Clustering data with hclust algorithm for (Study ST003002)

(Analysis AN004930)
MetaboliteStructureF1F2
TrimethadioneME7773340.811.16
tert-butyl-[(1R)-1-(3-chlorophenyl)-1-hydroxypropan-2-yl]azaniumME7772940.811.16
Propylene glycolME7768530.811.16
Pivalic acidME7773650.811.16
Ethyl 3-sulfamoylbenzoateME7768370.811.16
Azelaic acidME7772170.811.16
AllysineME7775010.811.16
(2S,4R)-2-azaniumyl-4-hydroxy-5-oxopentanoateME7776250.811.16
5(Z),8(Z),11(Z)-Eicosatrienoic Acid-d6ME7775280.811.16
Pentadecanoic acidME7772850.801.16
O-Acetyl-L-homoserineME7767550.801.16
MilamelineME7771830.801.16
Methyl 2-{[(4-methoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateME7773950.801.16
MetalaxylME7772800.801.16
FonsecinME7769720.801.16
Ethyl 7-bromo-4-oxo-1,4-dihydro-3-quinolinecarboxylateME7771180.801.16
DL-LysineME7774650.801.16
6-Bromo-2-phenyl-4-quinolinecarboxylic acidME7770030.801.16
1,3,5,6-Tetrahydroxy-7-methoxyxanthen-9-oneME7776080.801.16
[(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
Nordihydroguaiaretic acidME7769190.801.17
N3^-AcetylneomycinME7773810.801.17
L-TryptophanME7771500.801.17
L-2-amino-6-oximelic acidME7767520.801.17
Diminazene AceturateME7766990.801.17
1,7-Dimethyluric acidME7769990.801.17
2-Chloro-1,1,1-trifluoroethaneME7767580.801.17
Tridecanoic acidME7768080.791.17
ThapsigarginME7767930.791.17
RiginME7773570.791.17
ArdisianoneME7767940.791.17
Allocholic acidME7770560.791.17
5-Methyl-1,3-benzothiazol-2-amineME7771620.791.17
8-iso Prostaglandin E2ME7770450.791.17
Combrestatin A4ME7772340.781.18
CarboxycelecoxibME7774770.781.18
Ac-Ser-Asp-Lys-Pro-OHME7775070.781.18
AcetylvalineME7770180.781.18
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
17-Trifluoromethylphenyltrinorprostaglandin F2alpha isopropyl esterME7775900.781.18
[(2R,3S,4R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateME7773150.781.18
BrimonidineME7768360.791.18
FusaproliferinME7774470.791.18
ZoniporideME7770640.841.13
SpectinomycinME7771310.841.13
PyrrolidineME7772180.841.13
NeamineME7769650.841.13
N-Acetyl-DL-glutamic acidME7772310.841.13
Metformin HClME7772460.841.13
ImiprothrinME7767740.841.13
FenazaquinME7772220.841.13
EthylmalonateME7768320.841.13
EpigallocatechinME7766790.841.13
Dipropyl hexanedioateME7774570.841.13
(+)-Abscisic AcidME7770880.841.13
7-tert-Butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dithioneME7769880.841.13
7alpha-hydroxy-3-oxochol-4-en-24-oic AcidME7775120.841.13
7,8-Dihydro-7,8-dihydroxykynurenateME7775180.841.13
5-Bromo-8-quinolinolME7772280.841.13
4-Oxatetradecanoic acidME7767670.841.13
4beta-Hydroxywithanolide EME7775290.841.13
3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic acidME7775400.841.13
3-Amino-2,3-dihydrobenzoic acidME7767070.841.13
2-OxosuberateME7775710.841.13
2-Hydroxy-2-methyl-3-oxobutanoic acidME7767800.841.13
2-ChloroticlopidineME7775760.841.13
(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
1-Naphthalenesulfonamide,N-(6-aminohexyl)-ME7767350.841.13
1-Dehydro-9-fluoro-11-oxotestololactoneME7776060.841.13
1,2-Bis(chloromethoxy)ethaneME7771960.841.13
1,3-Bis(4-ethoxyphenyl)thioureaME7772150.841.13
Malathion monocarboxylic acidME7774000.851.13
FFA(18:0)ME7768540.851.13
Cytochalasin OphoME7774680.851.13
Adipic AcidME7772130.851.13
9-(Methylthio)nonanenitrileME7775080.851.13
(2-{2-[(3-Methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acidME7776350.851.13
2^-deoxyguanosineME7775870.851.13
Triclopyr-2-butoxy ethyl esterME7768000.851.12
RetamineME7770910.851.12
PyrrhoxanthinolME7773610.851.12
PolythiazideME7769910.851.12
[Des-Tyr1] beta-Casomorphin,bovineME7773050.851.12
Chrysanthemic acidME7774740.851.12
2,4-QuinolinediolME7767150.851.12
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazineME7768160.851.12
(S)-3-Methyl-2-oxopentanoic acidME7776140.821.15
Palmitoleic acidME7769730.821.15
N-{4-[Acetyl(methyl)amino]phenyl}-2-chloroacetamideME7769480.821.15
MequitazineME7770350.821.15
Lucidenic acid KME7774060.821.15
L-PhenylalanineME7768130.821.15
cis-Pinonic acidME7769340.821.15
Byssochlamic acidME7767640.821.15
7-Ketodeoxycholic acidME7766950.821.15
7-(2-Thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acidME7767920.821.15
10-(beta-Dimethylaminopropionyl)phenothiazineME7768070.821.15
3-(Octylsulfanyl)propanoic acidME7767860.821.15
Thiodiacetic acid sulfoxideME7770010.811.15
Ser-Leu-Ser-Gly-LeuME7773510.811.15
Bis-D-fructose 2^,1:2,1^-dianhydrideME7769860.811.15
CelastrolME7769980.811.15
6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehydeME7770670.821.14
Asp-Asp-GluME7774900.831.14
Asn-Asp-Glu-ArgME7774950.831.14
5-O-p-Coumaroylquinic acidME7771120.831.14
4-Benzyloxy-2^-hydroxy-3^,4^,5^,6^-tetramethoxychalconeME7775340.831.14
2-Oxovaleric AcidME7771160.831.14
