Clustering data with hclust algorithm for (Study ST003002)

Reversed phase NEGATIVE ION MODE (Analysis AN004930)
MetaboliteStructureF1F2
6-{[6-(2-carboxyethyl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidME7775191.030.97
Chrysanthemic acidME7774740.851.12
1-Naphthalenesulfonamide,N-(6-aminohexyl)-ME7767350.841.13
(2R,3R,4S,4Ar,6aR,6bS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-4-carboxylic acidME7776310.921.06
6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehydeME7770670.821.14
Ac-Ser-Asp-Lys-Pro-OHME7775070.781.18
17alpha-EthinylestradiolME7768520.901.08
9(10H)-Acridinone,1,4,5-trihydroxy-3,6-dimethoxy-10-methyl-ME7775111.120.90
4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiolME7767710.881.10
D-Arabinono-1,4-lactoneME7770430.921.06
2-Methylheptanoic acidME7772301.240.80
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acidME7775601.090.93
7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-trimethoxy-4H-chromen-4-oneME7775140.961.03
Ala-Ala-Pro-Val-chloromethylketoneME7775041.110.91
3-(4-hydroxyphenyl)acrylaldehydeME7770531.040.97
3-(4-Hydroxyphenyl)-Propionic AcidME7769161.200.84
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanoneME7770371.050.96
4-Oxododecanedioic acidME7770171.100.92
BropirimineME7768560.631.30
(3R,4S,5R)-4,5-dihydroxy-3-phosphonatooxycyclohexene-1-carboxylateME7776230.911.07
28-HomobrassinolideME7775570.951.04
6-Methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dioneME7769590.901.08
Bromothymol blueME7767491.060.95
6-Bromo-2-phenyl-4-quinolinecarboxylic acidME7770030.801.16
6-(Trifluoromethyl)nicotinonitrileME7770810.461.45
3-Mercapto-1-hexanolME7775450.881.10
1-(6-Chloropyridin-2-yl)piperazineME7767110.981.02
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acidME7775480.921.07
4-Methyl-2-methylene-1-(1methylethylidene)-cyclohexaneME7775310.971.03
7-Bromo-5-fluoro-1H-indole-2,3-dioneME7769710.901.08
1-Hexadecyl lysophosphatidic acidME7768931.040.97
Asp-Gly-LysME7774890.941.05
[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenyl]oxidanesulfonic acidME7773061.050.96
Chloramphenicol sodium succinateME7766751.060.95
2,4-Dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamideME7766931.050.96
Ac-Yvad-choME7771711.030.98
AllysineME7775010.811.16
(2S)-2,3-bis(azaniumyl)propanoateME7776301.100.92
3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)-1lambda-Chromen-1-YliumME7775510.961.03
{5-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl}oxidanesulfonic acidME7772911.030.98
7-tert-Butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dithioneME7769880.841.13
2-azaniumyl-5-[[1-[[1-carboxylato-4-[[1-(2-carboxylatoethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoateME7775630.831.14
2-Chloro-N-(2-hydroxyphenyl)nicotinamideME7772831.150.88
(4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-iumME7776180.991.01
1-MonopalmitinME7768801.050.96
[(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,11,13-Pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoateME7773240.961.03
2-Amino-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrileME7772271.040.96
Asp-Phe-Ser-ArgME7774881.001.00
2,6-Dimethoxy-3-pyridinylboronic acidME7770791.001.00
{6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl}oxidanesulfonic acidME7772901.250.80
4beta-Hydroxywithanolide EME7775290.841.13
Ala-Ala-Gln-Asn-LeuME7775050.981.02
2-Phenylethyl beta-D-glucopyranosideME7775691.020.98
CortexoloneME7771511.320.74
