Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2
10-Deacetoxybarbilycopodin	166231666.50	93522730.14
10-Gingerol	83835343.85	28109055.65
10R,13aR-Tylophorine N-oxide	21423324.96	23157304.29
1,1,1,1-Kestohexaose	41791264.05	34112190.34
1-18:3-lysoPC	1397956117.33	1099629597.28
11-Beta-hydroxyandrostenedione	10710556.06	2804539.42
11-deoxy-PGE1	105713650.85	135770047.78
1,1-Dichloroacetone	3880708.46	3974843.42
11-Hydroxyrankinidine	2585170.26	559309.17
(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone	27815939.17	7946614.87
1,2,3-Trimethoxynaphthalene	127956493.00	27113088.40
1,2-Bis(diphenylphosphino)ethane	76903136.58	49051757.47
12-Dehydroporson	22649117.32	17370226.42
12-Demethylmultiorthoquinone	30403228.21	23936947.73
12-Deoxywithastramonolide	11868928.54	4461317.21
1,2-Diazenedicarboxamide	69886395.58	56104449.29
1,2-Dichloropropane	2945820.80	3714486.52
1,2-dihydroxyheptadec-16-en-4-yl acetate	13071454.35	7311477.60
1,2-dihydroxyheptadec-16-yn-4-yl acetate	61373248.55	63202936.40
12-Epinapelline	25122275.90	438717.46
1,2-Naphthoquinone	10563981.99	5901230.75
12-OPDA	215029824.67	163348580.77
12S-HETrE	237151107.05	338369829.68
13,14-dihydro Prostaglandin F1alpha	7813351.15	12737277.89
1,3,2-Dioxathiolane 2,2-dioxide	2407063.27	1687479.31
1,3,7-Trimethylisoguanine	2399435.94	2743273.90
1,3,8-Naphthalenertriol	8097457.45	8604952.71
13beta,29-Dihydroxymilbemycin A3	38797266.77	62504511.77
1-(3-Chlorophenyl)piperazine	3075422.85	7090459.90
13-cis-Retinol	97443754.83	80319631.75
1,3-DIMETHYLURIC ACID	2133733.65	5422132.08
13-OxoODE	2589450260.00	1841611895.00
1,4,8,11-Tetraoxacyclotetradecane	9128414.07	9544644.63
1,4-Cyclohexanedicarboxylic acid	762128.65	1028304.30
1,4-D-Gulonolactone	52128985.73	29626492.62
1,5-anhydroglucitol	36187827.84	41097528.86
1,6,10-Phytatriene-3,5,14,15-tetral	38110996.49	35427270.23
17a-Aza-D-homoandrost-5-en-3beta-ol	6605604.16	6920228.64
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate	31981524.22	29445858.53
17beta-Amino-5alpha-androstan-11beta-ol	114731846.12	128975385.00
1,8-Diazacyclotetradecane-2,9-dione	5044933.94	5396103.41
1,8-Dihydroxy-3-methylnaphthalene	9735224.50	10323150.60
19-Hydroxyconopharyngine	18282779.23	16278270.64
1-(9Z-Eicosenoyl)-sn-glycero-3-phosphocholine	82987477.32	70036284.53
1-Amino-2-methylanthraquinone	50192603.50	43479951.40
1-Anilino-9,10-dioxo-2-anthroic acid	40020869.43	30032171.88
1-beta-D-glucopyranosyl-L-tryptophan	24705278.52	7459228.09
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	15864260.99	16755354.29
1-Decanethiol	44584657.15	38245100.08
1-Dodecanesulfonic acid, 1-hydroxy-3-oxo-	12649526.85	1182842.67
1-Dodecyl-2-pyrrolidinone	10029281.38	11885984.27
1-dodecylglycerone 3-phosphate	14852932.22	9376305.71
1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane	167389894.20	202959195.87
1F-Fructofuranosylnystose	88553118.29	86032314.47
1h,8h-Pyrano[3,4-c]pyran-1,8-dione	1739393.42	1836435.94
1H-Benzotriazole-5-carboxylic acid	12095081.34	9688380.22
1-heneicosanoyl-glycero-3-phosphate	77467790.94	66085033.91
1-heptadecanoyl-sn-glycero-3-phosphocholine	89401520.58	73124448.37
1-heptadecylglycerone 3-phosphate	17726142.33	17581372.25
1-Hexadecanethiol	494383940.57	467748546.33
1-Hexadecylamine	5596093.21	8532127.58
1-Hexadecyl Lysophosphatidic Acid	67764891.07	106534257.62
1-Hydroxy-2,3,4,5-tetramethoxy-xanthone	24737688.32	20263824.14
1-Hydroxy-2-naphthaldehyde	33994364.65	15233604.09
1-Hydroxy-2-naphthoate	50119045.20	63507661.45
1-Hydroxybenzotriazole	2196573.49	1675897.88
1-Isopropyl citrate	349144.84	312461.61
1-Kestose	5682164220.00	5780317443.33
1-MeO-I3CH2NH2	60081595.77	32370790.68
1-Methoxyphenanthrene	412961.86	476497.95
1-Methyl-4-phenyl-2H-pyridine	27577079.96	31107064.53
1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid	35477970.39	27739213.93
1-Methylguanosine	11540841.37	7771461.94
1-Methylpseudouridine	21570897.93	18720763.16
1-Methylxanthine	4724255.73	2779420.38
1-Monomyristin	93475846.51	110685245.98
1-Monopalmitin	278122421.97	319544814.07
1-Nitrosonaphthalene	32508383.82	18074528.77
1-Nonanethiol	467424852.80	247478143.48
1-O-Oleyl LPA	11567236.47	6906142.61
1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine	27461057.40	20520225.97
1-pentadecanoyl-glycero-3-phosphate	25964035.84	36927987.05
1-Pentanone, 3-hydroxy-1,5-diphenyl-	34537170.41	35661651.66
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic...	4183479.54	2923862.71
(1S,2R)-O-Methylnyasicoside	33057601.50	7668584.22
20-Deoxyingenol	11960630.55	9451007.24
20-hydroxy-fusarin	529231766.98	513042032.13
(20R)-Protopanaxadiol	20526451.18	22386710.04
(20S)-Protopanaxatriol	7675455.86	14950344.39
(+/-)-2-(1-Methylpropyl)-4,6-dinitrophenol	1995769.86	7205899.72
2,2,2-Trifluoroethyl	2416326.80	1371443.64
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien	90126242.10	64016289.82
2,2-Dimethyl-6-(1-hydroxyethyl)chroman-4-one	23762059.35	19154658.78
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-fluoroaniline	4849918.43	4653888.57
2,3,4,5,2^,6^-Hexamethoxy-3^,4^-methylenedioxychalcone	22919609.57	18332540.84
2-(3,4-dimethoxyphenyl)ethanamine	409120.25	1080470.46
2^,3^-Dideoxyuridine	5419745.23	2947843.96
2,3-Dihydrofarnesol	7071355.30	4725948.75
2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone	39919396.48	43512998.10
2,3-Dimercapto-1-propanol tributyrate	50604494.95	31123467.28
2,3-DIMETHYL-1,4-HEXADIENE	7903268.12	9570095.59
(2,3-diphenylcyclopropyl)methyl phenyl sulfoxide	19809559.75	24027344.28
2,4,5-Trimethoxybenzoic acid	35807713.23	52695596.92
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-met...	31373940.95	16542560.14
2,4,6-Trihydroxybenzoic acid	14418074.33	12845653.16
2,4,6-Trithiaheptane	6803670.25	6883109.32
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile	35201346.20	15447464.97
2,4-Diamino-6,7-diisopropylpteridine	3500015.67	5022033.90
2,4-Dinitrophenylhydrazine	22886743.27	19096955.83
24-methylene-19-norcholesta-1,3,5(10)-trien-3-ol	7859687.66	6158680.02
2-(4-Morpholinyl)benzothiazole	8387587.05	9068647.09
2,5-Dimethyl-1,4-dithiane-2,5-diol	1633805.22	1401139.86
2,5-Furandicarboxylate	43155902.96	32701290.46
25R-Spirostan-4-ene-3,6,12-trione	5923986.16	4590357.10
2,6,6-Trimethyl-2-cyclohexene-1,4-dione	56859158.33	45583969.49
2,6,7-Trihydroxy-9-methylxanthen-3-one	3983800.41	6404298.62
2,6-Diaminoheptanedioic acid	249538109.90	164509953.80
2,6-dihydroxyanthraquinone	5150544.65	6091363.09
2,6-Dimethoxy-1,4-benzoquinone	114838246.03	98488765.58
2,6-Dimethylquinoline	148076600.05	167606752.13
2,6-Dithiopurine	15905590.47	17685419.34
2^-Acetylacteoside	195828318.05	35216934.81
2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate	16181176.41	36784939.65
2-amino-1,3,4,5-icosanetetrol	396606529.07	469778465.70
2-amino-1,3,4-tetradecanetriol	1782305.11	1277759.19
2-Amino-4-methoxyphenol	15709321.82	20471407.63
2-aminohexadecanoic acid	5415244.30	103760230.75
2-Aminooctanoic acid	66402691.55	36231796.86
2-Benzimidazolecarbamic acid	3682140.34	3011451.91
2-(Benzo[d][1,3]dioxol-5-yl)-1-methylquinolin-4(1H)-one	15924904.62	16985022.59
2-Butyl-3-phenyl-2-propen-1-al	146518923.37	65294000.68
2-Carboxybenzaldehyde	14654468.87	17354920.43
2^-Deoxyadenosine	209763258.77	650341190.52
2^-Deoxycytidine	705690.94	646113.81
2^-Deoxymugineic acid	37046753.09	87245663.92
2^-DEOXYURIDINE 5^-MONO-PHOS-PHATE	741101.97	2279440.29
2-Dodecanone	490682.17	437431.26
(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosy...	1870878.21	2642650.28
(2E)-2-dodecen-1-ol	367174.44	323311.84
(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide	9544992.06	23893092.98
(2E,4E)-1-(Pyrrolidin-1-yl)dodeca-2,4-dien-1-one	11684198.46	7618304.40
2E,4Z-Octadienal	166893976.30	189735727.80
(2E)-hexenedioylcarnitine	1268167.38	2434058.32
2-Fluoroethcathinone	1734321.80	809772.87
2-Hexynyl-5^-N-ethylcarboxamidoadenosine	73295148.51	87086110.35
2^-Hydroxy-3,4,4^,6^-tetramethoxychalcone	8662723.42	9203124.17
2-Hydroxy-3-carboxybenzalpyruvate	9982398.08	29187979.61
2-hydroxy-3-methylvalerate	32005643.10	33280351.87
2-Hydroxy-4-methoxybenzaldehyde	55786651.05	59581615.55
2-Hydroxy-4-trifluoromethyl benzoic acid	372344.44	2561224.17
2-Hydroxycinnamic acid	54946430.15	64887888.03
2^-Hydroxydaidzein	10387582.13	1515823.97
2-Hydroxymethyltetrahydropyran	37869983.29	39060850.34
2-hydroxyoctanoic acid	88223910.36	144483821.30
2-Isobutyl-3-methoxypyrazine	2642366.52	855169.01
2-Linoleoyl Glycerol	1162559163.28	290191070.57
2-linoleoyllysophosphatidylcholine	19469656391.00	15414038460.67
2-Methoxycinnamic acid	10037928.79	13068959.78
2-METHOXYRESORCINOL	139934023.28	171184112.95
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate	21577473.10	9869541.37
2-Methylcitric Acid	989353.51	547905.40
2-Methylcyclopentane-1,3-dione	70590577.39	88923104.79
2-Methyleneglutarate	611805644.85	706038190.32
2-Naphthaldehyde	11339932.13	4277301.53
2-Naphthalenol	7251859.99	9187496.61
(2-Naphthyl)methanol	44548031.81	23401389.18
2-Oleoyl-sn-glycero-3-phosphocholine	3470085215.33	3014687273.50
2^-O-Methyladenosine	63735305.47	44511440.09
2^-O-Methylguanosine	19688529.14	9745189.68
2-palmitoleoyl-glycerol	15717934.88	3741982.51
2-Palmitoylglycerol	25160722939.00	27563605020.83
2-Phenylacetamide	381166386.78	341038035.32
2-Phenylbutanoic acid	2501701.53	5593832.11
2-Phenylpropionate	39578198.68	40869835.37
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide	221345.24	272465.55
2-Quinoxalinol, 3-methyl-, 2-formate	45554047.86	28753856.95
(2R)-2-(2-Hydroxyhydrazinyl)-3-sulfanylidenepropanoic acid	7045640.51	7039534.28
(2R-trans)-2-Butyl-5-heptyl-pyrrolidine	1742031.89	913234.09
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-o...	156446853.63	179976789.53
(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropy...	42688010.70	98963895.48
(2S)-2-Amino-3-[(2-chloroacetyl)amino]propanoic acid	2993977.88	2643170.91
(2S,2^S)-Pyrosaccharopine	7145712.16	7338391.27
(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate	114080658.70	70623896.95
2-Sulfamoylacetic Acid	2501893.45	843587.10
3-(1H-Indol-3-yl)quinoline	3412502.31	3697971.94
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid	1307367.94	1637619.78
3-(2-Hydroxyphenyl)propanoic acid	222647081.10	170498191.42
(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone	3227098.50	3911905.47
3-[(2-Oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoate	37572753.77	25588547.86
3,3^,4^,5,6,7,8-heptamethoxyflavone	27748536.99	24673277.38
3-(3,4,5-Trimethoxyphenyl)propanoic acid	16268655.40	16101959.48
3-(3,4-Dihydroxyphenyl)-1-propanol	10039500.48	9000896.56
3-(3-Amino-3-carboxypropyl)uridine	14392897.38	6600269.27
3-(3-Hydroxyphenyl)propionic acid	109421648.50	81947379.43
3-(3-Methoxyphenyl)propionic acid	6352959.75	3532159.82
3-[4-(4-Chlorophenyl)cyclohexyl]naphthalene-1,2,4-trione	105609480.28	128866267.56
3^,4^,5^,5,7-Pentamethoxyflavone	115583558.52	73859837.51
(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate	7162276.57	2848342.69
3,4-Dicaffeoyl-1,5-quinolactone	16838346.21	10256578.88
3,4-Dihydroxybenzeneacetic acid	282491241.27	291401232.30
3,4-Dihydroxyhydrocinnamic acid	95826964.78	122370592.12
3,4-Dihydroxymandelic acid	8691603.93	8824143.64
3,4-Dihydroxyphenylethyleneglycol	168471715.78	167776194.68
3,4-Dimethoxyphenylacetic acid	53361530.69	80788483.49
3,4-Dimethyl-1,2-cyclopentanedione	22949753.91	21478068.00
3-(4-Hydroxyphenyl)-1-propanol	715802355.85	634916826.37
3-(4-Hydroxyphenyl)propionic acid	118386037.70	97895094.81
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic a...	112982283.65	173671115.03
3,4-Methylenedioxymandelic acid	14985387.48	23775386.93
3,5,3^-Trihydroxy-4^-methoxy-6,7-methylenedioxyflavone	4073804.04	3515090.28
3,5,7,4^-Tetrahydroxy-3^-methoxy-8-prenylflavanone	127756999.42	65325291.15
3,5-dihydroxydecanoic acid	5881583.11	5698346.25
3,5-Dihydroxyphenylglyoxylate	742265.34	532839.35
3^,5-Dimethoxy-4-hydroxy-4^-(3,3-dimethylallyl) stilbene	21227044.94	25375261.79
3,5-Dimethyl-1,2-cyclopentanedione	52543073.99	50546166.72
3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one	16249462.28	15873039.32
3,6-Dihydroxydecanoylcarnitine	221649938.90	258162164.90
3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside	22330587.75	14932073.10
3,7-Dimethylguanine	19610743.32	10549822.45
3,7-Epoxycaryophyllan-6-Ol	49108588.66	49400132.41
3,8-Dimethoxy-5,7-dihydroxy-3^,4^-methylenedioxyflavone	14567127.96	14826035.07
3^-Acetylindicine	12277228.30	5912211.98
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane	5120021.52	18249172.80
3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide	21873753.74	20287150.35
3alpha-Hydroxyoreadone	5580737.96	3714271.31
3-Aminoacetophenon	348602359.45	343562347.05
3-Aminosalicylic acid	7872172.61	8611942.10
3beta,4alpha,13alpha-Trihydroxylupanine	6056985.42	951708.15
3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene	108188518.61	23043274.27
3beta-Fluoro-5beta-pregnan-20-one	510392032.12	579132612.73
3beta-Hydroxysolanascone beta-sophoroside	3822662.08	5318819.64
3b-hydroxy-5-cholenoic acid	11084844.00	591669.40
3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol	2444032.70	2507185.15
3-Deamino-3-hydroxykanamycin X	36987062.50	27366275.48
3-Deoxyestradiol	2707678.28	2737705.74