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-(2,4-Difluorophenyl)pyrrolidineME7768980.831.14
1-radyl-2-acyl-sn-glycero-3-phosphocholineME7775980.831.14
[(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
11-Deoxocucurbitacin IME7766730.831.14
1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanoneME7776100.831.14
Trichloroacetic acidME7767500.911.07
SuccinylprolineME7768100.911.07
PolydatinME7770470.911.07
Phe-Ile-Asp-Leu-AsnME7773670.911.07
N-(2-aminoethyl)-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamideME7773860.911.07
MatteucinolME7773990.911.07
Frangulin BME7771770.911.07
Endothal dimethyl esterME7774540.911.07
Cys-ProME7774690.911.07
Clavamycin BME7774730.911.07
CamptothecinME7767420.911.07
BuprenorphineME7768960.911.07
Ala-Asp-IleME7775020.911.07
5-(3,5-Dinitrophenyl)-1,3,4-thiadiazol-2-amineME7772550.911.07
4-Hydroxyphenylacetylglutamic acidME7770410.911.07
(3S)-3-Hydroxy-L-enduracididineME7776220.911.07
(3R,4S,5R)-4,5-dihydroxy-3-phosphonatooxycyclohexene-1-carboxylateME7776230.911.07
2-Amino-4,6-dichloropyrimidine-5-carbaldehydeME7768600.911.07
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
2,3,5-Trichloro-cis,cis-muconateME7775860.911.07
TributyrinME7768340.921.07
TetrahydrodipicolinateME7773400.921.07
Pyrazino[1^,2^ME7769440.921.07
PteridineME7766970.921.07
Phosphoric acidME7767440.921.07
N-AcetylaspartateME7766700.921.07
N-1,3-Benzothiazol-2-yl-3-oxobutanamideME7769380.921.07
FFA(14:0)ME7768780.921.07
Cyclopassifloic acid BME7774710.921.07
CitalopramME7768380.921.07
ActaraME7771490.921.07
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
4-Amino-N-(2,6-dimethylphenyl)benzamideME7767370.921.07
3-Methyladipic acidME7770220.921.07
3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-oneME7771580.921.07
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acidME7775480.921.07
3,4-Dichloro-N-(4-methylbenzyl)benzamideME7775530.921.07
2,5-HexanedioneME7772520.921.07
[(1R,2R,5R,9S,17S)-6-Oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetateME7773220.921.07
1-Fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzeneME7776050.921.07
1-(Pyrimidin-2-yl)-1,4-diazepaneME7770900.921.07
Thr-ArgME7771990.941.05
ThiobinupharidineME7770250.941.05
Sebacic acidME7772480.941.05
N-Heptanoylhomoserine lactoneME7771200.941.05
Methyl(9Z)-8^-oxo-6,8^-diapo-6-carotenoateME7773920.941.05
Macrocarpal BME7774010.941.05
HercynineME7768860.941.05
Flavidulol CME7774490.941.05
Donepezil HClME7772230.941.05
Asp-Gly-LysME7774890.941.05
9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fgME7771940.941.05
6-Bromo-2-chloroquinoline-3-carboxaldehydeME7767700.941.05
2-Pyrimidinecarboxamide,hexahydro-N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-ME7770980.941.05
1,1-DichloroethaneME7767590.941.05
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enolME7776010.941.05
Phe-Trp-TrpME7773660.931.05
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenolME7767220.931.05
5-Bromo-3-nitropyridine-2-carbonitrileME7768510.931.05
Vinyl chlorideME7767600.931.06
Val-Glu-Thr-GluME7773280.931.06
UrobilinogenME7771650.931.06
StebisimineME7773460.931.06
PicoxystrobinME7772330.931.06
MonohydroxyperhexilineME7773890.931.06
Hemibrevetoxin BME7772200.931.06
Didecyl hydrogen phosphateME7767380.931.06
CabergolineME7767310.931.06
AmsacrineME7769050.931.06
4-Methoxyphenylacetic acidME7772720.931.06
2-Methylsuccinic AcidME7769240.931.06
2,4-Dichlorophenoxyacetic acidME7771520.931.06
1-Methyluric acidME7767820.931.06
1-Myristoyl-2-hydroxy-sn-glycero-3-phosphoethanolamineME7772160.931.06
Ser-Ile-Phe-GluME7773520.921.06
Palmitic acid alkyneME7766710.921.06
GuanosineME7772320.921.06
DinitramineME7770360.921.06
(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
D-Arabinono-1,4-lactoneME7770430.921.06
ZygadenineME7768770.901.08
Tyr-Glu-Gln-AspME7773300.901.08
(-)-RiboflavinME7767230.901.08
PinoresinolME7769250.901.08
N-(2-Methoxyphenyl)-2-pyridinecarbimidothioic acidME7772020.901.08
LPE(16:0/0:0)ME7774200.901.08
Indomethacin N-octyl amideME7774270.901.08
EthidimuronME7770270.901.08
Dihydrocelastryl diacetateME7774590.901.08
cis-(Homo)3-aconitateME7773010.901.08
BenzofuranME7774830.901.08
Asparagusic acid syn-S-oxideME7774860.901.08
7-Bromo-5-fluoro-1H-indole-2,3-dioneME7769710.901.08
[(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphateME7773090.901.08
6^-Oxogentamicin X2ME7775240.901.08
6-Methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dioneME7769590.901.08
5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-amineME7770140.901.08
2,6-DibromophenolME7768280.901.08
2-(4-Chlorobenzyl)-1H-benzimidazoleME7768750.901.08
12-Methyltetradecanoic acidME7775950.901.08
17alpha-EthinylestradiolME7768520.901.08
LPE(18:1/0:0)ME7774180.911.08