[3-(2-hydroxyethyl)-1H-indol-5-yl] sulfateME7773081.050.96
3-[(5E)-5-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acidME7775420.971.02
3alpha,12alpha-Dihydroxy-5beta-chol-6-enoateME7775380.861.11
Cys-Leu-ThrME7774700.881.10
6-AcetylpicropolinME7772381.700.43
Adipic AcidME7772130.851.13
9,10-Dihydroergocornine methanesulfonateME7771750.981.02
Asparagusic acid syn-S-oxideME7774860.901.08
2-Iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamideME7775741.020.98
CoprineME7768410.991.01
4,5-Dihydroxybenzene-1,2-dicarboxylic acidME7768061.060.95
5-(Methylthio)-1-phenyl-1H-tetrazoleME7771671.170.86
2-MethylbutyraldehydeME7766821.020.98
(2Z)-2-Cyano-4-(beta-D-glucopyranosyloxy)but-2-en-1-yl 4-hydroxy-3-methoxybenzoateME7776241.200.84
8-Amino-7-oxononanoic acidME7769361.011.00
BenzofuranME7774830.901.08
4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-,(S)-ME7775300.951.04
3-Methylphenylacetic acidME7768191.360.71
5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocinME7775271.001.00
4,6-Dimethyl-3,7-diphenyl-2,8-dioxo-2H,8H-benzo(1,2-bME7775351.080.94
D-Calcium PantothenateME7771880.771.19
1-O-CinnamoylglucoseME7769620.721.23
3-Chloro-2-hydroxy-5-phenylbenzoic acidME7772731.460.62
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamideME7766900.611.32
(2-{2-[(3-Methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acidME7776350.851.13
[(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphateME7773090.901.08
1-Myristoyl-2-hydroxy-sn-glycero-3-phosphoethanolamineME7772160.931.06
2,4-Dichlorophenoxyacetic acidME7771520.931.06
Combrestatin A4ME7772340.781.18
1-(2-Fluorobenzyl)-4-(methylsulfonyl)piperazineME7768351.060.95
5-Bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-oneME7767830.991.01
2-[4-[(2-Phenyl-1H-imidazol-5-yl)methyl]piperazino]pyrimidineME7771190.771.19
12-Hydroxydodecanoic acidME7769111.010.99
5-Bromo-8-quinolinolME7772280.841.13
[(2S,3R,4S,6R)-2-[[(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazaniumME7773101.050.96
2-aminopyrimidine-4-carboxylateME7775641.240.80
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acidME7771861.410.66
Caffeic acid 3-glucosideME7770541.030.98
Carfentrazone-ethylME7772081.100.92
Asn-Asp-Glu-ArgME7774950.831.14
[(1R,2R,3Ar,4S,7S,7aR)-7-hydroxy-3a,4-dimethyl-4^-methylidene-2^-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3^-oxolane]-1-yl] 2-methylpropanoateME7773260.981.02
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenolME7767220.931.05
Asiatic acidME7769410.631.30
Bisphenol A glycidylmethacrylateME7771431.020.98
2-OxosuberateME7775710.841.13
(2S)-LiquiritigeninME7776271.210.83
4-Androsten-17beta-ol-3-one sulfateME7767970.991.00
4-Ethyloctanoic acidME7771361.130.89
2-Oxovaleric AcidME7771160.831.14
Atipamezole hydrochlorideME7772711.100.92
2-Phosphoglycolic AcidME7772050.991.01
4-(4-Fluoroanilino)-4-oxobutanoic acidME7771020.981.02
9,10-EpOMEME7775091.430.65
2,3^,5-TrichlorobiphenylME7769690.951.04
4-Dodecyloxy-2-hydroxybenzophenoneME7770311.050.96
Chenodeoxycholic acid sulfateME7774751.230.81
Allocholic acidME7770560.791.17
CelastrolME7769980.811.15
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenolME7770131.140.89
1,5-IsoquinolinediolME7769020.871.10
2,5-DiaminotolueneME7766861.160.87
6-Bromo-2-(thiophen-2-yl)quinoline-4-carboxylic acidME7770021.080.94
(1S,9R,12S)-4,13-dimethoxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-3,12-diolME7776380.891.09
5-O-p-Coumaroylquinic acidME7771120.831.14