3-Dimethylallyl-4-hydroxymandelic acid	36609009.54	39065442.96
3-Fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]be...	4434074.87	7750323.86
3-(hexadecyloxy)-2-oxopropyl dihydrogen phosphate	38069717.10	35112582.37
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid	38021397.52	46950484.74
3-hydroxy-3-methylglutarate	183675717.53	218653881.78
3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl	3494756.78	3474906.52
3-hydroxydecanoylcarnitine	5720816.15	3823135.77
3-Hydroxyhept-4-enoylcarnitine	2729123.86	732856.39
3-Hydroxypicolinic acid	717019.37	892325.69
3^-Hydroxypuerarin	47289270.54	6137932.17
3-Ketosphingosine	178420789.57	183007450.02
3-Methoxyanthranilate	9976992.17	11317871.94
3-Methoxyflavone	2001518.60	1946401.34
3-Methyladenine	32406090.44	21379331.66
3-Methylguanine	23263661.39	10552608.22
3-Methylindole	870969328.80	531163373.88
3-Methyl-(triazen-1-yl)imidazole-4-carboxamide	4899323.36	7026869.85
3-O-Angeloylsenecioodontol	5918253.42	6398054.97
3^-O-beta-Glucopyranosyl plumbagic acid methyl ester	28624904.98	9481561.28
3-(Octyloxy)propan-1-amine	937281091.92	9822799.58
3-Oxo-4,6-choladien-24-oic acid	97715889.60	21919050.27
3-Oxo-7-hydroxychol-4-enoic acid	6303716.32	5410092.82
3-Oxotetradecanoic acid	381841.32	522942.94
3-Phenyl-4-pentenal	41648840.23	43534341.35
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3...	8691571.26	8649867.78
(3R)-3,21-dihydroxyhenicosanoic acid	418105746.38	818023071.17
(3R)-Vestitol 7-O-glucoside	50086176.42	38728552.80
(3S,5S)-Carbapenam-3-carboxylic acid	24633273.30	19879405.86
3-Sulfinylpyruvic acid	3282958.69	3670896.24
3-Tigloyloxynortropane	7927879.47	7831582.48
3-Trehalosamine	132748862.98	134358089.00
4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol	2418947.28	2566446.93
4-(3-AMINO-2-HYDROXYPROPOXY)PHENYLACETAMIDE	8188958.79	1969409.72
4-(3-Indolyl)butane-1,2,3-triol	2952510.63	3347657.53
4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoyl Chloride	6990441.45	5118113.54
4,4^-Diapophytofluene	25959153.20	26719747.57
4,4-Difluoropregn-5-ene-3,20-dione	143003298.52	85481369.09
4,4^-Dihydroxybenzophenone	11960340.83	6283366.94
4,4^-Methylenebis(2,6-di-tert-butylphenol)	105693373.26	131395818.82
4^,5,6-Trimethylscutellarein 7-glucoside	9772664.04	8720467.12
4^,5,7-Trimethoxyflavone	13194578.11	12676932.00
4,5-Dihydromelampodin B	4064827.52	2453448.15
4,5-Dimethoxy-1,2-benzenedicarboxylic acid	1011066.83	932588.10
4,7-Dimethoxy-1-vinyl-beta-carboline	10091307.35	7189597.34
4-Allylcatechol	26491759.81	23849990.12
4beta-Hydroxycholesterol	62525862.73	85875026.01
4-Carboxypyrazole	340797310.03	204131634.42
4-Chloro-1,3-dioxolan-2-one	1808680.36	2175077.33
4-Chlorobenzophenone	3408724.35	3347167.49
4-Chlorobenzotrifluoride	13874984.59	14126319.74
4-Coumaroyl-2-hydroxyputrescine	53310723.88	87134912.59
4^-Demethylpodophyllotoxin	36008828.91	35770633.01
4-Deoxypyridoxine	20567245.92	24259183.73
4-(Diethylamino)benzaldehyde	81946797.77	86210761.53
4-(Dimethylamino)butyl carbamimidothioate	154705053.78	104255897.49
4-(Dimethylamino)phenylthiocyanate	19515948.30	20520950.15
4-Ethylphenol	68851073.17	68806476.93
4-Feruloylquinic acid	37446365.85	23969992.32
4-(Fluoromethyl)benzoic Acid	3311602.80	1434833.25
4-Guanidinobutanal	74004883.56	46504725.80
4-guanidinobutanoate	3734655412.33	2436609057.33
4-HADNT O-glucoside	3339217.06	1744248.18
4-Hydroxy-3,5,5-trimethylcyclohex-2-enone	47087536.60	53767547.04
4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphate	1428446.85	1461887.99
4-Hydroxy-6-methyl-2-pyrone	963752599.55	1349705478.33
4-Hydroxy-6-nonadecanone	55913823.74	113865465.18
4-Hydroxyacetophenone	175113026.32	78279382.78
4^-Hydroxychalcone	242381.56	379268.13
4-Hydroxycinnamic acid	90510563.93	85503489.13
4-Hydroxyestrone	30593704.43	3158130.93
4-Hydroxyhippuric acid	16788699.36	4292942.76
4-Hydroxyphenacyl alcohol	219513256.67	274140813.08
4-Hydroxyphenylpyruvic acid	234794431.58	206673642.45
4-Hydroxyproline	51561215.93	30362028.28
4-Hydroxyvoriconazole	24994484.45	22061551.60
4-Isopropyl-2-methylphenol	45936220.51	42823991.76
4-Methoxy-2-methyl-N-phenylaniline	18599112.61	1022153.03
4-methoxy DMT	27021710.35	42575719.95
4^-Methoxypuerarin	2076567.80	3657373.39
4-Methyl-3-oxoadipate	8598038.35	7214858.76
4^-Methylacetophenone	92667541.48	56614865.60
4-Methyldaphnetin	24833490.60	16675284.55
4-methylthiobutyldesulfoglucosinolate	3691123.92	3611592.81
4-Methylumbelliferyl beta-D-glucuronide	65441440.57	96966106.14
4-Methylumbelliferyl-beta-D-xylopyranoside	99841882.76	30952737.56
4-Nitrophenol	29220004.39	19601321.11
4-Oxopentanoylcarnitine	5211435.25	3417521.94
4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione	9479584.94	8220558.43
4-tert-Butylphenol	22845870.96	27015680.04
5,10-Methylene-THF	3169753.20	7931253.18
5-(10-Nonadecenyl)-1,3-benzenediol	63593349.96	129464292.33
5-(1-oxopropan-2-yl)isolongifol-5-ene	41198172.28	27834613.81
5,3^,5^-Trihydroxy-3,6,7,8,4^-pentamethoxyflavone	24946459.07	12052283.73
5-(4,5-Dihydroxypentyl)uracil	2297380.25	1276479.53
5-(4-HYDROXYPHENYL)-5-PHENYLHYDANTOIN	3242856.31	4396832.17
5,6-Dihydrouridine	5443882.16	2562542.17
5-Acetoxyisogoniothalamin oxide	42830473.24	49436789.03
5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate	25558721.11	571100.57
5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-...	15107877.04	15420083.15
5alpha-Androstan-2-en-17beta-ol	47062348.83	60356041.74
5-borylporphine	31120616.41	40661360.27
5-[(Diaminomethylidene)amino]-2-(sulfanylmethyl)pentanethioi...	18370711.96	16632158.18
(5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-o...	18761513.69	42808009.50
5-Ethynyl-5^-(1-propynyl)-2,2^-bithiophene	7840657.21	1177898.36
5-Formylbenzofuran	24548245.31	27359784.63
5-(Heptadec-12-enyl)resorcinol	26528392.99	32488031.14
5-Hydroxy-8-methoxycalamenene	149462837.55	147689201.37
5-Hydroxyflunixin	9622039.58	16935688.77
5-hydroxyfuran-2-carboxylic Acid	193161659.72	143070954.68
5-Hydroxyindoleacetylglycine	334690.14	384096.02
5-Hydroxyisourate	35005228.26	36940254.50
5-Hydroxymethylfurfuryl alcohol	211047598.73	207741092.03
5-Hydroxytryptophan	55095686.61	30156073.69
5-Hydroxytryptophol	99604689.06	42168272.10
5-(Methoxycarbonyl)thiophene-2-carboxylic acid	4772979.20	5083657.87
5-Methoxymaculine	8310736.02	9046520.31
5-Methyl-2^-deoxycytidine	1686450.21	266701.67
5-Methylangelicin	24695695.45	11003468.66
5-Methylcoumarin	92321635.50	45915412.10
5^-Methylthioadenosine	202945231.00	78676039.36
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]	123777356.23	128521161.30
5^-N-Methylcarboxamidoadenosine	63276940.74	51664751.23
5^-O-beta-D-Glucosylpyridoxine	434974097.23	222287418.97
5-O-Caffeoylshikimic acid	3398260.85	4473938.99
5-O-Demethylnobiletin	29446210.50	45414158.75
5-O-Methylvisamminol	27980253.84	30619452.55
5-oxoproline	967414488.33	786384463.67
6,7,8,3^,4^,5^-Hexamethoxyisoflavone	70411017.96	51644170.78
6,7,8-Trihydroxycoumarin	5275887.41	3755601.34
6,8-Di-C-alpha-L-arabinopyranosylapigenin	56699813.76	50579110.63
6alpha-Hydroxy-castasterone	7989245.32	14526074.23
6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione	16853238.64	22224485.89
6-cis-Docosenamide	1447476070.50	3202809508.17
[6]-Dehydroshogaol	11002769.94	8900397.36
6-Dimethylaminopurine	2861512.46	3271413.65
(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol	13470140.71	19420804.08
6-Fluorotryptophan	2200422.70	2712083.37
[6]-Gingerol	84764089.15	37272459.69
6-Hydroxy-5-fluorocytosine	11941338.25	5505927.44
6-Hydroxynicotinic acid	26906118.63	26855968.85
6-Methoxy-7,8-methylenedioxycoumarin	2245899.30	3481674.23
6-Methyluracil	486941632.48	371570275.93
(6R,9R)-Roseoside	40291677.03	16036494.69
6-Thiourate	4299367.78	3105032.48
7,12-Dimethylbenz[a]anthracene	4876450.08	2489470.29
7,8,3^,4^,5^-Pentamethoxy-6^^,6^^-dimethylpyrano[2^^,3^^:5,6...	30635557.70	9398740.58
7,8,3^,4^-Tetrahydroxyflavone	19949943.67	16818990.27
7,8-Dihydroxyflavone	20994261.30	2904908.30
7-Acetoxy-5,6-dimethoxycoumarin	18464173.18	24228904.81
7-Acetyllycopsamine	82191946.17	63499752.54
(+)-7alpha,8alpha-Epoxyblumenol B	105647290.24	140108466.82
7alpha-Thiomethylspironolactone	28564899.50	13348825.15
7-Aminocephalosporanic acid	4483733.56	1782021.24
7beta-Hydroxycatuabine I	85479601.25	32426859.15
7-Deoxyloganetin	35161488.83	33027487.02
7-Ethoxy-4-methylcoumarin	1119548.11	1850170.65
7-Hydroxy-1(3H)-isobenzofuranone	8723041.63	8849948.58
7-Hydroxy-5,6,8,3^-tetramethoxy-4^,5^-methylenedioxyflavone	5827724.13	8224936.29
7-Hydroxymitragynine	174704339.30	56595367.66
7-hydroxyolanzapine	10015588.25	553729.76
7-methoxy-4-methylcoumarin	15186811.60	22969355.42
7-Methoxy-4-methyl-coumarin-8-ol	14085129.97	14615472.55
7-Methyladenine	18900240.82	14839374.15
7-Methylcoumarin	23800642.57	27131950.18
7-Oxostigmasterol	155513550.03	182155011.22
7Z,10Z-Hexadecadienoic acid	10369628.36	8961264.34
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one	40443531.37	60996937.39
8-(3,3-Dimethylallyl)spatheliachromene	9474262.65	6176266.87
8-Amino-3,8-dideoxy-D-manno-octulosonate	244869006.63	153914375.27
8-Epideoxyloganic acid	44479568.81	18309998.89
8-Epidiosbulbin E acetate	18278442.22	8315032.50
[8]-Gingerol	30348022.81	22224174.90
8H-cyclopenta[a]acenaphthylene	54101110.46	53873919.50
8-Methoxykynurenate	22323981.93	28977548.41
8-methyltetraphene-1,5,6,11,12-pentol	40762047.98	29187079.20
8Z,11Z,14Z,17Z-eicosatetraenoic acid	215961187.92	239856007.35
9,10-Dihydrophenanthrene	1443053.31	1448828.64
9,10-Dihydroxyanthracene	2934574.34	4382058.67
9,10-EOT	97255931.86	66095625.75
9-(alpha-D-glucosyl)dihydrozeatin	2049979.18	946535.97
9-Fluorenone	16525916.01	14133244.96
9-Geranyl-alpha-terpineol	155432407.92	80021233.35
9-Hydroxygeranyllinalol	375784378.42	255335173.87
9-Hydroxyoctadecanoic acid	301216204.38	333501619.98
9-Methoxycanthin-6-one	2045330.51	2732606.40
9-Methoxyellipticine	1953977.33	806832.76
9-[(methylthio)nonyl]thiohydroximic acid	28768935.23	17438050.68
9-Octadecen-1-amine	26650852.53	45312322.83
9-O-Methylneodunol	12293990.10	13174440.04
9(S)-HOTrE	169831570.13	86730736.77
9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester	18529369.57	12478240.41
(9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acid	143684511.88	79434696.41
Abacavir	154886842.20	172241457.23
Acacetin	5714516.14	10588561.36
Acacetin 7-glucoside	2189634.96	3466036.60
Acanthovagasteroid A	8648987.55	3083555.81
Acebutolol	4423165.04	1906017.22
ACENAPHTHYLENE	3810076.64	3808858.56
Acetaminophen	58118100.18	51752209.84
Acetaminophen glucuronide	2907714.05	2224027.40
Acetylagmatine	308685964.35	165949533.60
Acetylloboridin	10999605.12	5988943.81
Acetylsalicylic acid	88999604.43	90462988.75
Acetyl tributyl citrate	17099781.85	48828576.88
Achillamide	9265684.07	2622911.98
Acisoga	2402737.65	4392702.01
Acivicin	6709516.02	6346228.07
Acridine	8073898.08	8572652.92
Ac-Tyr-OEt	10466007.55	13458373.52
Adalinine	37841469.08	20296914.62
Adenine	363363639.98	599606629.85
Adenine monohydrochloride hemihydrate	734633030.32	753538438.12
Adenosine	3790339960.50	3257922024.83
Adenosine-2^-monophosphate	641013541.98	748165145.33
AdipoRon	132675612.72	57622207.60
Adrenosterone	18995908.21	13341246.39
Agecorynin B	25583204.23	29188403.72
Aggreceride C	4933565.49	7569445.12
Agomelatine	26933733.05	33724269.16
Ailanthone	68272679.88	39493967.65
Ajugaciliatin I	128965018.75	36114525.45
AKBA	4233179.17	5493766.66
Ala-Asp-Pro	14924171.92	10759284.43
Alanylhydroxyproline	12235889.50	10787383.79
Alanyl-Leucine	16084505.10	36157713.65
Albiflorin	8369151.30	3090059.90
albocycline	158761753.22	126922145.85
Aldoxycarb	1484265.00	5230592.86
Aleuritic acid	59598529.98	76151497.98
Alimemazine	5133971.16	610950.21
Allantoxanamide	6312142.57	6631591.28
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one	3825291.62	3460727.26
Allocholic acid	25319314.71	7962759.38
all-trans-4-Oxoretinoic acid	271305954.97	293558135.32
Aloe-emodin-8-O-beta-D-glucopyranoside	9998176.57	4195750.38
alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazi...	48589637.16	50124520.73
alpha-Arbutin	3799660.00	1906924.98
alpha-Asarone	32648982.24	30764312.18
alpha-D(+)Mannose 1-phosphate	16781673.07	16370755.13
alpha-D-Sedoheptulopyranose 7-phosphate	439681.01	2296029.37
alpha-Hydrojuglone-4-glucoside	170158250.58	84482933.78
alpha-Linolenic acid	847663967.30	400072221.97
alpha-Linolenoyl Ethanolamide	77449251.01	24389415.80
alpha-L-Rhamnose monohydrate	55203890.43	97413021.63
alpha-Phocaecholic acid	38871024.78	35059871.67
Alstovine	2617098.76	97452483.91
(+/-)-Altenuic acid II	17564272.82	3910959.30
Alternarienonic acid	53344664.65	48468662.63
Altrenogest	295610277.62	305662598.50
Ambroxide	10296565.17	8116155.04
Amfenac	4174382.86	2999353.06
Aminopentol	63971308.28	74493320.16
Ammelide	38385677.83	30116073.97
Ammodendrine	10350208.02	20432405.86
amprolium	8685946.57	9128608.35
(+/-) Anabasine	1497971.74	2365961.35
Anacardic Acid	7320073.75	2679216.71
Ancistroquinone	23107021.35	22673147.49
Andrachamine	2928845.58	2486952.22
Andrachcine	10505166.55	10236483.53
Andrachcinidine	48352653.53	46663335.91
Andrachcinine	6568412.18	2107975.69
Anhydrolutein I	5432247.03	32742327.61
Anhydrovitamin A1	18661096.64	15815416.77
Anisomycin	2488365.46	2497399.06