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphateME7773140.911.08
2-{[(2-Oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acidME7767690.911.08
2-Bromo-N-(2-thienylmethyl)acetamideME7767040.911.08
WestiellamideME7772030.891.09
uridineME7768460.891.09
TriclopyrME7768690.891.09
Tetradecanedioic acidME7767280.891.09
OvalicinME7773760.891.09
N-StearoyltaurineME7768110.891.09
N-Allyl-N^-(3-chlorophenyl)thioureaME7771760.891.09
Mevalonic acid 5-pyrophosphateME7771590.891.09
MetaldehydeME7772580.891.09
Lysopc 16:0ME7771250.891.09
L-HomoarginineME7771440.891.09
Glu-Lys-Leu-Thr-HisME7774430.891.09
Convallagenin AME7771270.891.09
Aflatoxin B1ME7772370.891.09
6,8a-Seco-6,8a-deoxy-5-oxoavermectin^^1b^^ aglyconeME7775210.891.09
[(4-Methoxybenzyl)sulfanyl]acetic acidME7769890.891.09
2-(N-Benzylamino)-5-chloro-3-fluoropyridineME7772820.891.09
2^-DeoxyuridineME7766840.891.09
2,6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purineME7770970.891.09
2,3-Diphenyl-1-indanoneME7771170.891.09
(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
[(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
1-Isopropyl citrateME7776030.891.09
15(R)-Pinane Thromboxane A2ME7775920.891.09
1-HydroxycarvedilolME7776040.891.09
Pentadecafluorooctanoic AcidME7770000.901.09
His-Gln-Val-LysME7774350.901.09
Bis(4-fluorophenyl)methanoneME7769930.901.09
Deoxysappanone B 7,3^-dimethyl etherME7774620.901.09
SimvastatinME7767340.861.11
(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
3alpha,12alpha-Dihydroxy-5beta-chol-6-enoateME7775380.861.11
12-ketolithocholic acidME7769030.861.11
2,8-QuinolinediolME7771480.861.11
TofisopamME7770730.861.12
QuinidineME7768630.861.12
ParamethadioneME7773700.861.12
N-hydroxy-9-methylsulfanylnonanethioamideME7773820.861.12
N-[2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamideME7772420.861.12
Leu-Asn-Arg-GluME7774150.861.12
6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindiniumME7775220.861.12
3-Sulfodeoxycholic acidME7775430.861.12
(2E)-3,7-dimethylocta-2,6-dienoateME7776340.861.12
2^-Deoxycytidine-5^-monophosphateME7772760.861.12
1,4-Piperazinediethanesulfonic acidME7768590.861.12
2-(1H-Indol-3-ylmethylene)malononitrileME7767530.861.12
TetrahcaME7773410.881.10
SubericacidME7769130.881.10
StercobilinME7769960.881.10
MiserotoxinME7770580.881.10
Latanoprost-d4ME7774160.881.10
Hexadecanedioic acidME7769120.881.10
DapiprazoleME7774640.881.10
Cys-Leu-ThrME7774700.881.10
BenzoylagmatineME7774820.881.10
4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiolME7767710.881.10
3-Mercapto-1-hexanolME7775450.881.10
13-(2-Methylcrotonoyl)oxylupanineME7775940.881.10
(2R)-2-amino-3-sulfinatopropanoateME7776330.881.10
(S)-MalateME7776130.871.11
Ribociclib (LEE011)ME7772210.871.11
ReproterolME7768820.871.11
QuinoxalineME7773600.871.11
Pro-Pro-Ala-Ala-IleME7773630.871.11
PomalidomideME7771100.871.11
keratan sulfate IME7772980.871.11
epsilon-RhodomycinoneME7770890.871.11
Cholic acid methyl esterME7771690.871.11
Caribenolide IME7774760.871.11
Bis(2-ethylhexyl) phthalateME7772360.871.11
beta-Alanine,N-[2-[(3-hexylphenyl)amino]-2-oxoethyl]-ME7771980.871.11
Arg-Met-LysME7774960.871.11
AminoguanidineME7771080.871.11
3-phenylbutyric acidME7769450.871.11
1,2,3,4-Tetrahydro-1-naphthylamineME7770760.871.11
16-Hydroxyhexadecanoic acidME7769100.871.11
Triethylene glycol methyl ether methacrylateME7770590.871.10
Triethylene glycol diglycidyl etherME7771050.871.10
SulpirideME7771420.871.10
Sphingosine 1-phosphateME7770480.871.10
Phe-Ala-Thr-Asp-AspME7773680.871.10
N-[1-Oxo-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propyl]glycineME7772450.871.10
BendiocarbME7770710.871.10
Asn-His-OHME7774930.871.10
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
1,5-IsoquinolinediolME7769020.871.10
(S)-Pterosin KME7776120.951.04
Pantothenic acidME7767360.951.04
(N-Sulfoindol-3-yl)methylglucosinolateME7770320.951.04
N-(3-Bromophenyl)-7H-purin-6-amineME7771280.951.04
N-(2-Phenylethyl)-N^-(2-pyridinyl)thioureaME7768760.951.04
Lys-Ser-Thr-Leu-ThrME7774030.951.04
LPE(16:1/0:0)ME7774190.951.04
Lappaol CME7774170.951.04
GlyfolineME7774360.951.04
Deoxycholic acidME7767250.951.04
ChaksineME7769260.951.04
Asn-Pro-AspME7774920.951.04
4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-,(S)-ME7775300.951.04
[(2S)-1-oxo-1-phenylpropan-2-yl]azaniumME7773130.951.04
28-HomobrassinolideME7775570.951.04
2,3^,5-TrichlorobiphenylME7769690.951.04
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanoneME7769530.951.04
1-Cyclohexyl-6,7-difluoro-1,3-benzodiazoleME7771920.951.04
1-MethylxanthineME7770400.951.04
o-ChloroacetanilideME7768880.961.04
MoclobemideME7767810.961.04
Leu-Glu-Ile-GluME7774140.961.04
Isovaleric acidME7769150.961.04
Austalide IME7774840.961.04
Ile-Phe-Asp-ArgME7774290.961.04
Tivozanib (AV-951)ME7769300.961.03
