855553.96

Dihydrocitrinone

47231750.09

42939778.64

Dihydroconiferyl alcohol

37235175.20

52997245.98

Dihydrocoumarin

16650830.36

16072496.45

Dihydroferulic acid

38979723.66

47062314.38

Dihydrosyringin

11769530.07

10239701.65

Dihydroxyacetone phosphate

28816403.10

36325815.64

Dimethisterone

36180902.68

1742467.39

Di-O-methyldemethoxycurcumin

7099164.23

7407877.71

Diosalol

7489042.24

12009990.39

Diospyrososide

42341850.54

52328520.37

(-)-Dioxibrassinin

40768433.04

58958792.92

Dioxolamycin

6511725.60

6205551.84

Dipalmitoylphosphatidylglycerol

20217752.68

40015142.55

Di-phosphofructose

136342741.06

151059803.33

DL-DOPA

42246436.94

44956060.64

DL-Mannitol

238363842.03

470920847.25

Docosanedioate

5422638.26

10004934.01

Dodecylbenzenesulfonic acid

203745800.50

221393317.12

D-Pantothenic acid

1190497457.17

858051997.93

Dracunculifoside H

47500673.04

16941164.94

D(+)-Raffinose

11901078683.00

18591115586.67

D-Ribulose-5-phosphate

1462445.65

2312722.33

droxidopa

26634178.73

30908181.61

D-Sorbitol-6-phosphate

10472158.97

36212980.17

D-Tartaric acid

17969703.87

44809777.40

Dulxanthone G

8532635.05

7050910.44

D-Xylonic acid

1859908411.00

1721425130.50

(E)-3,4-Dimethoxycinnamic acid

13659456.60

10355523.73

(E)-3-(4-Methoxyphenyl)acrylic acid

23546151.26

18773105.02

Ebracteatoside C

14218747.04

14272937.72

Ebracteatoside D

8816371.84

15126371.85

Effuside II

66290899.22

76790794.86

Effusol

4970625.50

8463276.36

(-)-(E)-Guggulsterone

55514540.36

81767375.04

Eiseniaiodide B

23215896.89

34474131.91

Elephantorrhizol

385908.88

575062.27

Emodin

262638953.63

72384.79

ent-19-Acetoxy-14,15,16-trihydroxymanoyl oxide

8573132.05

1260945.36

EPIAFZELECHIN (2R,3R)(-)

6449517.78

7491213.41

epoxytwinol A

19218810.49

28620875.70

epsilon-L-norlysyl pyrraline

3030255.98

2150403.46

Ericifolin

6046175.65

6869916.64

Erythroxyloside A

31260849.44

30978057.96

Erythroxyloside B

199870887.00

49857449.88

Estriol

5538823.68

5497681.19

Estriol 3-sulfate

55086372.56

86367711.88

Ethanone, 1-(4-butylphenyl)-

23829925.18

23746511.89

Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]