10-Deacetoxybarbilycopodin

166231666.50

93522730.14

10-Gingerol

83835343.85

28109055.65

10R,13aR-Tylophorine N-oxide

21423324.96

23157304.29

1,1,1,1-Kestohexaose

41791264.05

34112190.34

1-18:3-lysoPC

1397956117.33

1099629597.28

11-Beta-hydroxyandrostenedione

10710556.06

2804539.42

11-deoxy-PGE1

105713650.85

135770047.78

1,1-Dichloroacetone

3880708.46

3974843.42

11-Hydroxyrankinidine

2585170.26

559309.17

(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone

27815939.17

7946614.87

1,2,3-Trimethoxynaphthalene

127956493.00

27113088.40

1,2-Bis(diphenylphosphino)ethane

76903136.58

49051757.47

12-Dehydroporson

22649117.32

17370226.42

12-Demethylmultiorthoquinone

30403228.21

23936947.73

12-Deoxywithastramonolide

11868928.54

4461317.21

1,2-Diazenedicarboxamide

69886395.58

56104449.29

1,2-Dichloropropane

2945820.80

3714486.52

1,2-dihydroxyheptadec-16-en-4-yl acetate

13071454.35

7311477.60

1,2-dihydroxyheptadec-16-yn-4-yl acetate

61373248.55

63202936.40

12-Epinapelline

25122275.90

438717.46

1,2-Naphthoquinone

10563981.99

5901230.75

12-OPDA

215029824.67

163348580.77

12S-HETrE

237151107.05

338369829.68

13,14-dihydro Prostaglandin F1alpha

7813351.15

12737277.89

1,3,2-Dioxathiolane 2,2-dioxide

2407063.27

1687479.31

1,3,7-Trimethylisoguanine

2399435.94

2743273.90

1,3,8-Naphthalenertriol

8097457.45

8604952.71

13beta,29-Dihydroxymilbemycin A3

38797266.77

62504511.77

1-(3-Chlorophenyl)piperazine

3075422.85

7090459.90

13-cis-Retinol

97443754.83

80319631.75

1,3-DIMETHYLURIC ACID

2133733.65

5422132.08

13-OxoODE

2589450260.00

1841611895.00

1,4,8,11-Tetraoxacyclotetradecane

9128414.07

9544644.63

1,4-Cyclohexanedicarboxylic acid

762128.65

1028304.30

1,4-D-Gulonolactone

52128985.73

29626492.62

1,5-anhydroglucitol

36187827.84

41097528.86

1,6,10-Phytatriene-3,5,14,15-tetral

38110996.49

35427270.23

17a-Aza-D-homoandrost-5-en-3beta-ol

6605604.16

6920228.64

17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate

31981524.22

29445858.53

17beta-Amino-5alpha-androstan-11beta-ol

114731846.12

128975385.00

1,8-Diazacyclotetradecane-2,9-dione

5044933.94

5396103.41

1,8-Dihydroxy-3-methylnaphthalene

9735224.50

10323150.60

19-Hydroxyconopharyngine

18282779.23

16278270.64

1-(9Z-Eicosenoyl)-sn-glycero-3-phosphocholine

82987477.32

70036284.53

1-Amino-2-methylanthraquinone

50192603.50

43479951.40

1-Anilino-9,10-dioxo-2-anthroic acid

40020869.43

30032171.88

1-beta-D-glucopyranosyl-L-tryptophan

24705278.52

7459228.09

1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide

15864260.99

16755354.29

1-Decanethiol

44584657.15

38245100.08

1-Dodecanesulfonic acid, 1-hydroxy-3-oxo-

12649526.85

1182842.67

1-Dodecyl-2-pyrrolidinone

10029281.38

11885984.27

1-dodecylglycerone 3-phosphate

14852932.22

9376305.71

1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane

167389894.20

202959195.87

1F-Fructofuranosylnystose

88553118.29

86032314.47

1h,8h-Pyrano[3,4-c]pyran-1,8-dione

1739393.42

1836435.94

1H-Benzotriazole-5-carboxylic acid

12095081.34

9688380.22

1-heneicosanoyl-glycero-3-phosphate

77467790.94

66085033.91

1-heptadecanoyl-sn-glycero-3-phosphocholine

89401520.58

73124448.37

1-heptadecylglycerone 3-phosphate

17726142.33

17581372.25

1-Hexadecanethiol

494383940.57

467748546.33

1-Hexadecylamine

5596093.21

8532127.58

1-Hexadecyl Lysophosphatidic Acid

67764891.07

106534257.62

1-Hydroxy-2,3,4,5-tetramethoxy-xanthone

24737688.32

20263824.14

1-Hydroxy-2-naphthaldehyde

33994364.65

15233604.09

1-Hydroxy-2-naphthoate

50119045.20

63507661.45

1-Hydroxybenzotriazole

2196573.49

1675897.88

1-Isopropyl citrate

349144.84

312461.61

1-Kestose

5682164220.00

5780317443.33

1-MeO-I3CH2NH2

60081595.77

32370790.68

1-Methoxyphenanthrene

412961.86

476497.95

1-Methyl-4-phenyl-2H-pyridine

27577079.96

31107064.53

1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

35477970.39

27739213.93

1-Methylguanosine

11540841.37

7771461.94

1-Methylpseudouridine

21570897.93

18720763.16

1-Methylxanthine

4724255.73

2779420.38

1-Monomyristin

93475846.51

110685245.98

1-Monopalmitin

278122421.97

319544814.07

1-Nitrosonaphthalene

32508383.82

18074528.77

1-Nonanethiol

467424852.80

247478143.48

1-O-Oleyl LPA

11567236.47

6906142.61

1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine

27461057.40

20520225.97

1-pentadecanoyl-glycero-3-phosphate

25964035.84

36927987.05

1-Pentanone, 3-hydroxy-1,5-diphenyl-

34537170.41

35661651.66

(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic...

4183479.54

2923862.71

(1S,2R)-O-Methylnyasicoside

33057601.50

7668584.22

20-Deoxyingenol

11960630.55

9451007.24

20-hydroxy-fusarin

529231766.98

513042032.13

(20R)-Protopanaxadiol

20526451.18

22386710.04

(20S)-Protopanaxatriol

7675455.86

14950344.39

(+/-)-2-(1-Methylpropyl)-4,6-dinitrophenol

1995769.86

7205899.72

2,2,2-Trifluoroethyl

2416326.80

1371443.64

2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien

90126242.10

64016289.82

2,2-Dimethyl-6-(1-hydroxyethyl)chroman-4-one

23762059.35

19154658.78

2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-fluoroaniline

4849918.43

4653888.57

2,3,4,5,2^,6^-Hexamethoxy-3^,4^-methylenedioxychalcone

22919609.57

18332540.84

2-(3,4-dimethoxyphenyl)ethanamine

409120.25

1080470.46

2^,3^-Dideoxyuridine

5419745.23

2947843.96

2,3-Dihydrofarnesol

7071355.30

4725948.75

2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone

39919396.48

43512998.10

2,3-Dimercapto-1-propanol tributyrate

50604494.95

31123467.28

2,3-DIMETHYL-1,4-HEXADIENE

7903268.12

9570095.59

(2,3-diphenylcyclopropyl)methyl phenyl sulfoxide

19809559.75

24027344.28

2,4,5-Trimethoxybenzoic acid

35807713.23

52695596.92

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-met...

31373940.95

16542560.14

2,4,6-Trihydroxybenzoic acid

14418074.33

12845653.16

2,4,6-Trithiaheptane

6803670.25

6883109.32

2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile

35201346.20

15447464.97

2,4-Diamino-6,7-diisopropylpteridine

3500015.67

5022033.90

2,4-Dinitrophenylhydrazine

22886743.27

19096955.83

24-methylene-19-norcholesta-1,3,5(10)-trien-3-ol

7859687.66

6158680.02

2-(4-Morpholinyl)benzothiazole

8387587.05

9068647.09

2,5-Dimethyl-1,4-dithiane-2,5-diol

1633805.22

1401139.86

2,5-Furandicarboxylate

43155902.96

32701290.46

25R-Spirostan-4-ene-3,6,12-trione

5923986.16

4590357.10

2,6,6-Trimethyl-2-cyclohexene-1,4-dione

56859158.33

45583969.49

2,6,7-Trihydroxy-9-methylxanthen-3-one

3983800.41

6404298.62

2,6-Diaminoheptanedioic acid

249538109.90

164509953.80

2,6-dihydroxyanthraquinone

5150544.65

6091363.09

2,6-Dimethoxy-1,4-benzoquinone

114838246.03

98488765.58

2,6-Dimethylquinoline

148076600.05

167606752.13

2,6-Dithiopurine

15905590.47

17685419.34

2^-Acetylacteoside

195828318.05

35216934.81

2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate

16181176.41

36784939.65

2-amino-1,3,4,5-icosanetetrol

396606529.07

469778465.70

2-amino-1,3,4-tetradecanetriol

1782305.11

1277759.19

2-Amino-4-methoxyphenol

15709321.82

20471407.63

2-aminohexadecanoic acid

5415244.30

103760230.75

2-Aminooctanoic acid

66402691.55

36231796.86

2-Benzimidazolecarbamic acid

3682140.34

3011451.91

2-(Benzo[d][1,3]dioxol-5-yl)-1-methylquinolin-4(1H)-one

15924904.62

16985022.59

2-Butyl-3-phenyl-2-propen-1-al

146518923.37

65294000.68

2-Carboxybenzaldehyde

14654468.87

17354920.43

2^-Deoxyadenosine

209763258.77

650341190.52

2^-Deoxycytidine

705690.94

646113.81

2^-Deoxymugineic acid

37046753.09

87245663.92

2^-DEOXYURIDINE 5^-MONO-PHOS-PHATE

741101.97

2279440.29

2-Dodecanone

490682.17

437431.26

(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosy...

1870878.21

2642650.28

(2E)-2-dodecen-1-ol

367174.44

323311.84

(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide

9544992.06

23893092.98

(2E,4E)-1-(Pyrrolidin-1-yl)dodeca-2,4-dien-1-one

11684198.46

7618304.40

2E,4Z-Octadienal

166893976.30

189735727.80

(2E)-hexenedioylcarnitine

1268167.38

2434058.32

2-Fluoroethcathinone

1734321.80

809772.87

2-Hexynyl-5^-N-ethylcarboxamidoadenosine

73295148.51

87086110.35

2^-Hydroxy-3,4,4^,6^-tetramethoxychalcone

8662723.42

9203124.17

2-Hydroxy-3-carboxybenzalpyruvate

9982398.08

29187979.61

2-hydroxy-3-methylvalerate

32005643.10

33280351.87

2-Hydroxy-4-methoxybenzaldehyde

55786651.05

59581615.55

2-Hydroxy-4-trifluoromethyl benzoic acid

372344.44

2561224.17

2-Hydroxycinnamic acid

54946430.15

64887888.03

2^-Hydroxydaidzein

10387582.13

1515823.97

2-Hydroxymethyltetrahydropyran

37869983.29

39060850.34

2-hydroxyoctanoic acid

88223910.36

144483821.30

2-Isobutyl-3-methoxypyrazine

2642366.52

855169.01

2-Linoleoyl Glycerol

1162559163.28

290191070.57

2-linoleoyllysophosphatidylcholine

19469656391.00

15414038460.67

2-Methoxycinnamic acid

10037928.79

13068959.78

2-METHOXYRESORCINOL

139934023.28

171184112.95

2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate

21577473.10

9869541.37

2-Methylcitric Acid

989353.51

547905.40

2-Methylcyclopentane-1,3-dione

70590577.39

88923104.79

2-Methyleneglutarate

611805644.85

706038190.32

2-Naphthaldehyde

11339932.13

4277301.53

2-Naphthalenol

7251859.99

9187496.61

(2-Naphthyl)methanol

44548031.81

23401389.18

2-Oleoyl-sn-glycero-3-phosphocholine

3470085215.33

3014687273.50

2^-O-Methyladenosine

63735305.47

44511440.09

2^-O-Methylguanosine

19688529.14

9745189.68

2-palmitoleoyl-glycerol

15717934.88

3741982.51

2-Palmitoylglycerol

25160722939.00

27563605020.83

2-Phenylacetamide

381166386.78

341038035.32

2-Phenylbutanoic acid

2501701.53

5593832.11

2-Phenylpropionate

39578198.68

40869835.37

2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide

221345.24

272465.55

2-Quinoxalinol, 3-methyl-, 2-formate

45554047.86

28753856.95

(2R)-2-(2-Hydroxyhydrazinyl)-3-sulfanylidenepropanoic acid

7045640.51

7039534.28

(2R-trans)-2-Butyl-5-heptyl-pyrrolidine

1742031.89

913234.09

(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-o...

156446853.63

179976789.53

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropy...

42688010.70

98963895.48

(2S)-2-Amino-3-[(2-chloroacetyl)amino]propanoic acid

2993977.88

2643170.91

(2S,2^S)-Pyrosaccharopine

7145712.16

7338391.27

(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate

114080658.70

70623896.95

2-Sulfamoylacetic Acid

2501893.45

843587.10

3-(1H-Indol-3-yl)quinoline

3412502.31

3697971.94

3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid

1307367.94

1637619.78

3-(2-Hydroxyphenyl)propanoic acid

222647081.10

170498191.42

(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone

3227098.50

3911905.47

3-[(2-Oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoate

37572753.77

25588547.86

3,3^,4^,5,6,7,8-heptamethoxyflavone

27748536.99

24673277.38

3-(3,4,5-Trimethoxyphenyl)propanoic acid

16268655.40

16101959.48

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

10039500.48

9000896.56

3-(3-Amino-3-carboxypropyl)uridine

14392897.38

6600269.27

3-(3-Hydroxyphenyl)propionic acid

109421648.50

81947379.43

3-(3-Methoxyphenyl)propionic acid

6352959.75

3532159.82

3-[4-(4-Chlorophenyl)cyclohexyl]naphthalene-1,2,4-trione

105609480.28

128866267.56

3^,4^,5^,5,7-Pentamethoxyflavone

115583558.52

73859837.51

(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate

7162276.57

2848342.69

3,4-Dicaffeoyl-1,5-quinolactone

16838346.21

10256578.88

3,4-Dihydroxybenzeneacetic acid

282491241.27

291401232.30

3,4-Dihydroxyhydrocinnamic acid

95826964.78

122370592.12

3,4-Dihydroxymandelic acid

8691603.93

8824143.64

3,4-Dihydroxyphenylethyleneglycol

168471715.78

167776194.68

3,4-Dimethoxyphenylacetic acid

53361530.69

80788483.49

3,4-Dimethyl-1,2-cyclopentanedione

22949753.91

21478068.00

3-(4-Hydroxyphenyl)-1-propanol

715802355.85

634916826.37

3-(4-Hydroxyphenyl)propionic acid

118386037.70

97895094.81

3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic a...

112982283.65

173671115.03

3,4-Methylenedioxymandelic acid

14985387.48

23775386.93

3,5,3^-Trihydroxy-4^-methoxy-6,7-methylenedioxyflavone

4073804.04

3515090.28

3,5,7,4^-Tetrahydroxy-3^-methoxy-8-prenylflavanone

127756999.42

65325291.15

3,5-dihydroxydecanoic acid

5881583.11

5698346.25

3,5-Dihydroxyphenylglyoxylate

742265.34

532839.35

3^,5-Dimethoxy-4-hydroxy-4^-(3,3-dimethylallyl) stilbene

21227044.94

25375261.79

3,5-Dimethyl-1,2-cyclopentanedione

52543073.99

50546166.72

3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one

16249462.28

15873039.32

3,6-Dihydroxydecanoylcarnitine

221649938.90

258162164.90

3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside

22330587.75

14932073.10

3,7-Dimethylguanine

19610743.32

10549822.45

3,7-Epoxycaryophyllan-6-Ol

49108588.66

49400132.41

3,8-Dimethoxy-5,7-dihydroxy-3^,4^-methylenedioxyflavone

14567127.96

14826035.07

3^-Acetylindicine

12277228.30

5912211.98

3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane

5120021.52

18249172.80

3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide

21873753.74

20287150.35

3alpha-Hydroxyoreadone

5580737.96

3714271.31

3-Aminoacetophenon

348602359.45

343562347.05

3-Aminosalicylic acid

7872172.61

8611942.10

3beta,4alpha,13alpha-Trihydroxylupanine

6056985.42

951708.15

3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene

108188518.61

23043274.27

3beta-Fluoro-5beta-pregnan-20-one

510392032.12

579132612.73

3beta-Hydroxysolanascone beta-sophoroside

3822662.08

5318819.64

3b-hydroxy-5-cholenoic acid

11084844.00

591669.40

3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol

2444032.70

2507185.15

3-Deamino-3-hydroxykanamycin X

36987062.50

27366275.48

3-Deoxyestradiol

2707678.28

2737705.74

3-Dimethylallyl-4-hydroxymandelic acid

36609009.54

39065442.96

3-Fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]be...

4434074.87

7750323.86

3-(hexadecyloxy)-2-oxopropyl dihydrogen phosphate

38069717.10

35112582.37

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

38021397.52

46950484.74

3-hydroxy-3-methylglutarate

183675717.53

218653881.78

3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl

3494756.78

3474906.52

3-hydroxydecanoylcarnitine

5720816.15

3823135.77

3-Hydroxyhept-4-enoylcarnitine

2729123.86

732856.39

3-Hydroxypicolinic acid

717019.37

892325.69

3^-Hydroxypuerarin

47289270.54

6137932.17

3-Ketosphingosine

178420789.57

183007450.02

3-Methoxyanthranilate

9976992.17

11317871.94

3-Methoxyflavone

2001518.60

1946401.34

3-Methyladenine

32406090.44

21379331.66

3-Methylguanine

23263661.39

10552608.22

3-Methylindole

870969328.80

531163373.88

3-Methyl-(triazen-1-yl)imidazole-4-carboxamide

4899323.36

7026869.85

3-O-Angeloylsenecioodontol

5918253.42

6398054.97

3^-O-beta-Glucopyranosyl plumbagic acid methyl ester

28624904.98

9481561.28

3-(Octyloxy)propan-1-amine

937281091.92

9822799.58

3-Oxo-4,6-choladien-24-oic acid

97715889.60

21919050.27

3-Oxo-7-hydroxychol-4-enoic acid

6303716.32

5410092.82

3-Oxotetradecanoic acid

381841.32

522942.94

3-Phenyl-4-pentenal

41648840.23

43534341.35

(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3...