N-[5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamideME7773830.961.03
N-(4-Methoxyphenyl)-2-nitro-1-benzothiophen-3-amineME7771570.961.03
Melithiazole EME7773980.961.03
Loganic acidME7770740.961.03
InosineME7770340.961.03
Hyodeoxycholic acidME7767240.961.03
[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphateME7773030.961.03
Gentian VioletME7767630.961.03
Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateME7770280.961.03
ANISODAMINEME7768670.961.03
7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-trimethoxy-4H-chromen-4-oneME7775140.961.03
7-Acetylbaccatin IIIME7775160.961.03
4-Chloro-N-(2-methoxy-5-methylphenyl)benzenesulfonamideME7768870.961.03
3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)-1lambda-Chromen-1-YliumME7775510.961.03
(2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acidME7776260.961.03
2-hydroxyhexadecanoic acidME7767460.961.03
2-Chloro-N-(4-chlorophenyl)acetamideME7770040.961.03
1-EthynylcyclohexanamineME7770240.961.03
[(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
VerruculogenME7772100.971.03
Phenyl 1-piperidinecarboxylateME7771350.971.03
Palmitic acidME7768550.971.03
N-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(p-tolyl)methanesulfonamideME7766920.971.03
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
4-Methyl-2-methylene-1-(1methylethylidene)-cyclohexaneME7775310.971.03
MethanedithiolME7773970.981.02
Lithocholic acidME7769520.981.02
Ile-Asp-Tyr-LysME7774310.981.02
Dibutyl adipateME7772680.981.02
Dehydro-L-(+)-ascorbic acid dimerME7767750.981.02
Cabozantinib (XL184,BMS-907351)ME7767180.981.02
BenzhydrolME7766980.981.02
Benazepril hydrochlorideME7767120.981.02
Asn-Thr-Gln-GluME7774910.981.02
Ala-Ala-Gln-Asn-LeuME7775050.981.02
9,10-Dihydroergocornine methanesulfonateME7771750.981.02
4-(4-Fluoroanilino)-4-oxobutanoic acidME7771020.981.02
2-Chloro-5,6-dimethoxy-3-(2-naphthylthio)-p-benzoquinoneME7768260.981.02
2-(2-pyridyl)-4-methyl-Thiazole-5-Carboxylic AcidME7769940.981.02
2-(1H-1,2,4-Triazol-5-yl)-1H-isoindole-1,3(2H)-dioneME7768390.981.02
(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
[(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
[(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
1,4-DimethylphenanthreneME7770720.981.02
1-(6-Chloropyridin-2-yl)piperazineME7767110.981.02
TrimethaphanME7773330.971.02
Tingenin BME7773360.971.02
NitazoxanideME7768650.971.02
N-(2-Chloro-5-nitrophenyl)acetamideME7769600.971.02
Leu-Phe-Ala-GluME7774110.971.02
HypoxanthineME7767900.971.02
diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azaniumME7773000.971.02
Ala-Asp-Arg-ArgME7775030.971.02
3-Methyl-2-oxopentanoic AcidME7771660.971.02
3-[(5E)-5-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acidME7775420.971.02
3,4-Dimethyl-5-pentyl-2-furanundecanoic acidME7775520.971.02
2H-1-Benzopyran-2-one,6,7-dimethoxy-8-(3-methyl-2-butenyl)-ME7775560.971.02
3-(4-Bromophenyl)-7-hydroxy-4H-chromen-4-oneME7766800.971.02
Thiamine disulfideME7773390.991.01
(S)-O-Desmethyl NaproxenME7772870.991.01
Orotidylic acidME7770840.991.01
N-NitrosomethylvinylamineME7769460.991.01
MorphiceptinME7773880.991.01
Mitraphyllic acidME7773900.991.01
GlycolaldehydeME7771790.991.01
GlcNAc1-3Gal1-4GlcNAcSpME7774450.991.01
Dapsone hydroxylamineME7770080.991.01
CoprineME7768410.991.01
7-Hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-oneME7770260.991.01
5-Bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-oneME7767830.991.01
5-Aminovaleric AcidME7767950.991.01
(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
2-Phosphoglycolic AcidME7772050.991.01
2-[(6-Chloro-3-pyridyl)methylthio]ethylamineME7772540.991.01
2,5-Dihydro-2,4,5-trimethyloxazoleME7775820.991.01
1-Heptadecanoyl-sn-glycero-3-phosphocholineME7769070.991.01
2-{2-[2-(Acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl acrylateME7766890.991.01
xi-7-Hydroxyhexadecanedioic acidME7772920.981.01
SpongothymidineME7768300.981.01
SolasodineME7772110.981.01
D-QuinovoseME7767450.981.01
Camphoric acidME7774790.981.01
ButylalphamanME7774800.981.01
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoateME7768730.981.01
Benzoyl chlorideME7766760.981.01
(S)-tert-Butyl 2-((tosyloxy)methyl)morpholine-4-carboxylateME7771601.080.93
(Phenoxymethyl)penicilloic acidME7772691.080.93
Indole-3-lactic acidME7771151.080.93
HydroxyatrazineME7770831.080.93
(2-hydroxyethyl)(triphenyl)phosphoniumME7776361.080.93
3-MethylbenzaldehydeME7768201.080.93
TrimethylenetetraureaME7773321.080.94
ChlorophacinoneME7769751.080.94
9,10-DihydroxystearateME7772241.080.94
6-Bromo-2-(thiophen-2-yl)quinoline-4-carboxylic acidME7770021.080.94
4,6-Dimethyl-3,7-diphenyl-2,8-dioxo-2H,8H-benzo(1,2-bME7775351.080.94
5-Bromo-4-fluoro-2-nitrobenzaldehydeME7770871.080.94