17130541.68

23072120.24

(+/-)-Ethyl 3-mercapto-2-methylbutanoate

1930382.54

1700234.53

Ethyl 4-(acetylthio)butyrate

4096393.84

1602786.76

Ethyl ferulate

879877.49

808727.52

Ethyl glucuronide

98389690.88

139698046.28

Ethyl pivaloylacetate

124067947.53

124733297.13

Ethyl (S)-3-hydroxybutyrate glucoside

1039352722.83

1106835949.67

Ethyl vanillate

2061635.56

2314275.18

Eucomic acid

25880887.56

20768150.34

Euodionoside E

9323298.37

11875320.20

Eupalinolide K

165527557.18

54357386.95

Euplectin

631514.98

417085.75

Eurostoside

18880612.28

13210460.63

Eurystatin C

25523576.01

66999422.28

Euscapholide

4660208.16

3027222.83

FA 18:1+2O

946003063.15

329807792.85

FA 18:2+1O

1654127138.83

824008408.12

FA 18:2+2O

39173193.84

25689080.07

FA 18:3+2O

585238775.58

486247314.45

FA 18:4+1O

39019404.88

19798990.91

FAHFA 36:3

44886809.56

27491760.80

(-)-Falcarinol

6794430.94

408679.50

Falimint

2292289.03

1712550.08

Fenethazine

1306676.81

507922.21

Fenthion oxon

7672487.73

11057493.81

Ficiolide I

10519519.16

14248382.61

Ficiolide K

19505217.61

19908181.02

Ficipyrone A

16103806.84

15665366.69

Flabellinol

17434960.20

22455504.41

Flavoplatycoside

1061103.72

1916750.87

Flibanserin

4199153.83

5017911.79

Fluanisone

4324600.11

3466134.61

Fluorescamine

19243209.39

20476175.30

fluorobenzoylpropionic acid

4034699.15

5312459.36

Foetisulfide A

310893141.15

448940692.33

formycin b

30925771.94

40594252.47

Formyl-5-hydroxykynurenamine

12313857.91

9302740.82

Fortunolide B

11772255.81

8361212.86

Fosfructose

143702928.98

162674693.14

Fraxamoside

20401597.97

11995294.25

Fraxetin

6595941.60

26713707.01

Fraxiresinol 4^-O-beta-D-glucopyranoside

208916075.52

80184485.63

Fructo-oligosaccharide DP7 / GF6

80699567.59

111366076.60

Fructo-oligosaccharide DP9/GF8

15277340.18

22568694.74

Fruticoside B

38136188.21

43157093.97

Gabaculine

75190851.71

97507094.16

galactopinitol A

765632.89

1845698.25

(-)-Galbonolide A

5433722.17

19326998.56

Gallicynoic acid B

10268005.46

19559347.06

Gallicynoic acid F

277619378.70

216845800.82

gamma-Glu-Gly

3035743.69

3360562.71

gamma-Glutamyltyramine

4023224.88

1344833.05

Gardenoside

32611572.73

18306442.02

Gephyronic acid

62884492.95

32086192.85

Gibberellin A82

2220532.76

2309618.07

Gingerglycolipid B

1092149628.13

714754859.52

Gingerglycolipid C

37956203.06

26865732.84

Glaucocalyxin A

6230535.32

2817932.22

Glaucolide A

6414378.29

5802521.55

GlcAbeta1-6Galbeta

27271567.18

50715507.54

Glidobactin D

398214387.03

296154386.90

Glochidionionoside A

234574548.22

269567542.55

Glucaric acid

422946401.52

358263157.45

Glucose 3-hydroxybutyrate

70642004.84

59372092.77

(-)-Glyceollin I

3952254.90

2228577.79

Glycerol 1-(5-hydroxydodecanoate)