8691571.26

8649867.78

(3R)-3,21-dihydroxyhenicosanoic acid

418105746.38

818023071.17

(3R)-Vestitol 7-O-glucoside

50086176.42

38728552.80

(3S,5S)-Carbapenam-3-carboxylic acid

24633273.30

19879405.86

3-Sulfinylpyruvic acid

3282958.69

3670896.24

3-Tigloyloxynortropane

7927879.47

7831582.48

3-Trehalosamine

132748862.98

134358089.00

4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol

2418947.28

2566446.93

4-(3-AMINO-2-HYDROXYPROPOXY)PHENYLACETAMIDE

8188958.79

1969409.72

4-(3-Indolyl)butane-1,2,3-triol

2952510.63

3347657.53

4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoyl Chloride

6990441.45

5118113.54

4,4^-Diapophytofluene

25959153.20

26719747.57

4,4-Difluoropregn-5-ene-3,20-dione

143003298.52

85481369.09

4,4^-Dihydroxybenzophenone

11960340.83

6283366.94

4,4^-Methylenebis(2,6-di-tert-butylphenol)

105693373.26

131395818.82

4^,5,6-Trimethylscutellarein 7-glucoside

9772664.04

8720467.12

4^,5,7-Trimethoxyflavone

13194578.11

12676932.00

4,5-Dihydromelampodin B

4064827.52

2453448.15

4,5-Dimethoxy-1,2-benzenedicarboxylic acid

1011066.83

932588.10

4,7-Dimethoxy-1-vinyl-beta-carboline

10091307.35

7189597.34

4-Allylcatechol

26491759.81

23849990.12

4beta-Hydroxycholesterol

62525862.73

85875026.01

4-Carboxypyrazole

340797310.03

204131634.42

4-Chloro-1,3-dioxolan-2-one

1808680.36

2175077.33

4-Chlorobenzophenone

3408724.35

3347167.49

4-Chlorobenzotrifluoride

13874984.59

14126319.74

4-Coumaroyl-2-hydroxyputrescine

53310723.88

87134912.59

4^-Demethylpodophyllotoxin

36008828.91

35770633.01

4-Deoxypyridoxine

20567245.92

24259183.73

4-(Diethylamino)benzaldehyde

81946797.77

86210761.53

4-(Dimethylamino)butyl carbamimidothioate

154705053.78

104255897.49

4-(Dimethylamino)phenylthiocyanate

19515948.30

20520950.15

4-Ethylphenol

68851073.17

68806476.93

4-Feruloylquinic acid

37446365.85

23969992.32

4-(Fluoromethyl)benzoic Acid

3311602.80

1434833.25

4-Guanidinobutanal

74004883.56

46504725.80

4-guanidinobutanoate

3734655412.33

2436609057.33

4-HADNT O-glucoside

3339217.06

1744248.18

4-Hydroxy-3,5,5-trimethylcyclohex-2-enone

47087536.60

53767547.04

4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphate

1428446.85

1461887.99

4-Hydroxy-6-methyl-2-pyrone

963752599.55

1349705478.33

4-Hydroxy-6-nonadecanone

55913823.74

113865465.18

4-Hydroxyacetophenone

175113026.32

78279382.78

4^-Hydroxychalcone

242381.56

379268.13

4-Hydroxycinnamic acid

90510563.93

85503489.13

4-Hydroxyestrone

30593704.43

3158130.93

4-Hydroxyhippuric acid

16788699.36

4292942.76

4-Hydroxyphenacyl alcohol

219513256.67

274140813.08

4-Hydroxyphenylpyruvic acid

234794431.58

206673642.45

4-Hydroxyproline

51561215.93

30362028.28

4-Hydroxyvoriconazole

24994484.45

22061551.60

4-Isopropyl-2-methylphenol

45936220.51

42823991.76

4-Methoxy-2-methyl-N-phenylaniline

18599112.61

1022153.03

4-methoxy DMT

27021710.35

42575719.95

4^-Methoxypuerarin

2076567.80

3657373.39

4-Methyl-3-oxoadipate

8598038.35

7214858.76

4^-Methylacetophenone

92667541.48

56614865.60

4-Methyldaphnetin

24833490.60

16675284.55

4-methylthiobutyldesulfoglucosinolate

3691123.92

3611592.81

4-Methylumbelliferyl beta-D-glucuronide

65441440.57

96966106.14

4-Methylumbelliferyl-beta-D-xylopyranoside

99841882.76

30952737.56

4-Nitrophenol

29220004.39

19601321.11

4-Oxopentanoylcarnitine

5211435.25

3417521.94

4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione

9479584.94

8220558.43

4-tert-Butylphenol

22845870.96

27015680.04

5,10-Methylene-THF

3169753.20

7931253.18

5-(10-Nonadecenyl)-1,3-benzenediol

63593349.96

129464292.33

5-(1-oxopropan-2-yl)isolongifol-5-ene

41198172.28

27834613.81

5,3^,5^-Trihydroxy-3,6,7,8,4^-pentamethoxyflavone

24946459.07

12052283.73

5-(4,5-Dihydroxypentyl)uracil

2297380.25

1276479.53

5-(4-HYDROXYPHENYL)-5-PHENYLHYDANTOIN

3242856.31

4396832.17

5,6-Dihydrouridine

5443882.16

2562542.17

5-Acetoxyisogoniothalamin oxide

42830473.24

49436789.03

5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate

25558721.11

571100.57

5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-...

15107877.04

15420083.15

5alpha-Androstan-2-en-17beta-ol

47062348.83

60356041.74

5-borylporphine

31120616.41

40661360.27

5-[(Diaminomethylidene)amino]-2-(sulfanylmethyl)pentanethioi...

18370711.96

16632158.18

(5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-o...

18761513.69

42808009.50

5-Ethynyl-5^-(1-propynyl)-2,2^-bithiophene

7840657.21

1177898.36

5-Formylbenzofuran

24548245.31

27359784.63

5-(Heptadec-12-enyl)resorcinol

26528392.99

32488031.14

5-Hydroxy-8-methoxycalamenene

149462837.55

147689201.37

5-Hydroxyflunixin

9622039.58

16935688.77

5-hydroxyfuran-2-carboxylic Acid

193161659.72

143070954.68

5-Hydroxyindoleacetylglycine

334690.14

384096.02

5-Hydroxyisourate

35005228.26

36940254.50

5-Hydroxymethylfurfuryl alcohol

211047598.73

207741092.03

5-Hydroxytryptophan

55095686.61

30156073.69

5-Hydroxytryptophol

99604689.06

42168272.10

5-(Methoxycarbonyl)thiophene-2-carboxylic acid

4772979.20

5083657.87

5-Methoxymaculine

8310736.02

9046520.31

5-Methyl-2^-deoxycytidine

1686450.21

266701.67

5-Methylangelicin

24695695.45

11003468.66

5-Methylcoumarin

92321635.50

45915412.10

5^-Methylthioadenosine

202945231.00

78676039.36

5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]

123777356.23

128521161.30

5^-N-Methylcarboxamidoadenosine

63276940.74

51664751.23

5^-O-beta-D-Glucosylpyridoxine

434974097.23

222287418.97

5-O-Caffeoylshikimic acid

3398260.85

4473938.99

5-O-Demethylnobiletin

29446210.50

45414158.75

5-O-Methylvisamminol

27980253.84

30619452.55

5-oxoproline

967414488.33

786384463.67

6,7,8,3^,4^,5^-Hexamethoxyisoflavone

70411017.96

51644170.78

6,7,8-Trihydroxycoumarin

5275887.41

3755601.34

6,8-Di-C-alpha-L-arabinopyranosylapigenin

56699813.76

50579110.63

6alpha-Hydroxy-castasterone

7989245.32

14526074.23

6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione

16853238.64

22224485.89

6-cis-Docosenamide

1447476070.50

3202809508.17

[6]-Dehydroshogaol

11002769.94

8900397.36

6-Dimethylaminopurine

2861512.46

3271413.65

(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol

13470140.71

19420804.08

6-Fluorotryptophan

2200422.70

2712083.37

[6]-Gingerol

84764089.15

37272459.69

6-Hydroxy-5-fluorocytosine

11941338.25

5505927.44

6-Hydroxynicotinic acid

26906118.63

26855968.85

6-Methoxy-7,8-methylenedioxycoumarin

2245899.30

3481674.23

6-Methyluracil

486941632.48

371570275.93

(6R,9R)-Roseoside

40291677.03

16036494.69

6-Thiourate

4299367.78

3105032.48

7,12-Dimethylbenz[a]anthracene

4876450.08

2489470.29

7,8,3^,4^,5^-Pentamethoxy-6^^,6^^-dimethylpyrano[2^^,3^^:5,6...

30635557.70

9398740.58

7,8,3^,4^-Tetrahydroxyflavone

19949943.67

16818990.27

7,8-Dihydroxyflavone

20994261.30

2904908.30

7-Acetoxy-5,6-dimethoxycoumarin

18464173.18

24228904.81

7-Acetyllycopsamine

82191946.17

63499752.54

(+)-7alpha,8alpha-Epoxyblumenol B

105647290.24

140108466.82

7alpha-Thiomethylspironolactone

28564899.50

13348825.15

7-Aminocephalosporanic acid

4483733.56

1782021.24

7beta-Hydroxycatuabine I

85479601.25

32426859.15

7-Deoxyloganetin

35161488.83

33027487.02

7-Ethoxy-4-methylcoumarin

1119548.11

1850170.65

7-Hydroxy-1(3H)-isobenzofuranone

8723041.63

8849948.58

7-Hydroxy-5,6,8,3^-tetramethoxy-4^,5^-methylenedioxyflavone

5827724.13

8224936.29

7-Hydroxymitragynine

174704339.30

56595367.66

7-hydroxyolanzapine

10015588.25

553729.76

7-methoxy-4-methylcoumarin

15186811.60

22969355.42

7-Methoxy-4-methyl-coumarin-8-ol

14085129.97

14615472.55

7-Methyladenine

18900240.82

14839374.15

7-Methylcoumarin

23800642.57

27131950.18

7-Oxostigmasterol

155513550.03

182155011.22

7Z,10Z-Hexadecadienoic acid

10369628.36

8961264.34

8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one

40443531.37

60996937.39

8-(3,3-Dimethylallyl)spatheliachromene

9474262.65

6176266.87

8-Amino-3,8-dideoxy-D-manno-octulosonate

244869006.63

153914375.27

8-Epideoxyloganic acid

44479568.81

18309998.89

8-Epidiosbulbin E acetate

18278442.22

8315032.50

[8]-Gingerol

30348022.81

22224174.90

8H-cyclopenta[a]acenaphthylene

54101110.46

53873919.50

8-Methoxykynurenate

22323981.93

28977548.41

8-methyltetraphene-1,5,6,11,12-pentol

40762047.98

29187079.20

8Z,11Z,14Z,17Z-eicosatetraenoic acid

215961187.92

239856007.35

9,10-Dihydrophenanthrene

1443053.31

1448828.64

9,10-Dihydroxyanthracene

2934574.34

4382058.67

9,10-EOT

97255931.86

66095625.75

9-(alpha-D-glucosyl)dihydrozeatin

2049979.18

946535.97

9-Fluorenone

16525916.01

14133244.96

9-Geranyl-alpha-terpineol

155432407.92

80021233.35

9-Hydroxygeranyllinalol

375784378.42

255335173.87

9-Hydroxyoctadecanoic acid

301216204.38

333501619.98

9-Methoxycanthin-6-one

2045330.51

2732606.40

9-Methoxyellipticine

1953977.33

806832.76

9-[(methylthio)nonyl]thiohydroximic acid

28768935.23

17438050.68

9-Octadecen-1-amine

26650852.53

45312322.83

9-O-Methylneodunol

12293990.10

13174440.04

9(S)-HOTrE

169831570.13

86730736.77

9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester

18529369.57

12478240.41

(9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acid

143684511.88

79434696.41

Abacavir

154886842.20

172241457.23

Acacetin

5714516.14

10588561.36

Acacetin 7-glucoside

2189634.96

3466036.60

Acanthovagasteroid A

8648987.55

3083555.81

Acebutolol

4423165.04

1906017.22

ACENAPHTHYLENE

3810076.64

3808858.56

Acetaminophen

58118100.18

51752209.84

Acetaminophen glucuronide

2907714.05

2224027.40

Acetylagmatine

308685964.35

165949533.60

Acetylloboridin

10999605.12

5988943.81

Acetylsalicylic acid

88999604.43

90462988.75

Acetyl tributyl citrate

17099781.85

48828576.88

Achillamide

9265684.07

2622911.98

Acisoga

2402737.65

4392702.01

Acivicin

6709516.02

6346228.07

Acridine

8073898.08

8572652.92

Ac-Tyr-OEt

10466007.55

13458373.52

Adalinine

37841469.08

20296914.62

Adenine

363363639.98

599606629.85

Adenine monohydrochloride hemihydrate

734633030.32

753538438.12

Adenosine

3790339960.50

3257922024.83

Adenosine-2^-monophosphate

641013541.98

748165145.33

AdipoRon

132675612.72

57622207.60

Adrenosterone

18995908.21

13341246.39

Agecorynin B

25583204.23

29188403.72

Aggreceride C

4933565.49

7569445.12

Agomelatine

26933733.05

33724269.16

Ailanthone

68272679.88

39493967.65

Ajugaciliatin I

128965018.75

36114525.45

AKBA

4233179.17

5493766.66

Ala-Asp-Pro

14924171.92

10759284.43

Alanylhydroxyproline

12235889.50

10787383.79

Alanyl-Leucine

16084505.10

36157713.65

Albiflorin

8369151.30

3090059.90

albocycline

158761753.22

126922145.85

Aldoxycarb

1484265.00

5230592.86

Aleuritic acid

59598529.98

76151497.98

Alimemazine

5133971.16

610950.21

Allantoxanamide

6312142.57

6631591.28

(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one

3825291.62

3460727.26

Allocholic acid

25319314.71

7962759.38

all-trans-4-Oxoretinoic acid

271305954.97

293558135.32

Aloe-emodin-8-O-beta-D-glucopyranoside

9998176.57

4195750.38

alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazi...

48589637.16

50124520.73

alpha-Arbutin

3799660.00

1906924.98

alpha-Asarone

32648982.24

30764312.18

alpha-D(+)Mannose 1-phosphate

16781673.07

16370755.13

alpha-D-Sedoheptulopyranose 7-phosphate

439681.01

2296029.37

alpha-Hydrojuglone-4-glucoside

170158250.58

84482933.78

alpha-Linolenic acid

847663967.30

400072221.97

alpha-Linolenoyl Ethanolamide

77449251.01

24389415.80

alpha-L-Rhamnose monohydrate

55203890.43

97413021.63

alpha-Phocaecholic acid

38871024.78

35059871.67

Alstovine

2617098.76

97452483.91

(+/-)-Altenuic acid II

17564272.82

3910959.30

Alternarienonic acid

53344664.65

48468662.63

Altrenogest

295610277.62

305662598.50

Ambroxide

10296565.17

8116155.04

Amfenac

4174382.86

2999353.06

Aminopentol

63971308.28

74493320.16

Ammelide

38385677.83

30116073.97

Ammodendrine

10350208.02

20432405.86

amprolium

8685946.57

9128608.35

(+/-) Anabasine

1497971.74

2365961.35

Anacardic Acid

7320073.75

2679216.71

Ancistroquinone

23107021.35

22673147.49

Andrachamine

2928845.58

2486952.22

Andrachcine

10505166.55

10236483.53

Andrachcinidine

48352653.53

46663335.91

Andrachcinine

6568412.18

2107975.69

Anhydrolutein I

5432247.03

32742327.61

Anhydrovitamin A1

18661096.64

15815416.77

Anisomycin

2488365.46

2497399.06

Anisylacetone

11027646.46

12081755.98

Anthranil

35706804.22

48041725.72

Anthriscifolcine A

82192566.94

12580690.33

Antibiotic DOB 41

16143891.52

8281646.50

Antibiotic WS 5995B

10705645.05

13765267.89

Antigastrin

69922671.44

60827946.65

Aplotaxene

10797286.47

18686873.75

Arachidonyl alcohol

70679935.19

41684772.75

Arborine

3234899.49

358403.74

Arbutin

16291834.21

18263314.49

Arctinol

9106123.15

24740339.49

Arg Asp Met

11421896.88

8228162.18

Arg Ile Ile

354181077.20

438143455.93

Arginine propyl ester

11276105.79

8299179.60

Argininosuccinic acid

50563712.70

58498668.76

Arginylasparagine

10186665.40

10520580.12

Arginylglycine

1878516.84

2329271.77

Arg Leu

15955008.09

2703787.95

Arg Leu Glu

13574706.36

13928652.70

Arg-OEt

218909357.63

129763102.92

Arg Phe Ala

347861631.12

336955280.05

Arg Phe Glu

64807454.17

65851131.43

Arg Phe Thr

34233420.98

25377304.19

Arg Pro Tyr

11614919.46

13881977.65

Arisugacin C

3364069.39

476489.08

Arjunetin

15865453.20

13144560.06

Arnicolide D

49036680.34

80187808.58

Arphamenin B

571155849.10

533901631.10

Artemether

55556107.08

48530827.51

Artemisinin

73418100.75

101175100.55

Artemisitene

21447502.17

27950789.76

Arterolane

708881097.38

52445472.04

asc-DeltaC8

22928443.11

12798453.06

Asn Gln Gln

71758636.28

29459406.11

Asn Thr His

41946910.15

17345373.16

Asparagine methyl ester

319678886.42

201312717.12

Asp Arg Tyr

40924451.38

42738540.69

Asp Asn His

6497291.88

6698495.18

Asperuloside

87202724.17

5637954.48

Aspidocarpine

85464271.06

28342596.24

Asp-Trp

2677462.68

1948445.29

Asulacrine

50206680.55

41143358.35

Asymmetric dimethylarginine

2247280.58

1549293.25

Auraptene

3678615.31

2359374.04

Austradiol acetate

7990542.32

3894471.18

AVOCADYNE

30885642.14

25788854.52

Axerophthene

65185381.73

35761987.38

Axitinib

16925180.55

12036561.37

Ayapin

1098438.98

1065651.96

Azetirelin

63569416.25

64757701.26

Bactobolin

179517879.20

294781127.17

Baenzigeroside B

22391998.21

25257550.47

Bakankoside

7738087.55

6797169.60

Bakkenolide A

287738733.78

290155077.38

Baldrinal

47507888.62

25551375.80

Balofloxacin

5835440.10

2090368.54

Bancroftinone

243440254.23

134677427.38

Baquiloprim

17851198.32

9328627.19

Bavachalcone

29838407.08

33183953.67

Bengamide E

195885162.67

201635454.80

Benzo(f)quinoline

1097063.41

2497191.29

Benzofuran ketone

6363957.32

5445419.80

Benzophenone

146202875.42

146044242.45

Benzoylagmatine

55474115.29

49363883.52

Benzoyl cyanide

35816609.43

23247824.49

Benzoyl L-arginine methyl ester

250322566.02

604689718.68

benzquinamide

71503952.50

2853530.72

Benzyl edta

28636393.05

20158943.46

benzyl styryl sulfone

26251659.07

17406195.96

beta-Citronellol

431585.51

375220.78

beta-D-Fructose 2-phosphate

82070373.89

39583444.85

Betaenone E

53676589.21

51150236.70

beta-fenchocamphorone

118721125.13

132596509.08

beta-Gentiobiose

525219838.07

643181974.85

beta-Hydroxy-2^,6^-dimethoxy-3^,4^-methylenedioxydihydrochal...