2-(1H-1,2,4-Triazol-5-yl)-1H-isoindole-1,3(2H)-dioneME7768390.981.02
AcetylvalineME7770180.781.18
Dehydro-L-(+)-ascorbic acid dimerME7767750.981.02
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazineME7768160.851.12
Chenodeoxycholic acidME7769330.681.26
2-(2,4-Difluorophenyl)pyrrolidineME7768980.831.14
1-Methyluric acidME7767820.931.06
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneME7775171.170.86
Ala-Asp-IleME7775020.911.07
3,4-Dichloro-N-(4-methylbenzyl)benzamideME7775530.921.07
7,8-Dihydro-7,8-dihydroxykynurenateME7775180.841.13
3b-Hydroxy-5-cholenoic acidME7768940.741.21
Acetylsalicylic acidME7769210.581.34
2^-DeoxyuridineME7766840.891.09
2-(2-pyridyl)-4-methyl-Thiazole-5-Carboxylic AcidME7769940.981.02
2-tert-Butyl-4-hydroxyanisoleME7775621.330.73
(1R,2R,5S,8S,9S,10S,11S)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylateME7776410.981.02
2,4-Dichlorobenzyl imidothiocarbamateME7772041.010.99
2,3,5-Trichloro-cis,cis-muconateME7775860.911.07
Dehydrolithocholic acidME7771470.761.20
27-Deoxy-5alpha-cyprinolME7775581.100.91
3-Quinolinecarboxamide,1,4-dihydro-6-(1-methylethyl)-4-oxo-1-pentyl-N-tricyclo[3.3.1.1(3,7)]dec-1-yl-ME7772700.781.18
Ala-Asp-Arg-ArgME7775030.971.02
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acidME7770201.090.92
(6-Fluoro-1H-benzimidazol-2-yl)methanolME7769630.641.30
6^-Oxogentamicin X2ME7775240.901.08
5-Bromo-3-nitropyridine-2-carbonitrileME7768510.931.05
7-MethylrosmanolME7772410.731.22
2-Amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrileME7775771.270.78
DebromoaplysiatoxinME7768990.731.22
(2E)-3,7-dimethylocta-2,6-dienoateME7776340.861.12
(5Z)-5-{[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dioneME7767011.190.84
9-(Methylthio)nonanenitrileME7775080.851.13
Benazepril hydrochlorideME7767120.981.02
2-Amino-N-cyclohexylethanesulfonamideME7770120.701.25
CostatolME7768121.040.97
(4-Chlorophenyl)ureaME7771811.010.99
Bromodeoxyuridine (BrdU)ME7768401.100.92
4-Hydroxycyclohexylcarboxylic acidME7769771.770.37
22-HydroxydocosanoateME7775591.100.92
2-Chloro-N-(1,3,4-thiadiazol-2-yl)acetamideME7769491.020.98
[(5-Mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acidME7768841.050.96
2-(N-Benzylamino)-5-chloro-3-fluoropyridineME7772820.891.09
Acetic acidME7768051.020.98
1-Dehydro-9-fluoro-11-oxotestololactoneME7776060.841.13
3-Oxohexadecanoic acidME7775440.681.26
3-Amino-2,3-dihydrobenzoic acidME7767070.841.13
1,2,3,4-Tetrahydro-1-naphthylamineME7770760.871.11
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-yloxyoxan-2-yl]methoxy]propanoateME7775390.991.00
2-[4-(Hydroxycarbamoyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamideME7771731.290.76
3-DecanoneME7775471.060.95
2-Hydroxy-3-methylbutyric acidME7771231.190.84
CarboxycelecoxibME7774770.781.18
Dapsone hydroxylamineME7770080.991.01
3-(Octylsulfanyl)propanoic acidME7767860.821.15
BenzoylagmatineME7774820.881.10
(2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-1-oxo-3-prop-2-enylsulfanylpropan-2-yl]amino]-5-oxopentanoateME7776281.250.80
Arg-Glu-Asp-ArgME7774981.070.94
16-Hydroxyhexadecanoic acidME7769100.871.11
Arg-Asn-Gln-GluME7774990.751.20
2-(1-Piperidinyl)-1H-benzimidazoleME7770381.020.98
Arg-Gly-Glu-Val-LeuME7774971.001.00
3,3-Dimethylglutaric acidME7769280.591.34
(3-Ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetic acidME7769431.630.48
12-Methyltetradecanoic acidME7775950.901.08
2-Bromo-N-(2-thienylmethyl)acetamideME7767040.911.08