4623049.50

7963204.33

Glycerophosphoglycerol

306366891.93

422844975.55

Glycerophospho-N-Oleoyl Ethanolamine

398929784.73

285755436.52

Glycerophosphoserine

2652322.05

5036545.46

Glyceryl 5-hydroxydecanoate

2028946.28

2758936.45

GMP

12985697.36

18245953.38

Gnetifolin K

90279229.18

20372016.20

Goniothalamusin

17602775.45

15209115.53

Granilin

16674270.39

22104188.45

Grevilloside C

14433347.85

16667883.23

Grevilloside E

35918427.98

15341083.90

Griseolutein B

2580402.48

1488664.56

GroPIns

187590027.08

341435867.92

Guaiol

8076502.17

6722968.69

Guanosine

95119171.25

67171590.49

Guayulin B

1865716.16

1728254.94

Gymnemagenin

309482.35

956145.79

Halfordin

1996737.38

3710674.95

Harpagide

8516404.36

23697881.93

Hastatoside

598903380.63

466718646.15

HC Toxin

25876050.89

13499666.54

Hellebrigenol

849099200.02

7425424.83

Hemiariensin

3000914.82

1098726.11

Hendecanoic acid

15417792.12

17089069.92

Heptadecanal

3425239.44

2856048.00

Heptadecanoic acid

32629072.05

72400935.98

Hesperetin

42111758.48

65469074.22

Hexadeca-4,7,10,13-tetraenoic acid

12182308.20

14994392.96

Hexadecanal

39368021.52

28343933.66

Hexadecanoic acid

21925799.14

23647149.60

Hexafluoroisopropanol

484513.36

709431.38

Hexane-1,5-diol 1-O-beta-D-glucopyranoside

1392463.61

947355.85

Hexanethioic acid S-propyl ester

10703437.18

9101137.42

Hexosyl LPE 16:0

6247420.93

7305090.41

H-gamma-Glu-Gln-OH

3969849.92

3182194.39

H-Ile-Asn-OH

11196319.03

6259170.51

H-LEU-ILE-OH

7778939.70

3416711.81

Homobutein 4-glucoside

4101004.82

11628010.60

homo-gamma-Linolenic acid

27301792.63

5653967.25

Homoisocitrate

157094142.23

156006749.85

Homovanillic acid 4-glucuronide

4537857.60

2244135.15

Hongdoushan A

8625727.30

14187991.87

H-PHE-LEU-OH

3420300.20

2279773.96

Hpmpa

141266510.68

148121808.03

H-Pro-Asp-OH

5123445.71

3438348.11

Humilixanthin

7433431.91

2493911.24

Hydrastinine

48958259.99

59538802.57

Hydroxyacetone phosphate

144781003.43

181181964.41

(-)-Hydroxycitric acid

9481763.24

14612001.85

Hydroxygenkwanin

3792611.20

3749066.32

Hydroxyphenyllactic acid

38091662.44

59716657.74

Hydroxyprolyl-Threonine

436226.30

443559.49

Hymenoside M

194318293.43

157236550.63

hyperxanthone C

20105175.24

26014158.96

Hyrtios sesterterpene 1

3525187.09

3015464.35

Icariside D2

9246256.00

12502440.62

Icariside H1

10570552.11

11198164.23

Ilexgenin A

23669255.09

5782371.73

Ilicifolinoside A

4192229.60

4040866.57

Imirestat

1075294.05

2577158.58

Indoleacetaldehyde

7128756.51

7337765.57

inosine

31092299.66

19025779.05

Inosinic acid

528970.59

1575879.90

Inositol

469786683.82

386412461.58

Ipanguline D10

10231085.29

4029031.96

Isalexin

2392586.81

5799847.14

Isoferulic acid 3-sulfate

1475418.01

1207054.77

Isofraxidin

2539727.47

2026947.14

Isomalt

2873761.93

3007475.45

Isomaltoside

7504246.57

4848626.11

Isonicotinylglycine

2098634.93

1799709.24

Isoochracinic acid

1315057.56

2203004.20

Isoorientin 7,3^,4^-trimethyl ether

7418979.28

6990108.10

ISOPROPYL BETA-D-GLUCOPYRANOSIDE

3679199.67

3494260.89

Isopropyl-beta-D-thiogalactopyranoside

12849087.13

6925457.40

Isosyringalide 3^-alpha-L-rhamnopyranoside

8737338.79

2186807.40

Isotachioside

19607276.36

7929556.05

Isotanciloide

19269793.58

26017134.95

isovanillate

1594929.03

1887654.23

Itoside I

23369691.32

11306174.49

Itoside L

9356842.66

6078489.48

Ixocarpanolide

8174665.66

3260660.45

Ixoside

68902912.72

90361853.36

Jasmolactone B

4451501.99

5663202.00

Jioglutin C

20761271.39

18589272.35

Jioglutin D

7952325.62

9789354.05

Jioglutin E

8333889.01

16962612.25

Kadsuphilin C

7513484.22

3106357.54

Kadsuphilin D

6078320.54

3971325.75

Kalbretorine

2150650.04

2157831.49

Kalmiatin

5809911.94

3699364.74

Kaurenoic acid

323306121.60

16672675.06

Ketodeoxyoctonic acid

84329641.36

48479199.92

Kipukasin J

4546760.74

3818851.39

Kobusone

36831415.29

43430803.94

Kopsinoline

10299520.81

5652587.30

Kopsiyunnanine C1

22954302.67

19488826.88

Kukoamine A

82018039.32

61227075.30

Kunzeaphlogin A

40500029.25

10251719.06

Kunzeaphlogin F

5802192.84

4224834.18

Kynapcin 13

6222111.38

7976360.67

L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid

7379348.51

3815094.39

Lactobionic acid

73640647.50

99276811.78

Lamiide

3141954.55

1946182.52

Lamiol

12968977.20

9142796.75

Lanceolitol B2

91344866.00

80082739.70

Lanceolitol B4

57022993.41

29099985.04

L-Arginine

133628653.75

100738747.54

Lariciresinol

24971837.09

8383529.42

L-Ascorbic acid

14382946.71

13029412.33

Lauroyl peroxide

16392139.95

22306800.83

Lauryl sulfate

7676723650.33

2410434601.17

Lavandoside

70897331.05

40558230.14

Lawsone methyl ether

3775606.32

6241189.15

LC3-mHTT-IN-AN2

51550990.28

1754361.61

L-Cladinose

16585464.58

22960849.21

L-Dihydroorotic acid

951360.31

1262294.24

Lehualide I

563493.16

859530.68

Lemnaliadione

28519774.79

28421704.04

Lenalidomide

787353.45

581740.69

L-enantiomer

14108847.04

19415952.11

Leonuriside A

41478362.04

15955632.92

Lepidiumterpenyl ester

5541003.26

7172765.06

Leprapinic acid

4873395.74

5055056.44

Lethedoside B

12831724.87

3806183.23

Leu-Ala-Asp

5902455.80

2924793.30

Leu-Ala-Gly

10144167.89

4275108.79

Leu-Phe-Asn

7291650.15

4179432.25

Levodione

15742205.69

19526038.33

Levoglucosan

38483948.18

44778182.53

L-glycero-D-manno-Heptose

794675999.92

1386593573.00

L-Glycyl-L-Valine

4941067.50

2868174.70

L-Histidine

83683892.15

74943756.07

Licoagroside C

7853863.87

5705551.91

Ligantrol monoacetate

15310827.18

6221440.12

Limazepine B1

22143219.02

26059299.86

Limazepine C

9561547.90

13238504.18

Linderofruticoside A

3885374.38

3981151.22

Linoleoyl glycine

16850086.04

7451950.04

Linoleyl alcohol

35750349.41

37919351.31

Litsenolide C1

11782036.28

12214745.27

L-Leucyl-L-Valine

17770804.99

8513663.65

Loliolide beta-D-glucopyranoside

21296808.08

16327946.11

L-olivosyl-erythronolide B

12183426.37

8778484.95

L-Olivosyl-oleandolide

47552980.05

51728894.20

Lophodiol B

24997590.93

24530162.11

L-Tryptophan

1592062292.67

1232736243.67

L-tyrosyl-L-valine

14632818.71

4914109.80

Lucidenic acid G

12693635.60

7116921.02

Lucideric acid A

19581737.70

4105052.55

Lusitanicoside

36070494.53

19084123.21

Lyciumoside III

60917588.29

35847104.76

Lys-Asp-Tyr

16939146.18

18843463.66

lysine phosphoester

118856547.38

127268425.32

LysoPA(20:3(8Z,11Z,14Z)/0:0)

6240514.81

5766415.91

LysoPC(0:0/16:0)

9847964.22

10003234.26

LysoPE(0:0/14:0)