6618522.42

23256139.21

Betaine

137773666666.67

116679166666.67

beta-sanshool

12208459.55

12556971.97

beta-Springene

31398271.02

16556205.69

Beta-Zearalanol

83615715.62

62263247.32

Betonicine

73253627.83

71569488.53

Betulin

65964142.86

62341715.14

Betulinaldehyde

13784115.29

21642846.28

Bexarotene

25585972.64

9505709.77

Bigelovin

18229851.89

19728848.68

Bindarit

841395.99

752945.92

Biotin

2417832.97

600273.96

Biotin hydrazide

2206260.82

1040234.17

Biotin sulfone

3429843.23

1817474.09

Biotin sulfoxide

5238498.84

3289920.04

bis-(4-hydroxybenzyl)sulfide

46237838.18

21043384.75

bis-(acetyl)diaminopentane

8242563.42

9222392.11

Bistratamide E

5475870.34

2540956.66

Bistratamide H

70673980.20

26976260.14

Bixin

6420974.05

6343712.81

(-)-Blastmycinolactol

8864750.39

9787105.85

Bombykol

58796708738.83

87572905439.17

Botcineric acid

26339404.59

314619330.80

Brachystemidine B

8302272.56

7600659.49

Brachystemidine C

1643278.44

984825.27

brasilidine A

2247748.09

459724.13

Brefeldin A

81596932.78

115621780.53

Brianodin D

21258440.66

11959182.56

Britannin

22117133.80

32529426.83

Brombyin II

2206473.53

2377762.55

Broussonetine J

114564498.07

1409298.96

Broussonetine M1

7358228.60

1460856.60

Broussonin E

1161380821.00

364253031.38

Bufalin

15859316.70

1591011.79

Bullatenone

45104522.09

25629849.83

Bullatine A

41284594.77

7843683.92

Bussealin E

66169153.78

42126585.44

Busulfan

344440.53

2881046.80

Butenoyl PAF

129292830.95

146373312.97

Buturon

75025117.89

116166220.34

Butyl isobutyl phthalate

5682622764.83

5451750233.50

butyrylglycine

121905217.01

104433289.70

C16 Sphinganine

5714246.40

76595165.48

C16 Sphingosine

15822095.60

21186586.97

C17-Sphinganine

3501247212.33

3160663468.67

Caffeoylferuloylspermidine

47820887.18

15806799.03

Calceolarioside B

2714399.45

5068981.89

Callicarpenal

165689370.47

167778792.95

Caloxanthin sulfate

34784209.95

6014687.96

Calystegin B2

446643698.98

421811361.40

(-)-Camphoric acid

60235309.68

59113922.90

Canagliflozin

33118944.73

39936119.85

Caohuoside D

8117275.85

6531772.49

Caperatic acid

396492943.32

256846927.27

Capsi-amide

444632178.37

668784200.95

Capsiate

103904901.85

72242828.97

Carbimazole

2551243.58

3242869.41

Cardiobutanolide

41201363.18

28474360.29

Cardiospermin

8081195.80

4812487.78

carisoprodol

11824698.57

1329765.63

Carlinoside

124990540.83

34907769.54

Carnosic Acid

30039088.69

29344884.23

Carteolol

6707221.80

29251486.89

Carvone

22282148.53

20420088.18

Caryophyllene oxide

115259027.13

129557918.53

Cascaroside D

136648621.82

34326353.52

Casteloside B

6103770.01

2841856.43

Caudatin

16176370.98

20295715.61

Caulibugulone A

4989728.26

7498472.85

Centaureidin

5408488.46

9145012.99

Cerbinal

588005.09

1640532.88

Cerevisterol

17095646.90

18745952.89

Cernuine

14302738.68

15739468.37

Chabrolohydroxybenzoquinone C

10282086.17

1421014.01

Chaenorrhinoside

31324998.61

27910870.14

Chaulmoogric Acid

201789573.32

100970093.38

Chloridazon-desphenyl

338720.48

374052.64

Chloriolide

1526700.43

1191452.01

Chloroxuron

11146310.45

7793687.00

Chlorproethazine

1444809.16

1160054.67

Choline sulfate

655618006.95

1145927835.67

Cimifugin

12927463.62

12655419.44

Cimiracemoside D

8893372.35

3609711.14

Cinmethylin

73190356.33

54285418.72

cis-10-Heptadecenoic acid

26361293.84

30044503.04

cis-11,14-Eicosadienoic acid

144712817.98

204550553.20

cis-11-Eicosenoic acid

1526722180.50

2443550405.83

cis-13,16-Docosadienoic acid

1257273.72

4895263.39

cis-5-Hydroxypipecolic acid

97646854.14

88321261.30

cis-7,10,13,16,19-Docosapentaenoic acid

16076605.87

13014386.01

cis-Acetylacrylate

176149484.67

170259343.57

cis-Hexadec-11-en-7,9-diynoic acid

10106029.06

12407853.83

cis-Stilbene oxide

1612295.59

1542519.55

Cistanoside F

7836976.63

8445741.63

Citicoline

77633137.17

77854610.86

Citraconic acid

384237006.97

367732575.07

Citrinalin B

106365609.13

42905787.38

Citrinin

118915521.10

69096312.59

Civetol

8227537.49

6826064.69

(-)-Clathrotropine

3422491.14

4521411.98

Clavatoic acid

37505602.84

35976895.14

Cleomiscosin A

21552371.38

30193337.08

Climbazol

42954562.27

44611087.82

Clotrimazole

19378881.04

11232514.01

Cnidioside A

841202056.95

364415828.25

Codlemone

4201557.36

4862178.60

Codonopsinol

31393572.67

56233580.77

colistin

263913416.95

209832708.07

Comazaphilone C

512266717.73

187002230.13

Comazaphilone F

107492351.32

52601962.81

Combretastatin A4

95074844.01

81450069.28

Complanatuside

68401812.11

10091820.84

Confluentin

58292584.90

1360819.70

Coniferaldehyde

30673517.66

40346183.66

Coniferin

11805144.75

14836601.29

Coniochaeton A

26303772.69

20272204.22

Corallopyronin B

79611814.85

60633044.32

Cornigerone

28894779.08

33576631.24

Coronaridine

2276472.70

1605598.90

Corrole

16239699.38

693422.40

cotinine-glucuronide

38188031.25

38726651.63

CP-863187

5502953.52

5468104.83

Creatine ethyl ester

48553414.86

26724277.51

Crenulatin

82665563.48

95471056.81

Crenulatoside C

6917945.67

4042297.66

Crepenynic acid

200834199.58

66093773.35

Crocetin

48044148.92

56929913.66

Croomine

9504562.63

4251294.67

Crotafuran A

3066190.02

672233.25

Cryptocyanin

3931663.14

2145028.22

Cryptotanshinone

27706038.58

13885160.61

cspyrone B1

2778811.93

2933435.24

Cudraflavanone B

43283088.41

16854233.86

Cumene

387670413.87

432513846.48

Curdione

47520467.16

48804797.32

CV1808

123905031.98

76706235.06

Cyclic apt

6984441.35

9282405.95

Cyclic N-Acetyl-D-mannosamine

104621817.87

100969254.64

Cyclo(4-hydroxy-R-Pro-S-Leu)

20877558.61

16462007.15

Cyclocreatine

44439416.01

19659946.23

Cycloguanil

58144332.92

48301140.89

Cyclo(his-pro)

16130718.44

9761614.90

Cyclo-(Leu-Tyr)

16815251.66

23448277.93

Cyclo(L-Phe-L-Pro)

2512651.05

1229610.51

Cyclomaltodextrin

116107392.45

130487077.38

Cycloshermilamine D

122689760.37

245580889.48

Cynaropicrin

23802134.31

31641343.05

Cyperotundone

74114978.29

78392537.41

Cysteinyl-Glutamate

3232749.79

3561999.16

Cysteinylglycine

92081800.55

111107138.61

Cysteinyl-Histidine

28148299.54

20674524.01

Cystine

2130886.35

1977963.08

Cytidine

5492035.16

6301213.82

Cytisin

87446342.12

128833092.12

Cytochalasin Z5

23357131.70

23039907.83

Cytosporin C

53994561.89

52586686.91

D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose

216390600.45

74195380.27

D-5-phenylhydantoin

3216402.67

2608676.91

DAH-3-Keto-4-en

4437803.49

5122179.37

D-alpha-Tocopherol acetate

7758742.64

5285949.28

Darutoside

33092282.02

23325513.08

D-Citrulline

35666662.79

44446893.04

Deca-5,8-dienedioylcarnitine

14147142.85

16935394.68

Decahydro-2-naphthoic acid

53580673.70

37907460.05

Decarbamoylneosaxitoxin

36626650.35

33136783.67

Decursin

3059403.28

1872411.50

Decursinol

3926694.74

60919330.96

DEHP

2543361225.67

2138782924.83

Dehydroabietamide

13421773.85

6624800.87

Dehydroascorbic acid

23441662.79

21858232.69

Dehydrocorydaline

1673060.17

1050220.42

Dehydrodiisoeugenol

7324647.15

10529786.99

Dehydroevodiamine

42620845.50

18134323.31

Dehydrooreadone

14799233.65

16945151.66

Dehydropachyrrhizone

17019330.20

12843038.92

Dehydrowarfarin

1932968.05

2170116.29

Dehypoxanthine futalosine

33606588.43

37887984.03

Delta(1,7)-dafachronic acid

57753466.42

51468643.59

delta-Decalactone

27487088.05

31741234.77

delta-Guanidinovaleric acid

39586383.13

32318514.44

Demethoxycurcumin

52040246.22

14997375.87

Demethoxyencecalin

8388905.37

9438782.97

Dendrobine

1177570.86

1651201.56

Denticulatin B

51662218.04

33776054.17

Deoxycorticosterone acetate

62815732.68

2195126.00

Dercitamide

762510530.85

575523636.00

D-Erythro-dihydrosphingosine

190458810.73

564076301.23

D-erythro-Sphingosine C-20

1482383.17

2704065.27

Desmethyldiaportinol

86997687.41

87304605.52

Desmodin

84492791.14

29707685.58

Desoxyrhaponticin

67137623.25

38800431.15

D-Fructofuranose 1,2^:2,3^-dianhydride

717495294.52

761622349.02

D-Fructose

10244005.55

15747607.14

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

10803607.45

27503538.58

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

173421927.67

207709376.87

DG(5-iso PGF2VI/16:0/0:0)

148227539.52

473447028.27

DG(a-13:0/i-17:0/0:0)

10623798.96

9430999.12

DHP-mOx-NS-DHB

9016485.53

6353943.00

Diacetoxy-6-gingerdiol

122883493.83

100640435.35

Diacylglycerol(16:1/18:2)

76994793.09

124383039.02

Dianthoside

211323856.67

203381969.05

Diaportinol

274346241.90

365118344.20

Diaziquone

4206271.19

5275695.74

Dibutyl adipate

11413221.87

11510958.46

Dibutyl maleate

12419976.94

128100179.32

Dibutyl sulfosuccinate

9097312.85

8504168.23

Dictamnoside L

9523493.54

4962486.68

Dicumarol

8730409.37

4581931.51

Didmolamide B

31689124.00

17331301.33

Diethylhexyl adipate

143276184.82

157856649.57

Diethylpropion

1077477.03

1872266.21

Diffractaic acid

75108268.73

51866508.99

Dihydralazine

42612935.17

53627475.11

Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine

43844579.25

21964798.86

(+/-)-Dihydroactinidiolide

171349353.38

149866804.15

Dihydroartemisinin

143988790.10

123408487.97

Dihydronaringenin-O-sulphate

11048461.67

37141982.89

Dihydronortoxiferine I

4277226.75

3563811.90

Dihydrosinapyl alcohol

138007661.27

203696517.55

Dihydrotanshinone I

67967186.93

35983473.13

Diisopropyl sulfide

7425747998.83

6517136924.17

Dimethyl Citric acid

2560048.41

2049322.75

Dimethylfraxetin

20209302.44

23571490.92

Dimethylglycine

20966447.33

10826653.33

Dimethyl pimelimidate

13752966.99

45870495.27

Dinex

8689520.24

4493991.80

Dinocton 6

30206193.92

38582183.67

Dioctyl Phthalate

73980574.93

81276981.14

Diosgenin

15576218.69

9548132.76

Diosmetin

5351095.66

7510533.23

Dipeptide 2

10280456.75

4854654.91

Diprotin A

94544131.90

67184786.64

Diptocarpidine

60533060.08

80494228.43

Discadenine

71231493.58

130600646.12

D,L-Buthionine

16089872.25

10811473.15

DL-Leucyl-DL-phenylalanine

23675763.96

11391317.77

D-Mannoheptulose

30631785.02

32974929.19

D-Mannosamine

51643923.88

41182782.83

DMPO

384584420.30

431010816.28

DODECA-2(E),4(E)-DIENOIC ACID ISOBUTYLAMIDE

2152360.57

3025425.47

Dodecanamide

1300388780.33

1315292910.50

Dodecanedioic acid

38724707.09

38925263.42

Dodecanoic acid

14819578.96

20584504.98

Dopexamine

157596676.50

3751854.91

D-(-)-Quinic acid

17498338.13

21894623.50

Drosopterin

35397991.66

30947596.81

D-(-)-salicin

13831995.41

7496820.73

Dulciol D

48268206.14

21827363.64

Dysinosin D

11296967898.17

5900822693.00

(E)-2-(Methoxycarbonylmethyl)butenedioate

4338937.91

3305908.09

(E)-5-O-Cinnamoylquinic acid

3678416.49

2449661.80

Ecgonine methyl ester

60009917.80

41895315.27

(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one

11272415.63

10434730.72

(E,E)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic a...

6241422.47

4619824.09

Eicosa-5,8,11,14-tetraenoic acid 1,3-dihydroxypropan-2-yl es...

167898575.23

123180194.90

Eicosanedioic acid

22792163.76

11326074.00

Eicosapentaenoic acid

184048308.87

161233013.20

Eicosapentaenoic acid methyl ester

3518884.38

5145136.03

Eletriptan

2205620.31

951629.23

Eleutheroside C

17242669.46

19464174.04

Ellipticine

3104475.32

3434220.60

(E)-Methyl-4-hydroxycinnamate

26140049.91

31840636.35

Enalaprilat

3768385.01

412509.51

Enflurane

3167851.72

3257374.95

Enzastaurin

147563187.38

100780843.54

(E)-Oct-2-enoic acid

11517487.93

23849774.41

Epiandrosterone

9003883.79

8172614.47

(+)-Epiexcelsin

53004778.30

35283517.73

Epigallocatechin 5,3^,5^-trimethyl ether 3-O-gallate

14904384.13

10293961.05

EPIISOPILOTURINE

3183950.90

3168637.84

Epilumaflavanone A

20782125.72

15811440.49

(+)-Epilupinine N-oxide acetate ester

5355968.40

3516717.59

Episyringaresinol 4^-O-beta-D-glncopyranoside

100364327.72

42688639.60

Epoxymicheliolide

53736712.10

43276469.84

EQUILIN

4185108.62

1544484.27

Erdafitinib

74564628.68

55151103.14

Eremopetasitenin B2

19019833.98

19803097.17

Ergolide

28304302.60

36381695.66

Ergosta-4,6,8(14),22-tetraen-3-one

9223262.15

4962761.80

Ergosterol

15671644.89

91430194.92

Ergothioneine

54940206.83

75720934.78

Eriodictyol-7-O-glucoside

723605.99

1590021.78

Erlangerin A

17491756.02

7935190.89

Erucic acid

1561730.25

3508600.71

Erythrophloin D

7399644.73

552969.38

Esculetin

514969.27

670115.70

Esculin

396715122.30

288191337.10

Esprocarb

3936900.39

6303753.72

Estradiol-17alpha

97906455.62

54484660.96

Estrane

5640736972.33

6336222129.00

(Ethoxymethyl)benzene

259871689.47

282769727.88

Ethyl 3-(methylthio)propanoate

14353576.95

7045405.56

ethyl-4-hydroxymethyl- 3(2H)-Furanone

14057164.92

14032193.75

Ethyl 5-(methylthio)valerate

33061142.04

29249951.41

Ethyl cinnamate

10184651.12

12275933.66

Ethyl (ethylthio)methyl disulfide

5325281.68

5909567.04

Ethyl gallate 4-glucuronide

3543604.88

1619320.75

Ethyl isopropyl disulfide

81602831.87

29893084.20

Ethyl linoleate

6474414.17

5088478.23

Ethylmalonic acid

9618611.72

9687730.54

Ethyl nonanoate

14169494.41

19700250.91

Ethyl-p-methoxyhydrocinnamate

13625186.30

15811773.26

Ethyl propyl disulfide

15448559.73

3635969.05

Etidocaine

10315792.25

12796310.55

Etimizol

3751002.53

1835634.30

Euoniside

12272525.07

2856125.30

Eupalinolide O

95022887.93

68431693.11

Euparin

5258106.11

6896243.80

eupomatenoid 5

65790103.20

63047289.73

Exemestane

1826569.26

2375882.43

(E/Z)-Ginkgolic acid C17:2

20295693.09

3315360.93

(E/Z)-Polydatin

49789200.84

60430264.22

Fenethylline

8843103.56

8814456.28

Fenitropan

16454362.78

6830497.56

Fenoksan

1273122.69

1138207.42

FENSPIRIDE

62978089.21

89524780.73

Fentin

6554126.51

8029980.77

feruloylagmatine

493747719.70

420433460.03

Feruloylputrescine

44612359.92

52790903.77

Ferutinin

3288357.68

2068695.83

Fevipiprant

7043123.37

4930088.06

Fexaramine

82525085.08

73981922.79

Fiscalin B_130006

131419356.97

98940982.72

Flabelline

2677328.95

4156046.48

Flavine mononucleotide (FMN)