Methyl celluloseME7773931.070.94
Methyl 5-[(2,4-dichlorophenoxy)methyl]-2-furoateME7769811.070.94
Methyl 2-[(1R,2S,5R,6R,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetateME7771111.070.94
LenacilME7770821.070.94
hydrogen sulfiteME7772991.070.94
HSO3-ME7771531.070.94
D-MannoseME7769921.070.94
Arg-Glu-Asp-ArgME7774981.070.94
3-Hydroxy-5Z-octenyl acetateME7775461.070.94
2-PentylthiazolidineME7775701.070.94
11-Ketofusidic acidME7775961.070.94
1-Nitro-2-phenoxybenzeneME7770771.070.94
L-Leucyl-L-AlanineME7767731.070.95
2,2^-Sulfonylbis(4-chlorophenol)ME7769821.070.95
Dinoprost tromethamineME7769681.070.95
Zinc lactateME7771391.050.96
PG(18:1(9Z)/0:0)ME7773711.050.96
Nor-ketotifenME7773781.050.96
LPC(0:0/18:2)ME7774211.050.96
HydralazineME7767161.050.96
EnalaprilME7767511.050.96
DL-Indole-3-lactic acidME7767211.050.96
Diethyl (4-chlorophenyl)(hydroxy)methylphosphonateME7770951.050.96
Curtisian OME7774721.050.96
Asp-Tyr-Ile-GluME7774871.050.96
[(5-Mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acidME7768841.050.96
4-Dodecyloxy-2-hydroxybenzophenoneME7770311.050.96
(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
[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenyl]oxidanesulfonic acidME7773061.050.96
[3-(2-hydroxyethyl)-1H-indol-5-yl] sulfateME7773081.050.96
[(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
[(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
2,4-Dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamideME7766931.050.96
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanoneME7770371.050.96
17alpha-ChloroethynylestradiolME7775891.050.96
1-MonopalmitinME7768801.050.96
8-HydroxyquinolineME7771611.050.95
Varanic acidME7773271.060.95
Thiosulfuric acidME7771891.060.95
Semilepidinoside AME7773551.060.95
Pregnanolone SulphateME7773641.060.95
PiperacillinME7768231.060.95
OxyfluorfenME7769561.060.95
NorambreinolideME7768581.060.95
Nitrogen chloride (NCl3)ME7773791.060.95
NefopamME7771911.060.95
N-acetyl-S-geranylgeranyl-L-CysteineME7771851.060.95
LoperamideME7768891.060.95
Fenothiocarb sulfoxideME7772741.060.95
Chloramphenicol sodium succinateME7766751.060.95
Bromothymol blueME7767491.060.95
Aminodiphenylacetic acidME7770191.060.95
Aflatoxin G2ME7767771.060.95
4,5-Dihydroxybenzene-1,2-dicarboxylic acidME7768061.060.95
3-Hydroxycapric acidME7771061.060.95
3-DecanoneME7775471.060.95
3,17-Androstanediol glucuronideME7775541.060.95
2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetateME7775831.060.95
1,2-DimethylimidazoleME7771241.060.95
1-(2-Fluorobenzyl)-4-(methylsulfonyl)piperazineME7768351.060.95
ZiprasidoneME7771641.001.00
Valnemulin HClME7772011.001.00
P-chlorophenylalanineME7767661.001.00
OxibendazoleME7770961.001.00
N-Acetyl-D-fucosamineME7773841.001.00
MerazolamME7767171.001.00
MeclofenoxateME7769061.001.00
Leu-Leu-Leu-Ala-AlaME7774121.001.00
Indole-4-carboxaldehydeME7772601.001.00
Hendecanoic Acid/Undecanoic Acid(C11:0)ME7772441.001.00
Gln-Ile-IleME7774441.001.00
FebantelME7768431.001.00
EnceniclineME7768711.001.00
D-Xylono-1,4-lactoneME7774671.001.00
Dihydroconiferyl alcoholME7770681.001.00
Dermatan 4-SulphateME7774611.001.00
ClopyralidME7771291.001.00
Asp-Phe-Ser-ArgME7774881.001.00
Arg-Gly-Glu-Val-LeuME7774971.001.00
5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocinME7775271.001.00
4-Bromo-N-cyclohexyl-5-methoxy-2-nitroanilineME7771931.001.00
(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methanolME7766881.001.00
3-(3,3,3-Trifluoropropylsulfanyl)propanoic acidME7766831.001.00
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphateME7773041.001.00
2-Oxoadipic AcidME7770111.001.00
2,6-Dimethoxy-3-pyridinylboronic acidME7770791.001.00
2,4,5-Trichloro-6-methylpyrimidineME7767961.001.00
2-(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acidME7769311.001.00
1-(4-Bromo-3-chlorophenyl)piperidineME7772061.001.00
(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
Succinic acid-2,2,3,3-d4ME7771680.991.00
4-(Chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-oneME7771380.991.00
4-Androsten-17beta-ol-3-one sulfateME7767970.991.00
2-O-(alpha-D-Mannosyl)-D-glycerateME7775730.991.00
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-yloxyoxan-2-yl]methoxy]propanoateME7775390.991.00
phosphono dihydrogen phosphateME7772951.020.99
IsodonalME7771301.020.99
Indole-3-carboxylic acidME7767411.020.99
Ile-HoPhe-OHME7774301.020.99
FAA(18:1)ME7769091.020.99
DL-CitrullineME7768151.020.99
ChamazuleneME7768911.020.99
(4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acidME7776201.020.99
4-Nitro-N-(2-pyrimidinyl)benzenesulfonamideME7770631.020.99
tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylateME7770781.010.99
ShanzhisideME7773491.010.99
Ser-Ser-Gly-Arg-SerME7773501.010.99
PhosaloneME7767271.010.99