11078956.37

11233221.65

LysoPE(0:0/18:0)

2293711057.67

2135845896.50

LysoPE(0:0/20:0)

39157004.16

36279426.73

LysoPE(0:0/20:1(11Z))

263765104.87

298224241.08

LysoPE(0:0/20:3(5Z,8Z,11Z))

257744316.57

233983976.78

LysoPE(0:0/22:2(13Z,16Z))

6566361.70

5161667.51

LysoPE(15:0/0:0)

14403062.16

11789592.01

LysoPE(16:1(9Z)/0:0)

35887678.29

20357160.70

LysoPE(18:3(6Z,9Z,12Z)/0:0)

303401705.65

204403877.12

LysoPE(20:2(11Z,14Z)/0:0)

3687211303.00

3561281388.17

LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)

7581292.45

7989615.40

LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)

6827956.14

5579480.00

LysoPG(16:0/0:0)

296509361.90

208660118.33

LysoPG(18:1(9Z)/0:0)

246487414.92

194395185.42

LysoPG(18:2(9Z,12Z)/0:0)

612219701.88

394790469.92

lysophosphatidic acid

72081302.76

50820614.27

lysophosphatidylmyoinositol

25920332.37

4003206.20

LysoPI(18:1(9Z)/0:0)

92214978.93

96042219.30

LysoPI(18:2(9Z,12Z)/0:0)

630283344.12

592383957.10

LysoPI(20:4(5Z,8Z,11Z,14Z)/0:0)

7052833.37

1112823.37

LysoPS(16:0/0:0)

32608435.22

26702933.43

LysoPS(18:1(9Z)/0:0)

14926097.35

13044455.15

LysoPS(18:2(9Z,12Z)/0:0)