5591174.82

3629286.57

Flavokawain A

2652961.87

4261159.99

Fluasterone

31499442.51

34049709.96

Flucytosine

4581191.96

3520357.06

Fluoroquinolone carboxylic

2216591.60

1872516.20

fluoxymesterone

16142544.85

1765300.13

Flustramine F

18190201.71

15697466.77

Flustraminol A

26069893.95

22817813.24

Flutamide

1461391.71

646237.03

Fluvastatin

3699150.84

1453378.71

Formylfusarochromanone

4909400.26

3952145.16

Forsythoside E

32858471.28

25246570.89

Fortuneanoside K

18140726.46

9118779.00

FR140423

23866633.56

6915031.43

Fraxidin

11538267.54

17163969.05

Fraxinellone

7026901.71

4489424.09

Fraxinol

7245773.55

6705391.46

Fructosyl-lysine

16502655.37

3645462.76

Fulvine

1089207.85

2162759.82

Fumagillol

27373773.62

32232766.33

Fumarycarnitine

4941143.23

3221909.76

Fumifungin

9988761.65

7465753.13

Galacturonic acid

3787055.71

4320815.60

Gama-glutamylalanine

14808491.43

10816298.49

Gamma-Glu-Leu

89328389.94

44892118.52

gamma-Glutamyl-2-aminobutyric acid

19641611.17

19295186.15

gamma-Glutamylaspartic acid

16141489.81

2808534.91

gamma-Glutamylcysteinylserine

15167430.57

26032286.28

gamma-glutamylglutamate

21414014.01

9414085.98

gamma-Glutamyl-methionine

8694561.06

3107122.43

gamma-Glutamylphenylalanine

53804116.10

30464917.61

gamma-Glutamyltyrosine

11414492.69

8977889.79

gamma-L-Glutamyl-L-pipecolic acid

28432761.52

25206581.13

gamma-Linolenic acid

223109974.98

199475960.05

Ganoderic acid G

113762869.92

48182562.55

Garcimangosone D

56190718.84

23980867.14

Garcinielliptone FA

24360803.10

36356664.95

Garcinone C

111304339.57

102158769.23

Gaultherin

20094042.58

14747771.16

GEIR-1

237108048.08

149350768.33

Gemixanthone A

68293529.55

29108716.80

Genipin

101261690.05

114481537.75

Genipin 1-beta-D-gentiobioside

14643449.68

9737349.99

Geniposide

85638685.10

57791503.61

Geranylgeraniol

23989742.27

32566702.39

Gigantol

3004080.44

3611260.42

Gingerenone A

2726331.94

4945884.73

Ginkgolide C

36928348.02

7290795.94

Gitogenin

19658882.27

23603243.23

Gliocladic acid_130132

157790679.57

199275688.30

Gliocladinin A

85468336.14

24317439.12

Gliovictin

24108023.40

25097387.37

globosumone C

7358199.10

8740426.56

Glucosamine 6-sulfate

31378851.70

27627641.27

Glucovanillin

104450269.17

74178629.47

Glu-Pro

16862008.67

10979877.18

Glutamine

43643229.82

17414249.40

Glutaminyltryptophan

11654294.69

3662017.24

Glutamylglycine

9091785.99

5331387.22

Glutaric acid

5935348.40

6040022.83

Glutathione

2868641381.83

4069570087.67

Gly Arg Asp

20633440.56

17591118.84

Glycerylmonooleate

129309713.35

12262127.39

Glycidyl stearate

1169790257.17

2485883218.17

Glycinamide, glycyl-L-prolyl-

2974938.44

3364735.39

Glycosmisic Acid

39818789.66

25409822.97

Glycylglycine

1380573475.17

1782404568.83

Glycyl-Histidine

2841666.32

3382893.05

Glycylleucine

16022375.93

21751451.40

Glycylproline

27666778.02

20993003.05

Glycylprolylarginine

25495440.57

16911335.51

Glycyl-Tyrosine

9036542.99

5970968.65

Glycyrrhisoflavone

387134.46

816928.65

Gly-L-Phe

18137453.98

8562041.32

Gly Phe Val

1482137.83

1821599.17

Goniothalesdiol A

157663190.12

151167440.35

Goshonoside F2

84578653.59

75939249.11

Grevilloside B

110093262.06

74521668.62

Griffithine

31652051.49

27334568.08

Guaijaverin

13043781.39

684426.32

Guanidinobutyric acid methyl ester

65807832.48

54851097.58

Guanidoacetic acid

2079774370.95

1001771348.38

Guanine

447580167.98

284024703.97

Guvacine

67423533.11

73969510.38

Gymnasterone C

18706315.08

16168202.09

Gymnasterone D

5865068.44

4223889.55

Gymnospermin

16115824.94

22435165.41

H-ALA-ALA-PRO-OH

11569520.77

9648521.15

Halaminol C

3543202043.33

3897675253.17

Hapalindole G

14265043.45

5960866.03

Haplanthin

8898284.68

10722773.68

Haplomyrtin

24611118.31

18427741.93

H-Arg-Lys-OH

7983976.33

8176764.25

Harmane

2941730.91

1235691.20

Harmol

5659648.19

4021519.46

Harzianopyridone

6859325.47

6433293.48

Hecogenin acetate

66845964.64

35174544.88

Hedaol B

406734124.28

121724073.27

Heitziamide B

6298577.14

803016.18

Helicin

8755588.40

12602870.66

Heptadecatrienal

17220533.46

7723813.34

Heptaethylene glycol

3949232.47

4118338.70

Herbimycin B

765256696.45

402023778.48

Hesperidin

28680134.82

8591998.45

Hexadecanedioic acid

463723143.65

476152997.32

Hexadecanoylpyrrolidine

30546909343.67

48511648634.17

Hexadecasphinganine

4539045685.17

5979837469.17

Hexaethylene glycol

2196058.18

4625184.93

HIERACIN

7458263.73

519597.72

H-Ile-Gln-OH

19503991.34

6287882.24

Himbacine

14750002.06

3769258.09

His Ala Gln

15600437.25

13186875.25

His Asn Gly

85120861.86

63763580.08

His Asn Thr

8802001.36

5523825.30

His Gln Gly

62504489.54

52421605.56

His Glu Asn

79960708.04

40855767.83

His His

70131860.61

69631451.38

His Ile Asn

105708495.73

120031157.43

His Lys Leu

1935065329.17

3044543278.50

His Phe

315280844.47

15074580.17

Hispolon

13341295.67

17208552.97

His Pro Asn

41561754.32

40375080.84

His Thr Gln

38596947.35

38452371.88

His Thr Lys

59620551.22

41836790.70

Histidylleucine

9463745.07

3781223.15

His-Trp

7025561.09

4672148.70

His Tyr Arg

4660223.14

939593.03

His Val Asn

31766287.20

40469035.36

H-Leu-Asn-OH

18740849.36

9835007.52

Holadysenterine

4964224.67

399274.61

Homarine

325471657.65

465825396.42

Homaxisterol B2

34037157.31

42187434.46

homoarginine

117591762.02

82323713.70

Homostachydrine

40767963.71

33610515.70

H-PRO-ALA-OH

239949655.92

207343905.25

H-Thr-Leu-OH

29072545.11

11101472.31

H-TYR-ILE-OH

22598140.08

18767012.95

Humulene-alpha

170202561.95

198280483.33

Huperzine G

1137514.29

1727241.04

H-Val-Tyr-OH

51226603.82

16675336.06

Hyacinthacine A2

38876897.65

32055437.49

Hyacinthacine C1

23905404.83

16615141.52

Hydrocinchonine

44945583.94

882099.89

hydroquinidine

9327440.19

5675722.66

Hydroxychloroquine

108772470.16

107960545.96

(-)-Hydroxydihydrobovolide

11043302.64

15743384.83

Hydroxyectoine

11242604.34

31241889.49

Hydroxynalidixic acid

2685020.67

1378863.31

Hydroxyprolyl-Glutamate

17779982.00

6118157.34

Hydroxyprolyl-Isoleucine

5062242.72

1349393.12

Hygric acid

193731199.83

145446077.88

Hygromycin A

4273718.09

1182731.36

Hymenoflorin

131012769.23

120586027.12

Hypochoeroside E

6997479.18

7319967.69

Hypusine

10786225.52

4360636.54

icosasphinganine

145161203.03

249356957.23

Ile Ile

37440864.81

13045542.16

Ile Thr Ile

132655315.35

146109073.85

Imazamethabenz-methyl

90574406.21

85529884.36

Imidazol-1-yl-acetic acid

54684716.83

30308951.66

Imigliptin

2148253.80

2376191.62

Incadronic acid

1855524.42

1649056.20

Incensole

358011384.45

240851452.60

Indane

709613732.85

648451226.78

Indicanine C

16129487.21

7219442.41

Indole

6733333.36

2061365.80

Indole-3-acetaldoxime

42520246.45

28530756.20

Indole-3-carbinol

489504821.73

441559502.90

Indole-3-carboxylic acid

62178864.53

37802048.48

Indoleacrylic acid

957090324.43

576719650.02

Indolelactic acid

24382442824.83

15074007890.17

Indospicine

5075058.34

4575015.38

Inolitazone

13256911.94

9965058.73

Inosine-5^-carboxylate

51721635.04

71681158.50

Ipriflavone

27491870.24

13605327.16

Irbesartan

10339610.94

9903993.22

Irisoid D

46150214.93

35652297.51

Irisoquin

5624169.02

6542026.46

(+)-Isoaminobisabolenol a

249774015.23

298565892.03

Isoamyl laurate

29225731.04

34431320.48

Isobiflorin

11148476.93

8594832.53

Isoboonein

4521674.22

6431260.17

Isocitrate

942466736.98

671380530.03

Isocurcumenol

40865485.23

46795109.66

Isocycloheximide

582890.89

295669.44

Isoelemicin

15988746.27

14546040.07

ISOEUGENITOL

112944944.22

160524574.57

Isoeugenol acetate

2881982.31

3673033.10

Isofebrifugine

19339350.94

9955383.01

Isoferulaldehyde

205099999.85

134808456.58

Isoleucylglutamate

13449444.40

2880454.77

Isomucronulatol

43957191.44

36285520.30

Isopentenyl pyrophosphate

30222306.87

37230392.01

Isopropyl ferulate

699367568.57

728262551.95

Isoputreanine

62889503.99

198811671.27

Isorhamnetin

24117289.55

19362563.37

isorhamnetin 3-rutinoside-7-glucoside

33059676.16

18536637.76

Isosakuranetin

30409688.81

25396716.70

Isosakuranin

10450887.24

25051244.80

Isosaponarin

87653972.59

37349247.04

Isoscoparin 4^-O-glucoside

155348812.47

23798495.39

Isosilychristin

11194942.92

4650563.53

Isotrinervidiol

266468565.17

228089200.02

(+)-Ixerin H

66144084.01

41012094.05

Izumiphenazine A

7341468.35

5294026.07

JACAGLABROSIDE B

51677253.80

39694146.66

Jaceosidin

1904352.04

4052562.47

Jasmone

119979226.93

132953970.07

Jayantinin

53493758.75

26423548.09

Juglone

9230238.82

12099862.88

Juglone glucoside

6326912.59

2255767.78

julocrotine

8323513.51

2473878.34

Juncutol

14148929.53

442681.92

Justicidin E

16868800.62

21023439.73

Justicidin G

10102259.26

4613632.91

Kadsulignan L

367167.06

346776.86

Kadsuphilol G

33255193.20

9097111.25

Kadsuralignan B

5905999.06

3275528.06

Kainic acid

27329331.45

20124973.20

Kankanoside C

101731072.52

96813581.01

Kaurane

515859715.23

837928228.33

Kermadecin E

118471636.18

6703983.33

Kermadecin H

2252654.66

2614781.76

Ketotifen

4766580.42

4965242.06

Keyakinin B

25952760.95

854654.40

Kifunensine

5881455.94

5296600.17

Kinabalurine G

9553484.37

12406803.17

Kirenol

227694925.55

182090347.33

Koaburside

16583154.13

15602834.13

Kojic acid

224927427.57

241230771.37

Kopsilongine

3329925.74

2221212.76

Kopsiloscine I

2015994.41

133956386.98

Kynurenic acid

88421962.19

98217573.78

L-2-Aminoethyl seryl phosphate

3973766.70

2020978.69

Lagochilin

326523300.70

560378060.25

L-Alanyl-L-proline

29250030.35

16383814.82

L-Allothreonine

156506267.15

141947413.30

Lanyuamide III

33138997.98

35125021.46

L-(+)-Arabinose

11197449.39

16828493.60

Larreagenin A

23861096.84

26729691.38

Lauramine oxide

245883089.82

333284755.77

Lawsone

14155925.65

17296833.46

L-Canavanine

2865679.27

1628447.40

L-Carnitine

410398612.82

539079847.77

L-Citramalic acid

119877594.66

28134561.54

L-Cysteinesulfinic acid

1597723.42

2324150.70

Lemborexant

64551246.35

41521881.27

Lemnabourside

56383350.81

20391968.36

Lemnaloside D

88777298.33

97400287.02

Lepadiformine B

50483261.43

49833022.41

Lepidimoide

9679268.33

15146990.98

Leucine methyl ester

180679442.83

98379123.51

Leucoside

26104600.57

10676639.81

Leucyl-4-hydroxyproline

7622497.68

7887117.88

Leucyl-Alanine

31226067.59

12601349.14

Leuhistin

5936766.18

1609518.10

Leupeptin

441304.76

304942.32

Leupeptin analogue LVR

25938174.57

5189986.70

Leu-Val-Gly

6704255.56

2025825.56

L-Furosine

38771191.03

30569709.25

L-Glutamic acid 5-benzyl ester

4549848.57

4901686.20

L-Histidine trimethylbetaine

68358608.45

110912635.28

Licochalcone B

4048729.68

216133.82

Licoflavone B

8463786.87

7670184.96

Licoisoflavone B

19968365.93

23208651.75

Liensinine

399354002.30

286542167.70

Linalyl acetate

20726773.14

31329943.71

Linamarin

125702468.28

47986514.53

Linarin

70067861.71

17221973.94

Linderalactone

598474.03

14176231.37

Linoleamide MEA

777938494.67

360043763.58

Linoleic acid amide

67226223779.00

77504304636.67

Lipoyllysine

56889582.18

57762175.66

L-isoleucyl-L-proline

386702294.70

237344410.88

L-Kynurenine

4791153.59

3118612.63

L-Methionine

452555811.55

189090872.00

L-N-(1H-Indol-3-ylacetyl)aspartic acid

6501616.95

9684767.34

L-Norleucine

2759921669.17

1878102027.00

Lobeglitazone

1687748.92

1352399.94

Lobetyolin

663712.38

764135.34

Loganic acid

58992420.80

18418046.53

Loganin

69593856.64

40639882.30

Loliolide

201990961.57

290150726.57

Longiflorone

2908778.21

2365142.64

L-Ornithine

14378232.53

12462031.96

Losmapimod

25295557.94

23639870.07

Lotamilast

7565103.09

6235262.88

Lotaustralin

10934619.94

10328222.69

Louisfieserone B

51881951.91

41610002.48

Lovastatin

28340948.32

9350089.76

L-Phenylalanine

4403383567.33

3525031310.83

L-phenylalanyl-L-proline

101527749.37

66604622.59

L-Pipecolic acid

2332142.73

2188293.61

L-Proline, 1-(1-L-leucyl-L-prolyl)-

17281927.86

9574736.31

L-saccharopine

12444531.90

18033098.92

L-SelenoMethionine

1844756.57

735822.61

L-Theanine

8186074.35

22266388.22

Lucidamine A

25625620.76

14699092.48

Lupenone

25663884.84

21642824.02

Luseogliflozin

29299208.09

20820260.05

Luteolin 5-O-glucoside

14960308.81

1993567.88

Lycocernuine N-oxide

836642.23

820261.69

Lycoposerramine A

10345368.93

10768143.17

Lys His Gly

70676263.94

83175781.00

Lys Leu

7568292.81

1292457.74

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

110837859.12

69642469.82

Lyso-PAF C-16

27949415.23

25863440.68

LysoPA(i-20:0/0:0)

167885036.98

197728041.08

LysoPC(14:0/0:0)

147633119.72

145468076.90

LysoPC(15:0/0:0)

211869155.37

171972004.10

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

248256539.30

154235300.27

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

1630577829.17

1260573162.33

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

22838608622.00

16608725237.00

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

1676677650.83

1252069444.50

LysoPC(20:2)

56362675.54

41473504.91

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

34431597.22

32922496.06

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

13502753.02

10909373.98

LysoPC(P-16:0/0:0)

1466905.36

8619258.77

LysoPE(0:0/16:0)

476934551.95

351012110.93

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

122059976.73

87862585.65

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

35973431.55

38678804.18

LysoPE(18:2w6/0:0)

2143098957.67

1606065319.67

Lysyltryptophan

5493473.87

1475342.79

Maggiemycin

31145548.76

17497722.93

Magnolioside

1093925.09

3068600.85

Magnoshinin

3618423640.67

3247461858.33

Malabaricone C

3034480.42

4292396.19

Maltotetraose

638393771.15

635655302.20

Maltotriose

56477612.19

37887366.95

Malvone A

16612468.01

8370264.87

Manglieside B

115394503.17

42385283.98

Mansorin B

63553069.11

49682281.55

Maoecrystal I

3822636.05

4549952.30

Maohuoside A

32379799.33

7788560.12

Matairesinol

14760585.89

6433574.64

Maxima isoflavone G

16255581.83

5665529.56

m-Coumaric acid

250619843.85

234858671.80

Mearsine

1470708.76

1985517.06

MEDIORESINOL

51491860.37

17338458.13

Meisoindigo

3900394.27

7521957.82

Melamine

29962278.94

34033953.96

Melatonine

605472.75

5174227.89

Melezitose

3497074822.67

2508400070.50

Melibiose

2832111375.00

2255633080.67

Melophlin D

1956638.48

2064813.54

Melperon

1259174.92

2006411.10

Melphalan

5776562.76

1809180.57

Memantine

5035877.06

2337628.58

Menthyl acetate

224752799.00

197932597.30

meso-Dihydroguaiaretic acid

14450187.61

9104675.27

Mespirenone

113235958.98

70495321.02

Metachromin U

48973825.50

38090123.69

Methamphetamine

41700855.47

44988592.75

Methiocarb-sulfoxide

6554596.81

4584399.32

Methionyl-Histidine

5544388.97

2701749.68

Methoxypolysignine

26030319.91

41762769.50

methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropan...