(4As,6aR,6bR,8aR,9R,10S,12aS,13R,14aS,14bS)-10-acetyloxy-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acidME7776191.050.96
1-Pentadecanoyl-sn-glycero-3-phosphocholineME7772560.691.25
2,4-QuinolinediolME7767150.851.12
Benzoic AcidME7767981.030.98
2-Chloro-1,1,1-trifluoroethaneME7767580.801.17
7-(2-Thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acidME7767920.821.15
1-MethylxanthineME7770400.951.04
2-({[(4-Bromophenyl)thio]acetyl}amino)benzoic acidME7775780.761.20
2-Chloro-N-(4-chlorophenyl)acetamideME7770040.961.03
3-(2,5-dimethoxyphenyl)propanoic acidME7775491.100.92
11-Deoxocucurbitacin IME7766730.831.14
Aminodiphenylacetic acidME7770191.060.95
2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)malononitrileME7775800.701.25
Bis-D-fructose 2^,1:2,1^-dianhydrideME7769860.811.15
[(4-Methoxybenzyl)sulfanyl]acetic acidME7769890.891.09
3-Hydroxy-5Z-octenyl acetateME7775461.070.94
2-Amino-4,6-dichloropyrimidine-5-carbaldehydeME7768600.911.07
2-Dec-9-enyl-3-hydroxypentanedioic acidME7775750.651.29
[3-Me-His2] TRHME7773071.540.56
5-Chloro-1,2,4-trihydroxybenzeneME7772291.090.93
11-Ketofusidic acidME7775961.070.94
Ceanothine BME7771071.040.97
4-Bromo-N-cyclohexyl-5-methoxy-2-nitroanilineME7771931.001.00
7-Sulfocholic acidME7775151.030.97
1,3-Dimethyluric acidME7766870.771.19
Azelaic acidME7772170.811.16
ClopyralidME7771291.001.00
1,3,7-Trimethyluric AcidME7768810.681.26
5-Hydroxyhexanoic AcidME7771130.451.45
1-Fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzeneME7776050.921.07
2,3-Diphenyl-1-indanoneME7771170.891.09
1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diolME7772661.140.89
7-Hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-oneME7770260.991.01
2,5-Dihydro-2,4,5-trimethyloxazoleME7775820.991.01
8-Cyclopentyl-1,3-dimethylxanthineME7769851.150.88
3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic acidME7775400.841.13
Cyclopassifloic acid BME7774710.921.07
2H-1-Benzopyran-2-one,6,7-dimethoxy-8-(3-methyl-2-butenyl)-ME7775560.971.02
4-Nitro-N-(2-pyrimidinyl)benzenesulfonamideME7770631.020.99
4-HydroxybenzaldehydeME7772191.480.60
[(1R,4As,4bR,7S,9R,10aR)-9-acetyloxy-7-methoxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetateME7773191.100.92
Cytochalasin OphoME7774680.851.13
10H-Phenoxazine-10-butanamine,2-chloro-N,N-diethyl-ME7775971.240.80
1,2,3-Tris(chloromethoxy)propaneME7769671.040.97
7alpha,12beta-Dihydroxy-5alpha-cholan-24-oic acidME7775131.170.86
4-Methoxyphenylacetic acidME7772720.931.06
Cholic acid methyl esterME7771690.871.11
3,4-Dimethyl-5-pentyl-2-furanundecanoic acidME7775520.971.02
Asn-Glu-IleME7774941.100.92
Arg-Met-LysME7774960.871.11
1-HydroxycarvedilolME7776040.891.09
4-Phenyl-1H-pyrazol-3-ylamineME7768660.561.36
1,5-Anhydro-D-fructoseME7767540.721.23
2-Pyrimidinecarboxamide,hexahydro-N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-ME7770980.941.05
6,10,14-Trimethyl-2-methylenepentadecanalME7775231.010.99
3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-oneME7771580.921.07
Adouetine XME7771041.020.98
DapiprazoleME7774640.881.10
3-(Methylsulfonyl)-1H-1,2,4-triazol-5-amineME7767031.510.58
ArdisianoneME7767940.791.17
1-(Pyrimidin-2-yl)-1,4-diazepaneME7770900.921.07
Calcium DobesilateME7770991.150.88
Carbobenzyloxyglycyl-L-norleucine methyl esterME7774780.631.30
3-EthylphenolME7768211.140.89
Curtisian OME7774721.050.96
1,2-Bis(chloromethoxy)ethaneME7771960.841.13
2-[(6-Chloro-3-pyridyl)methylthio]ethylamineME7772540.991.01
12-HOMEME7771801.330.73
(4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acidME7776201.020.99