287102760.08

262059698.87

Macrosphelide J

30126917.35

19706195.48

Maculosin

32378126.80

24287570.24

Madangolide

4076628.67

1603204.19

Magnostellin B

114329805.88

27622614.22

Mallophenol A

7011943.50

6657733.09

Maltodextrin

1383763603.83

2436388447.50

Malyngamide R

3309081.20

7752313.15

Malyngamide W

8402749.32

5785402.35

mannosylglucosylglyceric acid

106749177.00

115769994.47

Margaroylglycine

9845561.45

17762982.77

Melophlin E

37624313.15

17942424.30

Melophlin P

6289520.15

1537490.68

Meropenem

11495791.67

17400340.90

Merrilliortholactone

8069546.55

10853676.12

Methiocarb-sulfoxide phenol

7947610.07

11267372.93

Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside

7770181.76

5034935.55

Methyl 3,4-dihydroxybenzoate

24465272.08

25605725.87

Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate

4587937.86

6865947.70

Methyl 3-O-methylgallate

37522491.72

15825943.45

Methyl 6-O-galloyl-beta-D-glucopyranoside

4707942.11

4222488.34

(-)-Methylenolactocin

34199290.76

64687872.91

Methylgrandifloroside

34463192.65

17291197.72

Methyl mycophenolate

684381236.60

245090451.15

Methylnissolin 3-O-glucoside

2176998.75

3039153.72

Methylophiopogonanone A

58682048.42

72603188.53

Methylspinazaline

610790.32

3429625.74

Methyl syringate

41463605.18

61555401.48

Methyl tumonoate A

10317947.90

13153542.49

Metomidate

2646606.40

3880918.07

Mevalonic acid

7853872.22

9454519.13

MGMG 18:2

1999895631.67

1257319581.17

MGMG 18:3

162984615.40

78158404.57

Midodrine

1315939.94

263512.87

Miraxanthin-III

4305910.47

4970701.44

Miraxanthin-V

1953684.71

3397388.01

Mitoxantrone

81292378.30

49223566.37

Moclobemide

2468877.44

4496174.68

Mollupentin 2^^-O-rhamnoside

5918507.22

3111058.24

Monocillin I

6386312.81

7499889.59

Monospermoside

1298262.70

4150008.41

Moracin O

20173475.34

31588055.24

Mosloflavanone

9230210.23

17520959.84

M-Terphenyl

288561.56

556440.09

Mucronine B

174690125.75

81339215.69

Mudanoside B

934653.66

686527.86

Multifidoside C

45295809.41

41082985.91

Muricarpone B

30404517.51

12363477.56

Muricatacin

26702246.64

25179362.30

Murrastifoline C

4343006.18

461802.81

Musanolone C

2184442.37

3188871.01

Mycophenolic acid

7598167.96

8438789.66

Mycosporine glutaminol

4784536.34

204451.15

Myobontioside A

11548646.46

8647105.59

Myriaporone 4

15770474.44

16471996.11

Myristelaidic acid

1821279.28

1603998.67

Myristoyl-Gly-OH

5773928.94

4872494.01

Mytilin A

9628964.61

9088390.77

N-[1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxytetracosanamide

24609194.18

30038247.57

N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole

14379826.95

3837892.22

N-(1-Deoxy-1-fructosyl)tyrosine

19001042.78

13898264.69

N1,N8-Bis(4-coumaroyl)spermidine

1645398.64

251220.60

N2,N2-Dimethylguanosine

11282568.08

12311032.91

N-(2R-Hydroxypentacosanoyl)-2S-amino-1,3S,4R-octadecanetriol

41842478.28

40184291.18

N-(2R-Hydroxytricosanoyl)-2S-amino-1,3S,4R-octadecanetriol

66689370.74

60283039.78

N6-Acetyllysine

5129259.53

5171133.96

(+)-N(6)-Hydroxyaphelandrine

50199341.72

13882853.48

Nabilone

6718917.56

7429565.02

N-Acetyl-alpha-D-glucosamine 1-phosphate

11630630.58

14058983.97

N-Acetylasparagine

1109265.71

953143.86

N-Acetyl-D-quinovosamine

123650649.77

107815588.40

N-acetylleucine

131109341.40

113193412.20

N-Acetyl-L-glutamic acid

16763626.87

11320420.87

N-Acetylnorloline

1727073.89

987321.25

N-acetylvaline

114516323.00

97794594.80

Napyradiomycin SR

7120005.96

1641084.70

N-Arachidonylglycine

4826303.83

1571511.86

Narcissin

145500219.02

22269112.62

Naringenin triacetate

3278348306.83

3743821460.50

N-benzoyl-L-aspartic acid

11438127.51

17631296.87

N-decanoylglycine

64271338.22

10439884.73

N-Desmethyl Clomipramine

4917577.51

5845529.61

Neobritannilactone A

64989894.18

81808712.07

(+)-Neomethynolide

80545962.69

35760135.79

(+)-Neothramycin B

11505686.17

8937233.34

Neovasipyridone B

3848067.93

2219604.91

N-Fructosyl gamma-glutamyl-S-methylcysteine

4469356.78

1148288.68

N-Gluconyl ethanolamine

2073147.87

2052583.03

N-glycoloyl-D-glucosamine

176697540.22

130001106.97

N-Glycosyl-L-asparagine

9289808.97

1155591.95

N-Hydroxy-L-tryptophan

8874048.84

9500570.23

N-Hydroxypipecolic acid

54521913.33

69271899.80

Nicotiflorin

131057339.58

62116016.07

Nicotinamide riboside

1891459.97

1335056.27

Nidurufin

7257749.47

10076839.24

Niduterpenoid B

999911.33

996550.29

N-Lactoyl-Phenylalanine

7266318.32

4526542.01

N-Lauroylglycine

8681817.33

10063846.32

N-Linoleoyl Glutamine

10647558.11

3665383.37

N-Linoleoyl Leucine

210991065.97

101351683.06

N-Linoleoyl Methionine

7284109.83

1809690.00

N-Linoleoyl Valine

73907403.47

29856384.70

N-Methyl-N,4-dinitrosoaniline

4155733.34

1992294.23

NMNH

3917200.23

8629180.48

N-Nonanoylglycine

34008761.25

7176020.78

Nobiletin

17638580.57

20881934.04

Norbisabolide

7638399.50

9142987.16

Norlichexanthone

1636211.84

2577858.32

N-Palmitoyl Alanine

13739265.38

6646588.52

N-Palmitoyl Asparagine

23537802.63

17502535.27

N-Palmitoyl phenylalanine

5139152.68

4717371.24

N-Palmitoyltaurine

3494067.01

273375.73

N-Palmitoyl Threonine

3610197.52

3234391.64

N-Succinimidyl 6-Maleimidohexanoate

4272805.05

5232009.03

N-Succinyl-L-glutamate 5-semialdehyde

12618850.37

15112516.30

N-Undecanoylglycine

110346444.80

64476564.44

N-Undecylbenzenesulfonic acid

883006.25

570430.74

octadecenedioate

104448620.88

63493047.29

Oglufanide

30097748.39

32793701.75

Oleoylglycerone phosphate

481562839.28

271997977.27

Oleyl sarcosine

8587612.10

5623580.49

Ononetin

17952786.58

24862074.82

Ophiopogonone A

2790334.75

747834.25

Orientin

41553727.28

2061939.46

Osmanthuside H

198881652.07

110729113.03

Osmanthuside I

17222413.71

3751649.30

Osmundalin

2807649.60

2736842.02

Oxaloglutarate

69050074.55

30298854.87

Oxoadipic acid

38985310.93

43959842.28

Oxyayanin B 6-glucoside

6965883.12

587953.98

Oxyisocyclointegrin

24002952.40

22048153.35

Oxyphyllenone A

133657330.17

178231628.25

PA(15:0cycw5/10:0(3-OH))

12305477.90

9568475.20

PA(16:0/18:1(12Z)-O(9S,10R))

8212393.83

9286936.95

PA(18:1(9Z)-O(12,13)/18:2(9Z,11Z))

12791087.08

7727263.18

PA(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))

25411860.58

36303121.73

PA(18:3(9Z,12Z,15Z)/0:0)