36973760.36

40316929.69

methyl 3,5-di-O-caffeoyl quinate

27755584.16

15095947.73

Methyl 5-hydroxy-4-oxopentanoate

36113118.09

51826047.13

Methyl cholate

20226513.53

20322458.67

Methyl deacetylasperulosidate

38204427.02

29185346.42

Methyl dihydrojasmonate

36233486.81

36852376.76

Methyldopa

10331646.95

5327602.54

Methyl Eugenol

109080933.08

138717451.58

Methylglutaric acid

22231512.81

32361108.24

Methyl heptadecanoate

13506754.10

33173143.95

Methyl linoleate

35785115.94

28364068.13

Methylophiopogonanone B

19342336.93

14867023.70

Methylophiopogonone A

1184561.73

3334993.15

Methyl palmitate

93387623.66

93510996.31

Methyl palmitoleate

34011772.81

33246262.45

Methyl pentyl disulfide

27095414.03

10554571.12

Methyl phenyl sulfide

92369511.67

74683519.94

Methyl p-tert-butylphenylacetate

15614843.27

14242105.94

MF-EA 705alpha

104363693.86

119576519.68

MG(0:0/10:0/0:0)

4335110.59

5030061.27

MG(0:0/14:1(9Z)/0:0)

20439782.52

16905370.17

MG(0:0/15:0/0:0)

108221383.05

57080763.07

MG(0:0/18:0/0:0)

30150782643.17

54913166916.83

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

6606265381.00

1892877876.33

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

4292682112.83

725487686.83

MG(0:0/19:0/0:0)

3646052.58

4840711.05

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

89758715.08

52854800.25

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

8062777.38

1146008.46

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

40256552.29

12880682.48

MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)

50098725.16

44135593.18

MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)

149679686.62

116722834.60

MG(0:0/i-13:0/0:0)

187261932.10

172251014.12

MG(0:0/i-15:0/0:0)

27095100.15

26025296.49

MG(0:0/i-16:0/0:0)

13607829.10

8710734.97

MG(0:0/i-17:0/0:0)

308111834.12

198899179.57

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

20410993.49

3627524.31

MG(i-18:0/0:0/0:0)

59562890.31

100693013.88

Microhelenin E

660309942.15

84408909.48

Milameline

5544880.25

14759241.84

MITOMYCIN C

37762752.88

26915149.34

Mompain

9806603.12

13079911.77

Monamidocin

364786100.15

151041964.40

Monobutyl phthalate

349377894.07

364093786.83

Monoolein

123298924.05

34497593.11

Montanol

426728950.15

73300688.58

Moracin C

8522234.17

910128.15

Moracin M

639094.58

2065122.06

Moracin P

17645468.97

6624985.94

MTHPA

13897411.24

14904713.92

Mulberroside A

25980013.39

8658222.13

Mulberroside F

6861734.56

2481528.00

Musacin D

53053423.86

63158812.36

Muscarine

481818842.93

406990133.68

Musk ambrette

2405894.74

2362813.49

Mussaenoside

3915499.23

3425817.25

Mycaleoxime

172140332.42

7934875.66

Myristamine Oxide

13640359.54

26325597.67

Myxopyronin A

19175890.49

23132349.41

Myxopyronin B

78130724.30

77105636.04

N1-(2-Hydroxyethyl)flurazepam

38928099.74

35773749.72

N1-Acetylspermidine

10257102.88

8172537.33

N-(1-Deoxy-1-fructosyl)histidine

8385406.19

413702.32

N-(1-Deoxy-1-fructosyl)leucine

337613307.02

48111455.14

N-(1-Deoxy-1-fructosyl)serine

8357647.38

3761837.88

N-(1-Deoxy-1-fructosyl)valine

86116925.59

25097783.68

N1-methyladenosine

11231775.69

5133966.64

N1,N10-Diferuloylspermidine

135369755.23

23091174.59

N,2,3-Trimethyl-2-(1-methylethyl)butanamide

753131008.05

606572162.08

N2-Acetyl-L-aminoadipate semialdehyde

89885963.00

65771200.35

N2-Fructopyranosylarginine

11238371.60

3005616.31

N-(2-Furoyl)glycine

86376220.11

51881690.94

N-(2-Hydroxyethyl)nicotinamide

1257456.14

1687806.01

N(2),N(2),N(4),N(6)-Tetramethylmelamine

5390121.44

9822599.05

N-(2-phenylethyl)-Indomethacin amide

36471525.23

40587879.49

N2-Succinyl-L-arginine

6504396.99

2104072.78

N-[3-(Dimethylamino)propyl]dodecanamide

5025687.43

10242883.68

N-(3-Oxooctanoyl)-DL-homoserine lactone

6943175.27

394997.80

N-(3-Oxotetradecanoyl)-DL-homoserine lactone

149700894.87

93797182.99

N4-Acetylsulfadimethoxine

116952124.50

105082166.91

N-(4-Aminobenzoyl)-L-glutamic acid

94116243.64

112081647.12

N(5)-[1(S)-1-carboxyethyl]-L-ornithine

222867738.27

195823584.02

N5-Methyl-L-glutamine

43676862.08

27166309.43

N(6)-glycyl-L-lysine

3989697.32

2301836.23

N6-Methyl-lysine

5278732.33

6148701.16

N6,N6-Dimethyladenosine

27160784.25

16123558.67

N(6),O(2)-Dimethyladenosine

1498820.51

1662906.63

N-(9-oxodecyl)acetamide

35139418.72

31114383.88

N-Acetylalliin

1973557.30

728524.57

N-Acetylaspidospermidine

346738323.62

243135781.10

N-Acetyl-D-mannosaminolactone

103227667.93

58095318.75

N-Acetylgalactosamine 4-sulphate

12465680.41

13619417.28

N-Acetyl-leucyl-leucine

4181108.74

459147.40

N-Acetyl-L-glutamate 5-semialdehyde

61841398.74

46726056.60

N-Acetyl-L-tyrosine

19640141.99

31874687.65

N-Acetylmuramate

48461389.40

26897118.21

N-ACETYLNEURAMINATE

43126086.64

16960784.78

N-Acetylornithine

80396480.50

31317037.08

N-Acetylproline

57384879.69

57912531.66

N-Acetylsphinganine

2096734.56

4118301.04

N-Alpha-acetyllysine

757685209.67

273406942.45

Naphthgeranin E

30132041.48

25043539.52

Nardosinone

6623680.27

10106439.87

N-Benzoyl-(2R,3S)-3-phenylisoserine

1980026.63

2129962.54

N-butylbenzenesulphonamide

19491273.80

21529472.74

N-Caffeoyl O-methyltyramine

14979963.36

9852869.41

N-Carbamylglutamate

2344168.21

2887596.16

N-Cyclohexanecarbonyltetradecylamine

9311323.96

19728092.98

N-decanoyl-L-Homoserine lactone

23401073.57

16947603.89

N-Demethylricinine

6647308.77

5069013.72

N-Desmethyl Sildenafil

5057746.65

4878038.46

N-Dimethyl-2-aminoethylphosphonate

19183182.85

14082942.37

Necatorine

4755418.56

7358831.14

Neoamphimedine

33611582.09

25800615.43

Neoanhydropodophyllol

3302840.48

5635444.95

Neocryptotanshinone

18225121.62

21039168.32

Neoenactin NL2

17533760.64

271156.02

Neoglycyrol

62866359.54

31788353.58

Neoisoliquiritin

38043900.23

54314199.94

Neosolaniol

12005068.20

8772599.88

(-)-Nepetaside

5642105.75

4822353.75

Nepodin

20783940.81

16934018.68

NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE

561111381.77

337828576.17

N-Ethyl-N-Methylcathinone

8115950.44

13406696.98

Netilmicin

4073683.25

3242644.08

NeuNGc

12094555.06

12207475.54

Neurodazine

9316532.49

10218609.12

N-formylanthranilic acid

25168204.04

24189275.09

N-Formylcytisine

7525808.04

14442767.89

N-Fructosyl isoleucine

238259158.45

49382030.87

N-hexadecanoyl-L-Homoserine lactone

3913443.69

3308896.84

Nicotianamine

6748276.64

8290437.01

Nicotinamide

155111475.25

85121859.06

Nicotine glucuronide

8936192.62

4523686.91

Nicotinic Acid

196525574.18

184055771.50

Nicotinic acid riboside

150617033.55

124840461.43

Niga-ichigoside F1

10834080.30

440763.18

Nigrolineabiphenyl A

284159437.17

123850618.65

Ningpeisine

27869706.06

19765386.92

N-Isobutyl-(2E,4E)-octadecadienamide

29691108.40

59484412.97

N-Lauroyl Asparagine

24627579.54

20420662.17

N-lauroylethanolamine

8771618.17

7860213.29

N-Linoleoyl Histidine

11118193.58

4334772.19

N-Methyl-2-oxoglutaramate

23523545.03

12273149.85

N-methylanthraniloyl-beta-D-glucose

14157758.18

7076700.34

N-Methylcytisine

305833551.22

427349562.32

N-Methyldioctylamine

5089415.83

26480059.28

N-Methylethanolamine phosphate

1208962118.50

950762052.78

N-Methylflindersine

918453.43

1008923.26

N-Methyl-L-phenylalanine

15309790.05

23439268.92

N,N^-bis[(S)-1-methoxycarbonylethyl]fumaric diamide

9940678.87

2256895.64

N,N^-Dicyclohexylurea

6005525.02

6057213.25

N,N-Dihydroxy-L-tryptophan

18913213.58

8012057.29

N,N-Dimethylaniline

130366889.07

132501667.43

N,N-Dimethyldodecylamine

3671017.54

2212961.48

N,N-Dimethyl-lysine

23238234.55

11027987.08

N^-nitrosonornicotine

1143300.34

3981226.14

N-Nitrosopiperidine

3409721.84

2996385.21

Nonaethylene glycol

34305416.49

30802236.08

Nootkatone

677610.81

648814.66

Nopalinic acid

13170762.97

9131133.10

Noradrenochrome o-semiquinone

6764418.57

5271739.94

Norclozapine

48000582.82

13739496.83

Nordercitin

1088182908.37

728246878.13

Nordihydroguaiaretic acid

1804497.68

15579914.32

Norfuraneol

120172958.73

116780572.37

Norharman

8122024.51

7235965.05

Norselic acid C

1269677334.50

1025966275.35

Northalifoline

61555642.85

25311554.93

Nortracheloside

212837332.75

114279523.13

Nortropine

19528693.51

27883773.45

Norvaline

344986755.35

276026291.13

Norvaline betaine

2909868628.50

1815194771.83

N-Palmitoyl Arginine

1297718.48

1452369.69

N-Palmitoyl Lysine

51493794.83

13348972.21

n-Pentadecylamine

21169011.49

29580652.70

N-Stearoyl Asparagine

66986390.78

955487.11

N-Stearoyl Glutamine

2278843.26

1411734.48

N-Stearoyl Lysine

4356439.16

664148.52

N-trans-p-coumaroyloctopamine

16785255.63

15706842.54

Nummularine F

10136268.90

7081023.24

N-Vanillyldecanamide

20664885.73

11328632.18

Nystose

537320612.88

510078968.35

O-[(5Z)-dodecenoyl]carnitine

2161249.97

2666078.70

O-Acetyl-L-serine

1442640027.33

1820050592.17

O-Acetylsolasodine

26962773.59

49389655.54

O-acryloyl-L-carnitine

24367342.01

11319537.27

Obscuraminol A

1999406930.17

1999753776.67

Obscurolide A1

8899038.47

2393102.63

Octadeca-9-ene-1,18-dioic-acid

19362898.40

7421074.91

Octadecanoic acid

47313452.59

67693161.21

Octadecylamine

104720570.22

600346563.35

Octaethylene glycol

42714688.90

40416756.42

Octahydrocurcumin

42514400.90

70670408.56

octahydropyrrolo[1,2-a]pyrimidine

479966589.27

423994302.75

Octylamine

195627470.13

178659994.00

Odorine

8003273.34

6228367.80

Ofloxacin

11185732.36

7664739.63

Oleamide

254952333333.33

248084833333.33

oleoyl ethanolamide

555084356.08

571876929.63

Oleuropein

37566288.68

16735727.08

Olivetol

43114249.81

19184369.48

Omeprazole sulfone

16905181.07

11032724.42

O-methylmalonylcarnitine

145495224.82

31455529.29

Oncostemonol F

10786177.01

6312900.14

Oncostemonol G

927674.38

949397.92

Oospolactone

106917105.32

28595298.80

Ophiopogonanone A

15995578.03

22552598.12

Ophiopogonone C

14260460.75

9283991.86

Opuntiol

25628764.38

30127685.23

Orcinol gentiobioside

22087063.21

15786439.62

Orcinol glucoside

316020405.40

433527635.97

Ormosanine

6303163.01

7977140.52

Osmundalactone

88595052.72

148892679.58

o-Toluic acid

18048555.62

18698709.04

Oxidosenexone

160325004.37

220410631.87

Oxoglutaric acid

73070017.69

53770372.81

Oxonantenine

616505.49

567446.41

Oxypaeoniflorin

7145378.97

5878471.28

Oxypeucedanin

5443370.12

4757282.01

Oxypeucedanin hydrate

22326889.47

27248684.12

Oxyresveratrol

38364514.37

36975717.93

Oxysophocarpine

3172115.11

3190044.56

PA(12:0/12:0(3-OH))

9583753.50

15977528.57

PA(12:0(3-OH)/12:0(3-OH))

31579737.50

18300316.21

PA(8:0/10:0)

5119189.59

6254158.91

Pabularin C

73328869.27

47721056.53

Pacificanone A

170776676.45

142138429.65

Paederosidic acid methyl ester

7838139.93

5064955.16

Paeonolide

71184354.80

41435643.49

PA(i-12:0/i-12:0)

65421315.46

78724763.31

Palmitelaidic acid

19663705.35

31047506.62

Palmitic amide

101265817.29

127340246.05

Palmitoleoyl Ethanolamide

3258435639.00

2863334416.33

Palmitoylethanolamide

389928697.52

170891666.93

Palmitoyl N-Isopropylamide

49023917.56

117331996.68

Palmitoyl Serinol

41175690.49

64448164.48

Pamapimod

43633379.45

22847679.24

Pandangolide 1

31705989.45

18777464.54

Panthenol

16219785.20

15966530.85

Paradol

127707074.13

129973950.90

Paramethadione

28775567.97

28035657.25

Parthenolide

21600351.89

21742041.52

Paulownin

7071147.14

15372747.89

p-Benzoquinone

258446394.90

337628837.27

PC(16:0/18:1(9Z))

1582849611.55

3027840794.42

PC(18:1(12Z)-2OH(9,10)/18:3(9Z,12Z,15Z))

63085034.08

114023879.19

PC(20:4(5Z,8Z,11Z,14Z)-OH(16R)/16:0)

62868876.99

98715357.36

PC(22:1(13Z)/16:1(9Z))

90229901.32

59219754.13

p-Coumaroylagmatine

41848358.54

288119103.38

p-Coumaroylputrescine

31129174.48

74501893.12

PC(PGF1alpha/14:0)

22103297.87

44920540.02

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

98344640.60

88943524.76

Pedatisectine D

14826053.47

9039742.00

Peimine

31735699.23

27344705.83

Penmacric acid

5560689.61

3219541.15

Pentadeca-5,12-dienoylcarnitine

4432909.75

562131.92

Pentadecanolide

145698962.20

166790193.63

Pentaethylene glycol

7987020.39

9714624.93

Pentahydroxyflavanone

38851942.59

46995100.29

Perilla ketone

24056109.92

22244737.66

Perindoprilat

260642865.12

124363349.65

Persicogenin

3395284.39

5237860.80

Pestalotiopamide E

15327635.27

2908878.38

Petroselaidic acid(C18-1T)

11838001232.33

13250335664.00

(+)-Peusedanol

8164803.24

551712.26

PF-1052_130138

7691194.15

3391431.53

Phaseoloidin

39341840.98

31598929.36

Phe Leu Arg

25745345.93

20355297.09

Phenazine-1-carboxylic acid

4135806.65

4979716.94

Phenethyl ferulate

4620199.64

3584922.36

Phenobarbital

5845191.44

3636987.27

Phenol glucuronide

189268670.72

180218299.97

Phenolic phosphate

7150109.06

7638209.94

Phenylacetylglycine

33276036.89

23010871.45

Phenylacetylglycine dimethylamide

340216297.53

505244269.45

Phenylalanylaspartic acid

15613336.44

9933291.23

Phenylalanylglutamic acid

2207779.90

3419301.85

Phenylbutyrylglutamine

2493765.12

12489896.80

Phenyllactic acid

43740850.75

46729203.81

Phenylpropiolic acid

53934406.91

39288861.60

Phe Pro Asn

2929058.51

1063219.47

Phloretin

19983802.43

29262723.52

Phosphorylcholine

8811051.20

14679858.60

Phthalic acid

20987090.21

27974832.77

Phyllanthin

1052597100.67

5750439.11

Phyllurine

215254.73

212330.26

Physalin Y

45390743.84

16194531.75

Physostigmine

5500308.39

4553014.09

Phytosphingosine

316191733.23

562744500.25

Pibocin B

27498402.05

14511430.03

Picealactone C

3514657.79

2672678.86

Piceatannol

25453132.28

13461319.30

Picein

36836481.22

44885259.79

Picolinic acid

1468804238.00

1112179889.33

Picrinine

3854746.41

3470869.49

Picrocrocin

28805907.91

29875081.90

Picroside III

33183569.05

21987724.57

Picrotoxinin

12826505.04

16789729.65

Pimelotide C

10588428.11

20891762.86

Pindolol

2210433.15

3478707.22

Pinoresinol dimethyl ether

21943782124.00

21342936347.17

Pinostilbene

3829784.34

3742422.31

Piptamine(antibiotic)