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))ME7773721.010.99
His-Leu-Thr-LysME7774341.010.99
Gly-Pro-GluME7774381.010.99
GaboxadolME7768011.010.99
DL-b-Hydroxycaprylic acidME7771741.010.99
DihydrocitronellalME7774581.010.99
DemethyldecarbamoylnovobiocinME7774631.010.99
6,10,14-Trimethyl-2-methylenepentadecanalME7775231.010.99
(4-Chlorophenyl)ureaME7771811.010.99
(2S)-2-azaniumyl-4-oxidophosphonoylbutanoateME7776291.010.99
2-Aminoethanesulfonic acidME7772611.010.99
2,4-Dihydro-4-(phenylmethyl)-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thioneME7767651.010.99
2,4-Dichlorobenzyl imidothiocarbamateME7772041.010.99
2,4-DiaminotolueneME7766851.010.99
2,4,6-TrichlorophenolME7767061.010.99
2-(1H-imidazol-5-yl)ethylazaniumME7775811.010.99
12-Hydroxydodecanoic acidME7769111.010.99
1-MethylnicotinamideME7770151.010.99
Octyl alpha-ketoglutarateME7767091.011.00
Ganoderol AME7774461.011.00
3,5-Dibromo-4-hydroxyphenylpyruvateME7775501.011.00
8-Amino-7-oxononanoic acidME7769361.011.00
Tolterodine tartrateME7772121.030.98
TestolactoneME7773421.030.98
INDOLE-3-ACETATEME7770611.030.98
DimepranolME7768471.030.98
Caffeic acid 3-glucosideME7770541.030.98
Benzoic AcidME7767981.030.98
Ac-Yvad-choME7771711.030.98
{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
4-HydroxymandelonitrileME7775321.030.98
4H-Pyrrolo[3,2-c]pyridin-4-one,1,5,6,7-tetrahydro-2-[2-(3-quinolinyl)-4-pyridinyl]-ME7767761.030.98
4-Chloro-3-(trifluoromethyl)phenolME7768141.030.98
2-Oxo-10-methylthiodecanoic acidME7775721.030.98
2-Dodecenedioic acidME7768041.030.98
(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
(1Z,3E)-1-(2-aminophenyl)-6-hydroxy-5,6-dioxohexa-1,3-dien-1-olateME7776371.030.98
Sulfuric acidME7767431.020.98
N6-Carbamoyl-DL-LysineME7773801.020.98
MonuronME7771551.020.98
MethylphosphateME7773911.020.98
Methyl 5-bromo-3-pyrrolecarboxylateME7771371.020.98
Lucidenic acid D1ME7774071.020.98
L-RhamnoseME7769831.020.98
Glycine deoxycholic acidME7774371.020.98
Bisphenol A glycidylmethacrylateME7771431.020.98
Adouetine XME7771041.020.98
Acetic acidME7768051.020.98
(4S)-6-chloro-8-hydroxy-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-oneME7776171.020.98
2-(trimethylazaniumyl)ethyl phosphateME7775791.020.98
2-Phenylethyl beta-D-glucopyranosideME7775691.020.98
2-MethylbutyraldehydeME7766821.020.98
2-Iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamideME7775741.020.98
2-Chloro-N-(1,3,4-thiadiazol-2-yl)acetamideME7769491.020.98
2-(1-Piperidinyl)-1H-benzimidazoleME7770381.020.98
2,4-Di-tert-butylphenolME7766811.020.98
VinpocetineME7769551.030.97
Secoeremopetasitolide BME7773561.030.97
Riesling acetalME7773581.030.97
PyrenophorolME7770751.030.97
NeurosporaxanthinME7770551.030.97
Ile-Arg-Asn-AspME7774321.030.97
Gly-Leu-ArgME7774401.030.97
6-{[6-(2-carboxyethyl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidME7775191.030.97
7-Sulfocholic acidME7775151.030.97
SlaframineME7771001.040.97
RipazepamME7770501.040.97
Pyrithione zincME7771971.040.97
p-MethoxytodadiolME7772961.040.97
Phenol glucuronideME7771211.040.97
Paspaline BME7773691.040.97
OrtophosphateME7773771.040.97
Methyl Indole-3-AcetateME7773941.040.97
Isoproterenol sulfate dihydrateME7770301.040.97
IndoleacetaldehydeME7770511.040.97
Indole-3-carbinolME7767841.040.97
FloctafenineME7770661.040.97
Firefly luciferinME7770521.040.97
EremopetasidioneME7774531.040.97
(E)-4-Methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pent-2-enamideME7776151.040.97
Desipramine HydrochlorideME7768481.040.97
CostatolME7768121.040.97
Ceanothine BME7771071.040.97
5-O-FeruloylnigruminME7775251.040.97
4-Chloro-7-fluoropyrrolo[1,2-a]quinoxalineME7771901.040.97
3-Hydroxyisobutyric AcidME7770941.040.97
3-(4-hydroxyphenyl)acrylaldehydeME7770531.040.97
2,6-Dibromo-4-nitroanilineME7767261.040.97
1,2,3-Tris(chloromethoxy)propaneME7769671.040.97
1-Hexadecyl lysophosphatidic acidME7768931.040.97
Retinoyl beta-glucuronideME7769611.040.96
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME7773731.040.96
MidodrineME7769571.040.96
Methyl 2-bromobenzo[d]thiazole-6-carboxylateME7772791.040.96
MethazolamideME7768681.040.96
FenoldopamME7771411.040.96
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylateME7768951.040.96
2-Amino-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrileME7772271.040.96
3-Hydroxymyristic acidME7771031.040.96
SulfateME7773441.090.93
IndoleME7772261.090.93
Ethyl 2,4-dioxohexanoateME7774521.090.93
DodecamethylpentasiloxaneME7771781.090.93
Dimethyl azelateME7771261.090.93
Calcium carbimideME7771451.090.93
5-Chloro-1,2,4-trihydroxybenzeneME7772291.090.93
4-Hydroxybenzoic AcidME7772401.090.93
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acidME7775601.090.93