79035427.37

53818132.16

Paeciloquinone E

12800208.66

25973076.75

Paederosidic acid

8014522.40

1720799.72

Palmitoyl dopamine

7137464.17

3494403.28

Palmitoyl glucuronide

4887356.32

5339340.95

Palmitoylglycine

6748606.71

4580289.11

Pantetheine

16055326.26

22218215.95

pantetheine 4^-phosphate

12105871.33

14848913.62

Papyracon B

33070751.17

50129374.64

Paracetamol sulfate

3305061.29

1970899.92

Paullinic acid

31989427.56

44297764.48

Paulownioside

39386653.96

50223969.68

Paxisterol

128238157.90

125075346.07

PC(18:1(11Z)/P-16:0)

1961297.60

2479455.72

p-Coumaric acid sulfate

1951868.31

3656059.74

p-cresol glucuronide

27583680.19

24061656.69

PE(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))

611717609.87

1056851131.50

Penstemonoside

9112486.73

10388039.97

Pentadecanal

39105057.55

29915047.41

Pentamethoxyacetophenone

179996092.65

260838856.30

Perfluorobutanesulfonic acid

323451387.77

711352478.07

Perfluorobutyric acid

137256493.20

59407009.52

Perfluorodecanoic acid

8086084.31

10341473.62

Perfluoroheptanoic acid

31271619.17

39467106.55

Perfluorohexanoic acid

20903588.67

27875210.81

Perfluorononanoic acid

26073684.13

31664431.90

Perfluorooctanoic acid

24760823.04

29819080.96

Perfluoropentanoic acid

27075554.80

38960374.78

Pergolide

2958244.91

3207640.10

Pestalotheol D

3875139.44

5182169.01

Pfaffic acid

4935338.70

9763309.17

Phaffiaol

11873471.51

9492893.70

Phe-gly

6116067.03

4005929.34

Phellatin

23649519.20

8466761.85

Phellodenol F

39090516.42

20654856.91

Phellodensin C

24268818.53

23215307.76

Phenol A

57026321.13

152339553.20

Phenoxodiol

10115323.77

1530706.68

Phenylacetylaspartic acid

10298068.18

7801932.92

Phenylalanylalanine

2420538.94

1928751.38

Phenylalanylvaline

2680838.99

2110592.22

Phenylbenzimidazole sulfonic acid

1207831.96

1459606.29

Phenylmethanethiol

1462594.56

1953625.86

Phe-Trp-Ala

10295056.01

24895002.89

Phlorigidoside B

179735056.30

231877360.68

Phlorin

3844592.08

4082476.54

Phomolide A

110022205.45

139791928.58

Phomonitroester

6934303.50

5037578.71

Phorbasterone B

35958350.22

32579060.27

Phosphodimethylethanolamine

65899939.70

108628738.52

Phosphonoacetic acid

310802.19

267087.48

Phthalic acid mono-2-ethylhexyl ester

18315009.10

18502208.75

p-Hydroxyphenylacetylglycine

12545916.48

12896350.90

Phyllanthurinolactone

144012116.62

85334580.95

phytosphingosine 1-phosphate

3355428.06

4789532.86

Pinobanksin 3-acetate

36965216.67

680097.46

(+/-)-Pinocembrin

32145376.62

439839.09

Piperic acid

904001.45

813001.02

Piptocarphin B

1584030.74

1552269.98

Piscerisoflavone E

12301904.52

23768223.05

PISCIDIC ACID

10562518.21

14723687.26

Piscrocin E

12202513.03

21390477.36

Plastoquinol-1

14502115.92

10012427.67

Plumerubroside

10052379.34

4602822.67

(plusmn)12(13)-EpOME

30273679.91

13868066.36

(plusmn)-Taxifolin

7632704.48

13020043.58

Pochonin F

3522397.03

3952909.88

Poliothyrsin

4967142.09

956437.00

Polyrhacitide B

133066429.76

114745210.93

Polyribosylribitolphosphate

11527934.41

22342761.64

Pongaglabol

1805349.43

2238248.34

Porphobilinogen

17608938.34

11621524.48

porphyrin-5,10,15-triol

37124574.35

68651370.85

Porrigenin A

884723.92

1698938.15

Potassium

3963744.42

3376853.18

Pregnenolone-3,21-disulfate

35497081.20

38407536.81

Prephenic acid

11288937.15

16578008.46

Pristanoylglycine

27693006.19

17902340.75

Proacacipetalin

13000900.90

10472340.41

Prolylyphenylalanine

8215526.15

7270451.21

Promethazine sulfoxide

825293.58

352760.30

Propyl 1-(propylsulfinyl)propyl disulfide

5228402.52

5427247.91

Propyl 1-(propylthio)propyl disulfide

18222289.61

14166033.36

Protocatechualdehyde

172577257.15

278290347.90

Prunetin

11016480.82

1383721.14

PS(10:0/17:0cycw7c)