5113057.40

6718719.65

Pirbuterol

1892802989.67

1266395856.67

Pisatoside

12445052.52

5965589.51

Piscrocin G

925170.14

5434919.05

Pisumionoside

121754280.83

303878923.57

Pizotyline

8048048.48

6201891.04

(plusmn)Fenfluramine

40982261.24

51601129.68

p-Octopamine

23093875.29

24789509.83

Podofilox

12655426.24

11921630.22

Podorhizol beta-D-glucoside

14695749.94

8337600.41

Polygalic acid

93659984.82

87006377.78

Poncirin

176506549.47

20226172.71

Ponicidin

10092305.71

9226984.01

Poricoic acid B

36056518.36

7991160.85

porphyrin-5,15-diol

30402000.27

32644190.12

Portentol

295394902.18

305471494.53

Posoquenin

3609680.04

3840765.65

Praeruptorin B

11278290.68

7114139.27

Praeruptorin E

3521657.72

5094455.65

Praziquantel

4303009.63

4314019.56

Precocene II

4284642.04

5025152.69

Pregnan-21-al

148363630.47

150382996.74

Premithramycin A1

33664209.06

23055969.86

Prilocaine

8900502.49

9833327.24

Pristanic acid

847887005.88

1297127812.17

Pro Arg Leu

5804009.19

2891240.63

Progesterone

10386820.83

12425759.04

Pro Gln His

95156643.96

73730888.85

Pro Glu Ile

4197215.85

1815300.11

Pro Ile

3483692029.50

3387270114.83

Pro Ile Trp

26017488.36

13929247.92

Prolyldiketopiperazine B

964502.40

2530613.50

Prolyl-Histidine

7672428.81

1008979.01

Prolyl-tyrosine

47055771.41

32172716.85

Propanoylagmatine

4498578.20

6498511.16

Pro Pro Arg

129126948.58

183071115.44

Proscillaridin A

22090764.91

6802008.45

Prosopinine

8827651.54

7869894.07

Prostaglandin E1

183824736.32

340193794.52

Protoconstipatic acid

41790183.11

4991493.35

PSEUDO-ANISATIN

51138287.46

59847908.53

Pseudodistomin D

1640661.68

2196637.51

Pseudolaric Acid C

7514205.99

8600631.06

pseudouridine

2845183.17

3468234.29

Psorospermin

13988245.62

26845425.45

Pterosin B

19737820.06

16681729.35

Pteryxin

336316041.12

397276968.73

Pubeside B

37522531.06

57729011.28

Puerarin 6^^-O-Xyloside

4211008.36

2551219.60

Pumiliotoxin 251D

750754928.52

778987305.27

Pyridoxamine

8113165.48

8158030.41

(-)-Pyridoxatin

967640.42

1286948.71

Pyridoxine

289866568.93

199729128.25

Pyriferine A

16718778.86

7522993.16

Quercetin 3-O-beta-D-(6^^-p-coumaroyl)glucopyranosyl(1-->...

2003677.58

2266622.32

Quinapril

172118182.77

41996270.76

Quinolinic Acid

2982823.96

3132013.15

Quisqualic acid

56276481.08

81963343.66

(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene

275749571.45

296262306.98

(R)-8-Methylsulfinyloctyl isothiocyanate

19286854.75

6528642.52

RAFFINOSE

567302171.45

670791046.88

Raloxifene

305317965.97

220930560.22

Raspberry ketone glucoside

17636038.48

20721026.59

Rauwolscine

15548919.38

1667001.72

[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadie...

90578506.99

66665381.80

Regaloside B

5409469.54

4816846.22

(rel)-beta-Tocopherol

38982944.67

48037412.10

Remangilone B

15306838.54

5090430.48

Resibufogenin

22026284.66

9186030.42

Retinoic acid

12609308.40

5644097.07

Reutericyclin

16010731.51

6945835.99

Rhodamine B

7365488.77

5510687.38

Rhodojaponin III

61822008.55

115348831.65

Riboflavin

3243739.09

3216123.52

Ricinoleic acid

543048583.67

339655385.03

Ro 20-1724

17479060.96

21147044.61

Roburic acid

36553151.69

34750557.68

Roccanin

7835216.68

8706557.26

Roccellin

48691714.41

33218753.86

Roehybridine

95841360.87

54342610.35

Rosin

3886155.43

5564022.92

R-Palmitoyl-(2-methyl) Ethanolamide

4047922.40

4758050.48

(R)-Ruxolitinib

12156300.36

5964804.47

(R)-Sulforaphane

23342699.98

34516737.97

Rumphellolide C

11410618.39

9686083.83

Rupestonic acid

9840341.07

9163915.03

(S)-10-Hydroxycamptothecin

47230254.08

60560534.43

(S1)-Methoxy-3-heptanethiol

23547988.43

38404639.49

(S)-9-Hydroxy-10-undecenoic acid

8426451.72

8432009.06

Sabinic acid

646546006.50

650296302.63

(+)-Sabinone

100545034.89

112979544.80

S-Adenosylhomocysteine

8350553.64

3744384.80

Saikogenin F

46880306.40

10819621.61

Salbostatin

41882335.92

22032594.90

Salbutamol

1886322.70

2030682.26

Salicyl alcohol

33767607.04

37867992.62

Salicylic acid

271547366.10

320030716.13

Salicyluric acid

13041447.59

14552166.97

Salidroside

30784869.40

33558994.55

Salinipyrone B

21306013.82

19818929.80

SALSOLINE

4881375.93

6136628.00

Salvianolic acid G

328211.52

282080.32

S-aminomethyldihydrolipoamide

145569556.49

135912389.78

Sanjoinine G2

1741341897.17

2263349280.67

Santene

155453784.12

165484050.53

Sarmentosin epoxide

39128505.61

12822247.73

Sarracenin

105497578.54

62273571.87

Sarsasapogenin

67125237.94

46085163.48

Sauchinone

7266727.27

4844195.56

Scapaniapyrone A

1226516.95

703401.82

Scensidin

27344776.13

29772548.56

Schaftoside

1860957261.33

1002029200.07

Schaftoside 4^-O-glucoside

31220223.85

22549451.20

(S)-(+)-Chelonin B

536495.13

2822374.09

Schisandrin B

43601184.88

40068382.97

Schisandrin C

489422.82

975605.39

Sclareol

59646265.47

25772184.63

Sclareolide

2556852.28

3690666.62

S-(-)-Cotinine

7456548.83

23235593.47

Scutellarein 6-metnyl ether 7-neohesperidoside

61170867.75

20354264.85

scyllo-Inosamine 4-phosphate

29232139.43

14945703.52

Sebacoyl-L-carnitine

13346653.63

14635242.07

Sec-O-Glucosylhamaudol

13271176.85

14680502.10

Sedanolide

33357225.65

30216664.56

SELENOCYSTAMINE

136979356.70

128293357.52

Senecionine

520800.31

3525025.19

Senkyunolide H

27641617.86

27403532.72

Sequoyitol

148183679.78

183678291.41

Ser Asp Arg

9381380.98

7707355.74

Serotonin

1256114182.83

776376905.07

Ser Phe Arg

269551056.05

323211040.62

Ser Tyr Arg

499415554.07

1346939298.83

Ser Val Leu

3879259.29

651429.59

Serylleucine

32147991.57

12780706.82

Sesbanimide A

73995182.39

15085268.32

Shanzhiside methyl ester

119741250.67

48929322.66

Shermilamine D

20578424.51

10693185.14

Shikonin

34912358.67

22495629.25

Shogaol

54288778.34

62457487.65

Shogasulfonic acid A

63718728.23

107286723.92

Sinapaldehyde

305401575.60

138542131.42

Sinapinic acid

2283834578.33

1017610427.38

Sinapinic acid-O-glucuronide isomer

3233833.59

7396769.22

Sinapoylagmatine

18616975.27

18181261.28

Sisomicin

9210431.62

14171061.82

Sitostanol-beta

5669777.81

23015118.85

(-)-Slaframine

3825661.29

3105266.16

S-Methyl GSH

15709225.45

28966229.93

sn-Glycero-3-phosphocholine

6476274467.67

4942080857.00

(-)-Solenopsin A

3360426.33

11878028.13

Songorine

18992606.77

643124.60

Sophocarpine

8761381.89

9483441.99

Soyasapogenol B

91572857.39

76157026.15

Spathulenol

119320350.92

130026191.87

(S)-(-)-Perillyl alcohol

261393128.95

272898850.60

Sphaeranthanolide

81797698.73

57117072.21

(S)-(-)-Phenylethanol

13379372.62

11983365.38

Sphingosine 1-phosphate (d16:1-P)

78335843.80

87926630.79

Sphingosine (d17:1)

6937719.15

13864253.58

Spiromassaritone

14174704.12

15659264.41

Spironolactone

24056553.28

11796791.03

Spirostan

5454061.12

9501542.62

Sporovexin C

84784819.70

13749331.02

S-Propyl-L-cysteine

2918972.18

1629157.58

Squamolone

208594151.83

170181709.28

Stachydrine

34868310.93

44900474.84

Stachyline D

23193912.05

12386265.69

Starch acetate

18111252.88

25212978.42

Stearamide

18541091231.33

28426287254.00

Stearidonic acid

344889133.25

178441512.23

Stearoylethanolamide

23115536.86

10826961.54

Stemaphylline N-oxide

4431323.35

3122918.34

(-)-Stephabinamine

64190234.81

23928396.80

Sterigmatocystin

9659126.95

6828465.42

Stigmatellin Y

7887110.40

6855841.79

Streptonigrone

6070433.76

1587662.31

Striatin C

555398.80

4487456.85

s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-pip...

109453436.99

142134970.23

STROBILACTONE A

47102329.13

43704374.20

Strobochrysin-dimethylether

13470324.87

7808165.19

Strophanthidin

8325774.15

7842163.92

Suberylglycine

36694984.67

39312388.23

SUCCINIC ACID

8157372.51

12399846.45

Succinyladenosine

67860047.02

48099782.69

Sucutinirane D

322880473.17

327888425.68

Sufentanil

16491901.65

30956252.31

Sulfadoxine

19218193.73

19146008.91

Sulindac

24451059.34

32869108.92

Sundiversifolide

6084516.42

4615236.19

Sweroside

90831684.56

35390121.70

Swertiajaponin

167507442.12

18946579.12

Sylviside

35541734.39

34327365.43

Syringaldehyde

5469097.27

5336119.34

(-)-Syringaresinol

295681495.78

80633697.55

Syringic acid

461506254.72

437663540.17

Syringin

26553840.18

18487991.69

Tachiogroside B

179578208.68

65218893.91

Tashironin

3343185202.50

3155116393.67

Taxifolin 3-methyl ether

6748587.27

3943155.96

Tazarotenic acid

45955312.90

61470749.07

Tecomine

53539427.38

17310051.79

Tectorigenin

1475932.01

1707094.27

Tenofovir

1795681.96

4438714.85

Tepanone

19108377.64

10087606.83

Terezine B

24503181.70

25269639.29

terrein

9533394.36

13941239.91

Tetracenomycin F2

18121717.46

28299014.48

Tetracenomycin X

8326520.07

3982832.16

tetradec-5-ynoic acid

46271473.79

47771158.82

Tetradecanoylcarnitine

234514937.57

56295967.60

Tetradecyl iodide

100501192.57

92611533.83

Tetrahydrocortisone

33425909.54

14102820.78

Tetrahydroxymethoxychalcone

5183078.57

7723593.56

(+)-Teucriumlactone

12666440.05

14245197.85

Thiamine

203870406.52

364036044.22

Thiazole, 4,5-dihydro-2,4,4-trimethyl-

8392305.86

6308813.11

Thiodi-glycolic acid

6172081.77

8741823.15

Thioridazine 5-sulfoxide

6323060.03

6309536.88

Thonningine A

4361845.25

4770832.38

Thr Arg Tyr

2655934.72

9762997.40

Threonylhydroxyproline

6884149.40

834624.48

Threonylphenylalanine

11423256.49

3695989.69

Threonylthreonine

24964394.17

32555410.34

Threonyltyrosine

5240336.44

4336181.58

Thr Glu

11346117.26

7266855.48

Thr Phe Arg

210696501.72

106368935.44

THTC

235170078.10

95849227.88

Thymidine

434176001.97

426697621.88

Thymoquinol 2-O-beta-glucopyranoside

1737093.01

5370245.75

Thyrotropin releasing hormone

184422205.27

207271154.37

Tilmacoxib

2480146.87

3007977.37

TMS

16412123.66

28383510.61

Toddalolactone

95480153.17

117766718.80

Topsentisterol B1

155585892.67

183608476.80

Toringin

20399034.53

16689840.75

Tormentic acid

13435221.09

5310597.38

Tournefolin B

23002044.80

37223044.69

trans-2,4-hexadienal

11881851.67

17655870.11

trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthrace...

5708085.90

3675366.57

trans-3-Hydroxycotinine glucuronide

24138033.55

23185400.02

trans-7-Nonadecenoic acid

19353223.80

32267354.34

trans-Chalcone

5752749.98

6127498.46

trans-Cinnamate

106341153.80

78561605.02

trans-Ferulic acid

846134259.03

546600413.55

trans-Isoferulic acid

92689123.08

101108752.89

trans-p-Menth-8-en-7-ol

1129370.11

1552666.91

trans,trans-2,4-Decadienal

54265628.77

53537695.97

Triacetin

73335790.43

45451313.33

Tri(butoxyethyl)phosphate

28526067.79

1325017.67

Tricalysioside S

2955855.49

2272524.36

Tricalysioside T

48453261.22

31899770.83

Tricaprilin

11605862.88

9930649.20

Tricin

9511125.81

18438526.35

Tricin 7-glucoside

16292475.12

9115779.61

Tridodecylamine

17219870.98

93620253.05

Triethyl phosphate

1162049.72

396363.38

Trifluridine

94170564.23

58241983.07

Triglyme

7169727.97

6713202.33

Trihexanoin

2032315.40

2543135.76

Tri-isobutyl phosphate

9152654.26

8298633.28

Trimethylgallic acid

30778124.82

27408431.74

TRIPHENYL PHOSPHATE

1726047.45

1821746.81

Triphenylphosphine oxid

86320199.59

92544978.06

Triphenylsilanol

18904015.27

23066142.80

Tripropilamine

3327158.54

3947227.33

Triptocalline A

56956086.52

31056801.44

Triptonide

19923718.61

10981230.13

Tris(1-chloro-2-propyl)phosphate

22220446.97

5459246.43

Tris(2,4-di-tert-butylphenyl)phosphate

4472107565.83

4790334264.17

Tris(2-hydroxyethyl) isocyanurate

11379497.56

12585615.83

Trixagotriol

139212014.38

139815650.53

Trovafloxacin

15887199.54

16268042.10

Trp-Asp-Ser

6372202.34

5950270.76

Trp Gln Gln

5315503.69

6618499.61

Trp Ile His

127293961.48

10653205.04

Trp Met His

64017472.19

49238042.27

Trp Phe Glu

11156687.09

4466981.37

Trp Phe Tyr

3937409.89

779818.98

Trp Thr His

53751324.72

89863150.86

Trp Trp

13544212.86

9027275.30

Tryptophol

2774418952.33

1726726314.83

tryptoquialanol

8000137.85

2669650.21

Tsitsikammamine A

24363165.16

15994465.43

Tuberatolide A

206437615.98

187673164.53

Tuliposide B

820832.06

1571974.48

Tumonoic acid E

35197248.34

6944389.54

Tyr Arg Thr

122736794.97

109619173.18

Tyr Asn Tyr

9035707.00

1070102.67

Ureidopropionic acid

34959411.45

40517519.05

Uridine 2^-phosphate

19819707.40

26371205.83

Urolithin A

356805370.95

203709975.60

(+)-Usnic acid

2356942.46

2472557.57

Ustiloxin F

4568594.70

1882489.50

Val Arg

3099801.90

1094503.38

Valerophenone

27684150.67

25139877.03

Valeryl-carnitine

14253906.37

10679332.18

Valyl-Gamma-glutamate

15665604.23

9776957.63

Valyllysine

43574703.17

21271440.27

Valylproline

93560532.73

48679929.52

Vanillyl butyl ether

2097844.80

1140404.91

Vardenafil

8811835.95

10823979.29

Verbenone

167793503.40

158679153.90

Vicenin-1

188417588.68

112185801.17

Vicibactin-7101

42415135.85

10646535.12

Victoxinine

40727622.01

504733.48

Vinburnine

3446274.01

3246530.28

Vindoline

231692010.42

83291721.89

Virescenoside Q

93895918.47

57759744.86

Viridiol

180142419.22

94062493.05

Visnagin

54619144.60

71390537.27

Vitexdoin C

98048788.03

45902238.46

Westcort

15124004.34

613297.51

Wilforlide A

13154475.29

16202912.38

Xanthopterin

3988590.92

4915379.70

Xanthoxylin

105221250.70

88480360.19

Xestodecalactone C

97639853.67

57335333.47

xi-1-(Propylthio)-1-propanethiol

39215626.16

16219547.21

Xylobiose

37249696.09

81415887.85

Xylotetraose

1741185.26

4003858.43

Yaretol

59191861.19

28681892.77

Yinyanghuo A

707868.40

1816253.16

(Z)-2-octylpent-2-enedioic acid

247163947.47

292070184.77

(Z)-5,8,11-trihydroxyoctadec-9-enoic acid

1129207164.85

458389175.45

Zhepiresinol

35073794.52

31660884.07

Zingerone

51393970.81

33946185.21

(Z)-Octadec-12-ene-8,10-diynoic acid

154053695.10

96035212.77

Zolmitriptan

4453508.40

368655.83

Data for ST004227

Factors:

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