1-radyl-2-acyl-sn-glycero-3-phosphocholineME7775980.831.14
3-Oxocholic acidME7770690.621.31
1,7-Dimethyluric acidME7769990.801.17
1-Isopropyl citrateME7776030.891.09
BenzhydrolME7766980.981.02
1-Heptadecanoyl-sn-glycero-3-phosphocholineME7769070.991.01
6-Bromo-2-chloroquinoline-3-carboxaldehydeME7767700.941.05
Asp-Asp-GluME7774900.831.14
[(1R,2S,3S,4R,7S,8R,9R,10R,11R,13S,14R,17R)-2,9,10-Triacetyloxy-13-chloro-8,17-dimethyl-12-methylidene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-4,2^-oxirane]-7-yl] acetateME7773211.790.35
2,6-DibromophenolME7768280.901.08
3-Methylglutaric acidME7771541.180.85
(4S,4As,7aS)-4,7-bis(hydroxymethyl)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-3-oneME7776161.100.92
BuprenorphineME7768960.911.07
CitalopramME7768380.921.07
6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindiniumME7775220.861.12
[8]-DehydrogingerdioneME7767391.530.57
CabergolineME7767310.931.06
5-HETrEME7767051.380.68
5-O-FeruloylnigruminME7775251.040.97
BufotalinME7769351.400.67
4-Benzyloxy-2^-hydroxy-3^,4^,5^,6^-tetramethoxychalconeME7775340.831.14
(1R,4S,4As,5S,6S,8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triolME7776401.001.00
[(2S,3R,4S,6R)-2-[[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazaniumME7773111.160.87
Bis(4-fluorophenyl)methanoneME7769930.901.09
Acylated phloroglucinolME7775060.691.26
BrimonidineME7768360.791.18
Camphoric acidME7774790.981.01
2-Methyl-2-(4-nitrophenoxy)propanoic acidME7771221.300.75
[(1R,3R,5S,8R,9R,10R,13S)-9,10-Diacetyloxy-13-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoateME7773201.140.88
(1R,8S,10S,11R,12S)-3,4,11,12-Tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-13,16-dioneME7776391.030.98
(+)-Abscisic AcidME7770880.841.13
Cabozantinib (XL184,BMS-907351)ME7767180.981.02
Convallagenin AME7771270.891.09
butanedioateME7773021.350.71
CamptothecinME7767420.911.07
15(S)-HETrEME7766911.120.90
3-(3-Hydroxyphenyl)Propionate AcidME7768181.130.90
3-(2,5-Dimethoxyphenyl)propanoic acidME7772651.290.76
6-Bromo-4-chloro-2-phenylquinolineME7767141.200.83
Clavamycin BME7774730.911.07
(2R)-2-amino-3-sulfinatopropanoateME7776330.881.10
Cyclamic acidME7772861.380.69
1-Chloro-2-methylpropeneME7769040.681.26
5-Bromoisatoic anhydrideME7769370.661.28
2-Oxo-10-methylthiodecanoic acidME7775721.030.98
3-Hydroxymyristic acidME7771031.040.96
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphateME7773041.001.00
4-Hydroxyphenylacetic acidME7771460.721.23
AminoguanidineME7771080.871.11
cis-(Homo)3-aconitateME7773010.901.08
1,2,4,5,7,8-HexathionaneME7776091.090.92
2-(1,3,4-Thiadiazol-2-ylsulfanyl)acetic acidME7768901.130.90
6,8a-Seco-6,8a-deoxy-5-oxoavermectin^^1b^^ aglyconeME7775210.891.09
4-Hydroxy-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl 6-deoxy-2-O-((2Z)-2-methylbut-2-enoyl)hexopyranosideME7775330.921.07
9(S),12(S),13(S)-TriHOMEME7766781.160.87
1-MethylnicotinamideME7770151.010.99
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME7775411.130.89
3-Hydroxycapric acidME7771061.060.95
[(2-Bromobenzoyl)amino]acetic acidME7767301.130.89
Austalide IME7774840.961.04
12,13-DiHOMEME7770491.100.92
12-Hydroxyoctadecanoic acidME7772631.200.84
5-Hydroxyindole-3-Acetic AcidME7768831.200.83
2-Hydroxycinnamic acidME7768240.591.34
Bis(2-butoxyethyl) phthalateME7772351.420.65
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoateME7768730.981.01
(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methanolME7766881.001.00