2-{1-[(2-Methoxy-5-pyrimidinyl)methyl]-3-piperidinyl}-6-(2-thienyl)-4-pyrimidinolME7775611.090.93
17alpha-HydroxypregnenoloneME7769661.090.93
11-deoxy-16,16-dimethyl-PGE2ME7768851.090.93
16alpha,17-Isopropylidenedioxy-6alpha-methylprogesteroneME7775911.090.93
Tricarballylic acidME7766721.090.92
N-(3-Bromo-4-chlorophenyl)-2-(4-ethylphenoxy)acetamideME7768921.090.92
1,2,4,5,7,8-HexathionaneME7776091.090.92
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acidME7770201.090.92
27-Deoxy-5alpha-cyprinolME7775581.100.91
(Z)-DimethylvinphosME7767911.100.92
ThiosulfateME7773381.100.92
N-[(4-Methylphenyl)sulfonyl]benzencarbothioamideME7772671.100.92
Cholic acidME7767321.100.92
Carfentrazone-ethylME7772081.100.92
Bromodeoxyuridine (BrdU)ME7768401.100.92
Boc-DArg-Gly-Arg-CHOME7774811.100.92
Atipamezole hydrochlorideME7772711.100.92
Asn-Glu-IleME7774941.100.92
(4S,4As,7aS)-4,7-bis(hydroxymethyl)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-3-oneME7776161.100.92
4-Oxododecanedioic acidME7770171.100.92
3-(2,5-dimethoxyphenyl)propanoic acidME7775491.100.92
(2S)-2,3-bis(azaniumyl)propanoateME7776301.100.92
[(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
2,3-EpoxymenaquinoneME7775841.100.92
22-HydroxydocosanoateME7775591.100.92
[(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
12,13-DiHOMEME7770491.100.92
1-Benzyl-1H-pyrazol-5-ylamineME7769871.100.92
Oxymetazoline hydrochlorideME7773751.130.89
Lys-Lys-OHME7774041.130.89
FlunarizineME7768971.130.89
6-Chloropyridazine-3-sulfonyl fluorideME7770931.130.89
4-Ethyloctanoic acidME7771361.130.89
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME7775411.130.89
2-[hydroxy(oxido)arsoryl]acetateME7775661.130.89
2-amino-3-hydroxybenzoateME7775651.130.89
[(2-Bromobenzoyl)amino]acetic acidME7767301.130.89
Ethyl furoateME7774511.140.89
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenolME7770131.140.89
1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diolME7772661.140.89
3-EthylphenolME7768211.140.89
ZalcitabineME7767621.140.88
DoxapramME7770161.140.88
[(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
6H-Indolo[2,3-b]quinolineME7770621.140.88
(卤)-3-Hydroxynonanoic acidME7776111.120.90
Isodeoxycholic acidME7768571.120.90
AnchusinME7775001.120.90
9(10H)-Acridinone,1,4,5-trihydroxy-3,6-dimethoxy-10-methyl-ME7775111.120.90
9,10,13-TriHOMEME7775101.120.90
5-Methoxyindole-3-acetic acidME7769901.120.90
4-[(4-Bromo-3-methylphenyl)sulfonyl]morpholineME7769701.120.90
15(S)-HETrEME7766911.120.90
2-[[5-amino-1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioateME7775671.120.90
Atrolactic acidME7774851.130.90
2-(1,3,4-Thiadiazol-2-ylsulfanyl)acetic acidME7768901.130.90
3-(3-Hydroxyphenyl)Propionate AcidME7768181.130.90
TerpentecinME7772841.120.91
Sudan IME7767191.110.91
p-HydroxybenzyldesulphoglucosinolateME7772971.110.91
Orphenadrine CitrateME7769391.110.91
Lovastatin hydroxy acidME7767561.110.91
Licoriisoflavan AME7774091.110.91
IcaceineME7767611.110.91
D-GlucuronolactoneME7770091.110.91
2,3-Dihydroxypropane-1-sulfonateME7772781.110.91
Ala-Ala-Pro-Val-chloromethylketoneME7775041.110.91
P-HydroxyphenylacetylglycineME7770391.200.84
Luciferyl sulfateME7774051.200.84
HelicinME7768221.200.84
Ethyl 6,7-dichloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylateME7768291.200.84
3-(4-Hydroxyphenyl)-Propionic AcidME7769161.200.84
12-Hydroxyoctadecanoic acidME7772631.200.84
(2Z)-2-Cyano-4-(beta-D-glucopyranosyloxy)but-2-en-1-yl 4-hydroxy-3-methoxybenzoateME7776241.200.84
Urolithin AME7772391.190.84
(5Z)-5-{[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dioneME7767011.190.84
2-Hydroxy-3-methylbutyric acidME7771231.190.84
3-[5-(4-Pyridinyl)-4H-1,2,4-triazol-3-yl]pyridineME7769791.190.84
TxB3 [9alpha,11,15S-trihydroxythromba-5Z,13E,17Z-trien-1-oic acid]ME7767791.210.83
N,N-Dimethyl-4-(6-methylbenzo[d]thiazol-2-yl)anilineME7772811.210.83
FFA(18:2)ME7768331.210.83
2-Propylglutaric acidME7770051.210.83
(2S)-LiquiritigeninME7776271.210.83
N-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-2-chloroacetamideME7768251.200.83
N-(3-Bromophenyl)cyclohexanecarboxamideME7769471.200.83
MetsulfovaxME7770861.200.83
5-Hydroxyindole-3-Acetic AcidME7768831.200.83
6-Bromo-4-chloro-2-phenylquinolineME7767141.200.83
OxypyrithiamineME7773741.160.87
Glutathione episulfonium ionME7774411.160.87
FenpropathrinME7769641.160.87
Dibenzyl TrisulfideME7767991.160.87
9(S),12(S),13(S)-TriHOMEME7766781.160.87
4-[3-(Trifluoromethyl)phenoxy]butanoic acidME7767101.160.87
[(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
2,5-Furandicarboxylic acidME7770101.160.87
2-(4-Hydroxyphenyl)ethanolME7769171.160.87
2,5-DiaminotolueneME7766861.160.87
ThonzylamineME7773371.150.88
n5-Iminoethyl-l-ornithineME7769761.150.88
FFA(18:1)ME7772431.150.88
Calcium DobesilateME7770991.150.88