18356490.51

10530110.63

Pseudolaroside A

7832803.22

7893126.24

Pseudolaroside B

6566378.91

9569424.51

Psilocybin

16561180.67

19011085.96

Pterolinus D

4226140.50

7915703.17

p-Tolualdehyde

21865713.81

7745718.17

P-Toluenesulfonic acid

24570716.27

36730277.57

Puerarin 6^^-acetate

591808.64

4228044.96

Pyroglutamyl-Isoleucine

17584218.23

10789198.34

Pyrroloquinoline quinone

130672059.32

162354687.93

Quanolirone II

15809871.81

9043623.06

(+)-Quebrachidine

3614912.99

2010349.79

Quinoline-4-carboxylic acid

1727821.53

1428716.83

(R)-1-O-b-D-glucopyranosyl-1,3-octanediol

8861889.86

6029125.17

(R)-4-Phosphopantoate

6104299.20

8095051.80

Raspberry ketone

18496350.86

34323830.85

(+)-Rauflexine

4338798.03

1685208.25

Rehmapicroside

10247750.43

11187577.29

Rengyolone

10284666.13

13321157.29

Rengyoside B

27688570.59

18225831.71

(R)-(Homo)3-citrate

656724.08

468735.12

Rhyncoside A

181125036.95

71344779.80

Rhyncoside D

2545029.88

2162171.84

Rosarin

19202846.58

5029886.97

Rosiridoside B

20041673.02

13823313.60

Rosiridoside C

47591075.37

27207513.93

Rossicasin B

18178585.02

4791464.81

(R)-Pantothenic acid 4^-O-b-D-glucoside

279697388.42

208215320.35

Rutacultin

2591735.66

3405771.74

(S)-3-Octanol glucoside

5465119.04

6220474.02

Sachaloside VII

7500692.78

9619144.31

(S)-ACPA

6409377.08

5626484.86

Saframycin R

51019583.17

10412692.88

Saliniketal A

3578833.42

1236403.52

Sanguinolignan D

5916085.12

7303776.97

Sapidolide A

3307897.37

4324131.59

Sarcotin C

1852801.02

2477826.93

Sargachromanol G

11055281.26

2264005.10

sasanquin

29999648.47

9579355.03

Sclerophytin A

2922123.85

966528.27

Scopolin

7525313.43

6014330.91

Scrophuloside A1

239885381.00

150579906.17

Scroside D

18529142.99

10055019.77

Scutellarein

1183129.62

3150292.31

Secosubamolide A

7721573.96

10758492.99

Sedumoside A5

730897.61

2879031.17

Semiplenamide E

7158381.34

3716986.36

Semiplenamide F

17278598.31

12198939.65

Senkyunolide A

103254303.55

133946228.53

Serrulatoside

3650577.63

3335588.15

Sesartemin

353768045.03

258952009.45

Shanziside

213949759.67

155876256.62

Shikimic acid

23348013.50

69718130.51

Shogasulfonic acid D

6371010.47

1093870.67

Sibiricose A1

59401478.36

21772372.45

Sibiricose A3

9313378.03

9544076.85

Sibiricose A5

89332252.20

71275564.24

Sieboldin

4816111.23

2919767.67

Sinapic acid ethyl ester

9581535.83

15056062.54

Sinapyl alcohol

1024413.00

975879.39

S-inosyl-L-homocysteine

3543176.65

1745928.27

(S)-Laudanosine

3123059.27

1523512.00

sn-glycero-3-Phosphoethanolamine

118589759.63

143184445.00

Soraphen O

236892306.62

229939056.85

Sorbitan laurate

96597961.00

73991561.88

sorbitol 3-phosphate

4019958.28

7192618.20

Sphenostylin D

3681980.04

200316.92

Spirapril

6850168.21

9235493.39

Sporovexin B

7215416.26

11502078.25

Squarrosin

13097493.39

4227060.98

Stachybotrin C

15786750.68

14650447.07

Stachyose

1494603315.33

2187079605.83

Staphylionoside J

14992536.33

8651143.36

Staunoside C

48701072.58

20090339.84

Stenocereol

4959853.15

5801124.64

Steperoxide A

26975239.21

33685391.78

Steppogenin 4^-O-beta-D-glucoside

1457509.99

5496436.86

Sterculic acid

2793410.24

1748313.64

Steresterone B

4620360.61

1368544.79

Steviol

5220724.83

534599.32

Stilbostemin B 3^-beta-D-glucopyranoside

8332687.07

2228573.26

Stizolobate

3894143.75

5432282.23

Stolonic acid A

325263.29

1792313.04

Stolonic acid B

722447.36

1846496.01

Stoloniferone G

79410838.57

65293205.83

Striatisporin A

644375129.87

953779429.28

Strictoloside

3869057.96

3406607.92

Suberic acid

55260200.73

63167239.12

Sulcatone

3584927.35

3262778.34

Sulfocholic acid

9277364.92

503258.35

Sulfo jasmonate

10337367.38

33671257.65

Sulforaphane-cysteine-glycine

20003172.48

39464964.51

Sulfotyrosine

20278317.33

15597723.12

surugapyrrole B

1711240.57

2143927.53

Suspensolide E

16809898.09

17987522.49

Swertiapunimarin

76636776.14

18605461.90

Syringic acid beta-glucopyranosyl ester

116597041.73

94246435.91

Syringopicrogenin A

12248167.22

18402967.51

Taxifolin 7-O-beta-D-glucoside

1218112.54

451844.13

Taxiphyllin