4^-hydroxytrazodoneME7775360.681.27
2,4-Dihydro-4-(phenylmethyl)-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thioneME7767651.010.99
2-Methylsuccinic AcidME7769240.931.06
4-[3-(Trifluoromethyl)phenoxy]butanoic acidME7767101.160.87
Asn-His-OHME7774930.871.10
4-(Chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-oneME7771380.991.00
beta-Alanine,N-[2-[(3-hexylphenyl)amino]-2-oxoethyl]-ME7771980.871.11
10-(beta-Dimethylaminopropionyl)phenothiazineME7768070.821.15
1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylateME7776001.180.85
2,6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purineME7770970.891.09
4-Chloro-7-fluoropyrrolo[1,2-a]quinoxalineME7771901.040.97
8-(3-Octyl-2-oxiranyl)octanoic acidME7770601.350.71
1,3-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ureaME7770421.180.85
AjugalactoneME7769540.711.23
Asn-Thr-Gln-GluME7774910.981.02
1,3,5,6-Tetrahydroxy-7-methoxyxanthen-9-oneME7776080.801.16
7-Ketodeoxycholic acidME7766950.821.15
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanateME7775370.691.25
6-ChlorocatechinME7775201.300.75
1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanoneME7776100.831.14
2-ChloroticlopidineME7775760.841.13
17alpha-ChloroethynylestradiolME7775891.050.96
5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-amineME7770140.901.08
3-Sulfodeoxycholic acidME7775430.861.12
Calcium carbimideME7771451.090.93
2^-DeoxyinosineME7767020.621.31
4H-Pyrrolo[3,2-c]pyridin-4-one,1,5,6,7-tetrahydro-2-[2-(3-quinolinyl)-4-pyridinyl]-ME7767761.030.98
[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphateME7773161.050.96
ActaraME7771490.921.07
1,4-DibenzyloxybenzeneME7768171.700.43
4-HydroxymandelonitrileME7775321.030.98
3,5-Dibromo-4-hydroxyphenylpyruvateME7775501.011.00
9,10,13-TriHOMEME7775101.120.90
Benzoyl chlorideME7766760.981.01
2-Dodecenedioic acidME7768041.030.98
Byssochlamic acidME7767640.821.15
1,2-DichloroethaneME7772620.681.27
2-[hydroxy(oxido)arsoryl]acetateME7775661.130.89
3-[5-(4-Pyridinyl)-4H-1,2,4-triazol-3-yl]pyridineME7769791.190.84
6-(3-Chloro-4-methylanilino)-2,4(1H,3H)-pyrimidinedioneME7767781.230.81
2-{2-[2-(Acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl acrylateME7766890.991.01
2-Aminoethanesulfonic acidME7772611.010.99
12S-Hydroxy-5Z,8E,10E-heptadecatrienoic acidME7768790.651.29
1,2-DimethylimidazoleME7771241.060.95
(2S)-2-azaniumyl-4-oxidophosphonoylbutanoateME7776291.010.99
ButylalphamanME7774800.981.01
3-(3,3,3-Trifluoropropylsulfanyl)propanoic acidME7766831.001.00
1,1-DichloroethaneME7767590.941.05
AmsacrineME7769050.931.06
1-Nitro-2-phenoxybenzeneME7770771.070.94
alpha-Muricholic acidME7770651.270.78
[(2R,2As,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoateME7773171.100.92
[(1R,2R,4As,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] hydrogen sulfateME7773230.981.02
[(2R,3S,4R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateME7773150.781.18
Bis(2-ethylhexyl) phthalateME7772360.871.11
5-(3,5-Dinitrophenyl)-1,3,4-thiadiazol-2-amineME7772550.911.07
Boc-DArg-Gly-Arg-CHOME7774811.100.92
12-ketolithocholic acidME7769030.861.11
4-Hydroxy-3-methoxyphenylacetic acidME7770211.790.35
9,10-DihydroxystearateME7772241.080.94
17alpha-HydroxypregnenoloneME7769661.090.93
13-DeoxytedanolideME7772000.741.21
2-PentylthiazolidineME7775701.070.94
(3-Iodopyridin-4-yl)carbamic acid,1,1-dimethylethyl esterME7770921.440.64
2-(trimethylazaniumyl)ethyl phosphateME7775791.020.98
3-phenylbutyric acidME7769450.871.11