4477385.69

3401852.77

TBHQ

28489145.22

54621036.69

Tectoionol A

12273913.56

10946762.47

Telocinobufagin

5876805.62

500897.03

Tensyuic acid C

12566076.66

16970650.91

Tensyuic acid F

14507334.31

15538666.47

Tephrowatsin A

407353.12

3202384.66

Terephthalic acid

92174157.47

96480531.36

Tetracenomycin B1

1096034.53

3326755.28

Tetracentronside B

3041781.73

195991.24

Tetradecanedioic acid

12827137.81

12792434.24

Tetradecanoic acid

64040907.44

39672484.10

Tetradecylsulfate

1987822772.50

618588857.32

Tetrahydrocannabinol

3968810.69

3420528.61

Tetrazepam

11081696.13

9225806.93

Teuhircoside

20029741.57

20823616.41

Thalifendine

11375857.03

3609695.17

Thiazostatin A

3026259.67

3055177.33

Thiolutin

195772864.10

229425493.50

Threonic acid

7039894.59

1411208.35

Tianshic acid methylester

24368368.68

18164136.42

Tichocarpol A

64438530.02

74366514.25

Topsentisterol C2

13759284.88

16448293.88

Torachrysone 8-O-beta-D-glucoside

1760155.83

5736512.97

Toralactone

6537963.56

13463270.16

Tortifolisine

58624933.28

34602714.93

trans-10-Nonadecenoic acid(C19-1T)

7930988.94

9689952.61

trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethano...

22302443.34

68205553.97

trans-Aconitic acid

342436644.68

286979490.83

trans-urocanate

15362394.31

18366820.38

trans-vaccenic acid

32157031.63

41032690.66

Traumatic Acid

59484568.10

47270330.33

Trehalose

13249205704.00

20104874034.33

Tricalysioside U

95770680.79

78483085.79

Tridecanedioic acid

35974603.11

22010261.14

Tridecanoic acid

6164031.28

9474374.73

Tridecanoylglycine

14922687.65

2613702.10

Triethylene glycol dimethacrylate

24335032.92

30147650.15

Trigilletimine

23947883.16

18155260.86

Trimethobenzamide

8980219.55

3709944.97

TRIPROPIONIN

21338863.74

28867603.42

Trivalvone

869778.29

4271621.35

Tropolone

17543388.59

34575695.25

Trp Glu Ile

14291488.30

9393028.77

tryptoquialanone

6131854.28

7686020.19

Tsugicoline E

12071631.04

20716437.41

Tuberonic acid glucoside

43971760.03

33926991.61

Turpinionoside E

26738156.35

19351653.03

TXB1

21136781.68

33209218.36

Tyr Leu

5040196.48

2793478.13

Tyrosol

95454807.19

83767514.92

Tyrosyl-Proline

9087840.68

8110899.11

Ucriol

27388302.42

986684.10

Ulmoside

28665596.34

31208229.28

Undecanedioic acid

121134415.50

49706565.62

Undecylenic acid

57567401.77

34743486.32

Uralenneoside

2047796.32

4397048.50

Urechitol B

50046236.29

58615824.47

Uric acid

14126948.84

13548462.36

Uridine

206537135.13

179241833.08

Uridine 5^-monophosphate

78905671.89

128781440.81

Ursodeoxycholic acid

2493084.73

5582351.04

(+)-Usararotenoid B

12954748.88

18727731.99

Validamine 7-phosphate

7456666.40

8565674.55

Validoxylamine A

12034611.26

25698679.30

Valinopine

92724267.22

38386928.87

(-)-Vallesamidine

7808592.64

5168240.46

Valylasparagine

1966731.07

1240581.01

Vanilpyruvic acid

10855344.35

12416034.01

Vemlidy

4217982.34

4296038.03

Venoxidine

2505999.68

260153.94

Verbenalin

13672235.05

3632968.79

verminoside

10555682.72

7983600.44

Versicolorin B

1055494.64

1405323.81

Viguilenin

6913618.02

11225185.85

Viridamine

2498049.98

3199577.48

Vitexin-2^^-O-rhamnoside

49863781.49

17716448.77

Wahlenoside A

43734915.72

14249606.63

Wilforic acid B

70277350.10

110267943.15

Withanolide B

97872014.37

25542507.45

(x)-1,2-Propanediol 1-O-b-D-glucopyranoside

3037473.04

4048320.45

Xanthine

34661065.15

21846119.01

Xanthosine

26296659.62

48542842.18

Xerophilusin VI

20920857.73

18251989.58

Yunngnin A

7397216.24

11844373.80

(Z)-2-Decenoic acid

11430497.47

7229160.23

(Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid

91078427.20

132260155.72

(Z)-3-Hexenyl beta-D-glucopyranoside

31456835.72

31367509.22

Zeanoside B

4870715.53

1269083.60

Zeatin-9-glucoside-O-glucoside

4326057.49

4546990.41

Zerumbone

62944124.24

79461933.34

Zhankuic Acid A Methyl Ester

1681626.17

425696.87

Zizybeoside II

3010090.00

1900499.52

Zizyvoside I

17555735.01

13725870.76

Zoamide C

2241100.86

901588.41

Data for ST004227

Factors:

F1	Sample source:wheat grains \| Cultivar:ZM22
F2	Sample source:wheat grains \| Cultivar:ZM7698