CyclohexanoneME7772571.450.63
2-{1-[(2-Methoxy-5-pyrimidinyl)methyl]-3-piperidinyl}-6-(2-thienyl)-4-pyrimidinolME7775611.090.93
{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl}oxidanesulfonic acidME7772891.390.68
[(1R,2R,3R,8R,9R,10R,13S)-2,10-Diacetyloxy-9-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadeca-5,11-dienyl] acetateME7773250.831.14
4-[(4-Bromo-3-methylphenyl)sulfonyl]morpholineME7769701.120.90
(3S)-3-Hydroxy-L-enduracididineME7776220.911.07
4-Oxatetradecanoic acidME7767670.841.13
1,3-DiacetylpropaneME7776071.150.88
3-MethylbenzaldehydeME7768201.080.93
1-Cyclohexyl-6,7-difluoro-1,3-benzodiazoleME7771920.951.04
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanoneME7769530.951.04
2,5-HexanedioneME7772520.921.07
Aflatoxin G2ME7767771.060.95
2,4-DiaminotolueneME7766851.010.99
13-(3,4-dimethyl-5-pentyl-2-furyl)tridecanoic acidME7775931.520.57
4-Amino-N-(2,6-dimethylphenyl)benzamideME7767370.921.07
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylateME7773120.801.16
8-HydroxyquinolineME7771611.050.95
3,16-DIDEOXYMEXICANOLIDE-3-DIOLME7775550.701.25
5-HydroxyfluvastatinME7775261.770.37
4-(Difluoromethoxy)benzonitrileME7767001.270.78
2,3-EpoxymenaquinoneME7775841.100.92
2-O-(alpha-D-Mannosyl)-D-glycerateME7775730.991.00
1,6-Dioxacyclohexadecane-7,16-dioneME7768450.691.26
2-amino-3-hydroxybenzoateME7775651.130.89
Atrolactic acidME7774851.130.90
Cinnamic AcidME7771821.260.78
3-(4-Bromophenyl)-7-hydroxy-4H-chromen-4-oneME7766800.971.02
[(1R,2R,5R,9S,17S)-6-Oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetateME7773220.921.07
2,6-Dibromo-4-nitroanilineME7767261.040.97
1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]butan-1-oneME7775990.911.07
ChlorophacinoneME7769751.080.94
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enolME7776010.941.05
2-Hydroxy-2-methyl-3-oxobutanoic acidME7767800.841.13
ChamazuleneME7768911.020.99
17-Trifluoromethylphenyltrinorprostaglandin F2alpha isopropyl esterME7775900.781.18
5-Bromo-4-fluoro-2-nitrobenzaldehydeME7770871.080.94
Cholic acidME7767321.100.92
3-Methyl-2-oxopentanoic AcidME7771660.971.02
(3S)-5-[(1R,4As,5S,8aS)-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acidME7776210.861.11
8-iso Prostaglandin E2ME7770450.791.17
(2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acidME7776260.961.03
3-Methyladipic acidME7770220.921.07
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-oneME7770441.320.74
1,3-Bis(4-ethoxyphenyl)thioureaME7772150.841.13
2^-Deoxycytidine-5^-monophosphateME7772760.861.12
3-Amino-5-hydroxybenzoic acidME7767480.581.34
1-Benzyl-1H-pyrazol-5-ylamineME7769871.100.92
1-(4-Bromo-3-chlorophenyl)piperidineME7772061.001.00
2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acidME7775680.971.03
11-deoxy-16,16-dimethyl-PGE2ME7768851.090.93
16alpha,17-Isopropylidenedioxy-6alpha-methylprogesteroneME7775911.090.93
2,2^-Sulfonylbis(4-chlorophenol)ME7769821.070.95
4-Methylvaleric AcidME7768020.581.34
2-Chloro-5,6-dimethoxy-3-(2-naphthylthio)-p-benzoquinoneME7768260.981.02
2-Oxoadipic AcidME7770111.001.00
2-[[5-amino-1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioateME7775671.120.90
6-Chloropyridazine-3-sulfonyl fluorideME7770931.130.89
2-(1H-imidazol-5-yl)ethylazaniumME7775811.010.99
4-AminopyridineME7769140.691.26
5-Methyl-1,3-benzothiazol-2-amineME7771620.791.17
(2-hydroxyethyl)(triphenyl)phosphoniumME7776361.080.93
4-Chloro-N-(2-methoxy-5-methylphenyl)benzenesulfonamideME7768870.961.03
7-Acetylbaccatin IIIME7775160.961.03
(2S,4R)-2-azaniumyl-4-hydroxy-5-oxopentanoateME7776250.811.16
(4S)-6-chloro-8-hydroxy-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-oneME7776171.020.98
1-EthynylcyclohexanamineME7770240.961.03
6H-Indolo[2,3-b]quinolineME7770621.140.88
ChaksineME7769260.951.04
2,3-Dihydroxypropane-1-sulfonateME7772781.110.91
15(R)-Pinane Thromboxane A2ME7775920.891.09
2,4,5-Trichloro-6-methylpyrimidineME7767961.001.00
3,17-Androstanediol glucuronideME7775541.060.95
2-{[(2-Oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acidME7767690.911.08
2,8-QuinolinediolME7771480.861.11
2-(1H-Indol-3-ylmethylene)malononitrileME7767530.861.12
cis-Pinonic acidME7769340.821.15
AnchusinME7775001.120.90
(2R,3R)-6-Chloro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-oneME7776321.230.81
3-Hydroxyisobutyric AcidME7770941.040.97
7alpha-hydroxy-3-oxochol-4-en-24-oic AcidME7775120.841.13
1H-imidazol-3-ium-5-amineME7775881.320.73
4-Chloro-3-(trifluoromethyl)phenolME7768141.030.98
9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fgME7771940.941.05
2-(4-Hydroxyphenyl)ethanolME7769171.160.87
2-Butyl-4-chloro-1H-imidazole-5-carbaldehydeME7767201.240.80
2,3-Diacetoxy-7,8-epoxy-24,29-dinor-1,3,5-friedelatriene-20-carboxylic acidME7775850.581.34
2,4-Di-tert-butylphenolME7766811.020.98
2,5-Furandicarboxylic acidME7770101.160.87
4-NitrobiphenylME7766941.350.71
3,7-Dihydroxy-12-oxocholanoic acidME7770570.651.29
Cys-ProME7774690.911.07
[(2S)-1-oxo-1-phenylpropan-2-yl]azaniumME7773130.951.04
2-(4-Chlorobenzyl)-1H-benzimidazoleME7768750.901.08
7-Methoxy-4-(trifluoromethyl)coumarinME7768491.450.63
1,4-DimethylphenanthreneME7770720.981.02
2-Propylglutaric acidME7770051.210.83
15-OxoEDEME7772641.330.73
4-Chloro-8-methoxy-5H-pyrimido[5,4-b]indoleME7766741.180.85
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphateME7773140.911.08
(1R,13S,16S,22S)-1-hydroxy-7,7-dimethyl-13-(2-methylbut-3-en-2-yl)-6-oxa-12,14,20-triazahexacyclo[11.10.0.02,11.05,10.014,22.016,20]tricosa-2(11),3,5(10),8-tetraene-15,21-dioneME7776420.841.13
2^-deoxyguanosineME7775870.851.13
5-Aminovaleric AcidME7767950.991.01
[(1S,2S,3S,5S,8S,10S,14S)-2-Acetyloxy-5,10-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-methylpropanoateME7773180.891.09
2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetateME7775831.060.95
4-Hydroxyphenylacetylglutamic acidME7770410.911.07
2-hydroxyhexadecanoic acidME7767460.961.03
6-Chloropurine NucleosideME7771011.260.79
1,4-Piperazinediethanesulfonic acidME7768590.861.12
Adenosine-5^-phosphosulfateME7769270.671.27
1-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]propan-1-oneME7776020.871.10
Caribenolide IME7774760.871.11
7-ketolithocholic acidME7769400.701.25
4-Hydroxybenzoic AcidME7772401.090.93
5(Z),8(Z),11(Z)-Eicosatrienoic Acid-d6ME7775280.811.16
2^-Hydroxy-4,4^,6^-trimethoxychalconeME7769970.721.23
Aflatoxin B1ME7772370.891.09
ANISODAMINEME7768670.961.03
13-(2-Methylcrotonoyl)oxylupanineME7775940.881.10
2-(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acidME7769311.001.00
Asp-Tyr-Ile-GluME7774871.050.96
BendiocarbME7770710.871.10
2,4,6-TrichlorophenolME7767061.010.99
5-Methoxyindole-3-acetic acidME7769901.120.90
Asn-Pro-AspME7774920.951.04
(1Z,3E)-1-(2-aminophenyl)-6-hydroxy-5,6-dioxohexa-1,3-dien-1-olateME7776371.030.98
2-Phenyl-amino-N6-endo-norbornyladenineME7767130.711.24
Apocholic acidME7768030.641.29

Factors:

F1Status:non-sarcopenia
F2Status:sarcopenia
Data matrix
  logo