8-Cyclopentyl-1,3-dimethylxanthineME7769851.150.88
1,3-DiacetylpropaneME7776071.150.88
2-Chloro-N-(2-hydroxyphenyl)nicotinamideME7772831.150.88
NitroarginineME7770851.150.87
Sulfolithocholic acidME7773431.150.87
PyroGlu-Met-ArgME7773621.170.86
Pimelic acidME7772491.170.86
Phe-ArgME7772141.170.86
N,N-DimethylarginineME7770801.170.86
gamma-Muricholic acidME7768741.170.86
ElephantoinME7774551.170.86
7alpha,12beta-Dihydroxy-5alpha-cholan-24-oic acidME7775131.170.86
5-(Methylthio)-1-phenyl-1H-tetrazoleME7771671.170.86
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneME7775171.170.86
MethoxyfluraneME7773961.190.85
PsychotrineME7767471.180.85
4-Chloro-8-methoxy-5H-pyrimido[5,4-b]indoleME7766741.180.85
3-Methylglutaric acidME7771541.180.85
1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylateME7776001.180.85
1,3-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ureaME7770421.180.85
(6-Fluoro-1H-benzimidazol-2-yl)methanolME7769630.641.30
Methyl 1-piperazinecarboxylateME7769080.631.30
Carbobenzyloxyglycyl-L-norleucine methyl esterME7774780.631.30
Asiatic acidME7769410.631.30
BropirimineME7768560.631.30
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamideME7766900.611.32
(-)-StercobilinME7776430.621.31
2^-DeoxyinosineME7767020.621.31
3-Oxocholic acidME7770690.621.31
IsosakuranetinME7769290.591.33
Acetylsalicylic acidME7769210.581.34
4-Methylvaleric AcidME7768020.581.34
2,3-Diacetoxy-7,8-epoxy-24,29-dinor-1,3,5-friedelatriene-20-carboxylic acidME7775850.581.34
3-Amino-5-hydroxybenzoic acidME7767480.581.34
trans-4-Hydroxycyclohexanecarboxylic acidME7769780.591.34
NicotinateME7772590.591.34
EsculetinME7770230.591.34
2-Hydroxycinnamic acidME7768240.591.34
3,3-Dimethylglutaric acidME7769280.591.34
EnterodiolME7767330.531.39
Ser-His-Val-LysME7773530.531.39
PurineME7772250.561.36
4-Phenyl-1H-pyrazol-3-ylamineME7768660.561.36
DobutamineME7769950.561.36
Ser-Arg-Phe-LysME7773540.551.37
Taurolithocholic acidME7769000.551.37
Zanubrutinib (BGB-3111)ME7771330.731.22
LoxoprofenME7767890.731.22
FAA(17:1)ME7772470.731.22
Diacetyl-10-gingerdiolME7774600.731.22
7-MethylrosmanolME7772410.731.22
DebromoaplysiatoxinME7768990.731.22
L-StercobilinogenME7774220.751.21
N2-Benzyl-N4-cyclohexyl-6-methyl-2,4-pyrimidinediamineME7769740.751.21
EcdysoneME7769840.741.22
TrandolaprilatME7767080.741.21
N-(p-Hydroxyphenethyl)actinidineME7771400.741.21
l-IsoleucineME7767720.741.21
EmbelinME7768720.741.21
13-DeoxytedanolideME7772000.741.21
3b-Hydroxy-5-cholenoic acidME7768940.741.21
Lys-Tyr-Ile-GluME7774020.771.19
Estradiol acetateME7769580.771.19
D-Calcium PantothenateME7771880.771.19
1,3-Dimethyluric acidME7766870.771.19
2-[4-[(2-Phenyl-1H-imidazol-5-yl)methyl]piperazino]pyrimidineME7771190.771.19
L-NorleucineME7770070.761.19
tetranor-PGEM-d6ME7772930.761.19
PrednisoloneME7769220.761.20
MycocyclosinME7773870.761.20
2-({[(4-Bromophenyl)thio]acetyl}amino)benzoic acidME7775780.761.20
Dehydrolithocholic acidME7771470.761.20
Undecanedioic acidME7771140.751.20
Arg-Asn-Gln-GluME7774990.751.20
LolitriolME7774080.751.20
TyrMe-HoPhe-OHME7773290.721.23
Selinexor (KPT-330)ME7771840.721.23
NeferinME7770700.721.23
L-Pyroglutamic acidME7766770.721.23
KurarinolME7774230.721.23
Isochromophilone IVME7771340.721.23
4-Hydroxyphenylacetic acidME7771460.721.23
2^-Hydroxy-4,4^,6^-trimethoxychalconeME7769970.721.23
1,5-Anhydro-D-fructoseME7767540.721.23
1-O-CinnamoylglucoseME7769620.721.23
AjugalactoneME7769540.711.23
N-(5-Methyl-2-pyridinyl)-N^-(2-phenylethyl)thioureaME7771560.711.23
1-Pentadecanoyl-sn-glycero-3-phosphocholineME7772560.691.25
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanateME7775370.691.25
DesethyleneciprofloxacinME7772750.701.25
7-ketolithocholic acidME7769400.701.25
3,16-DIDEOXYMEXICANOLIDE-3-DIOLME7775550.701.25
2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)malononitrileME7775800.701.25
2-Amino-N-cyclohexylethanesulfonamideME7770120.701.25
Dodecanedioic AicdME7767870.701.24
Leu-Thr-Ser-Lys-TyrME7774100.711.24
2-Phenyl-amino-N6-endo-norbornyladenineME7767130.711.24
Histidinyl-HistidineME7770460.711.24
TripelennamineME7766960.681.26
Ile-Val-Lys-Trp-AspME7774280.681.26
Chenodeoxycholic acidME7769330.681.26
3-Oxohexadecanoic acidME7775440.681.26
1,3,7-Trimethyluric AcidME7768810.681.26
1-Chloro-2-methylpropeneME7769040.681.26
HymenoxonME7768500.691.26
ForidinineME7774480.691.26
Acylated phloroglucinolME7775060.691.26
1,6-Dioxacyclohexadecane-7,16-dioneME7768450.691.26
4-AminopyridineME7769140.691.26
(S)-Glutamic acidME7768620.681.27
1,2-DichloroethaneME7772620.681.27
4^-hydroxytrazodoneME7775360.681.27
XanthineME7767880.671.27
Ursocholic acidME7770330.671.27
Gly-NorvalineME7774390.671.27
Adenosine-5^-phosphosulfateME7769270.671.27
EchinorineME7774560.671.27
ThymidineME7769200.661.28
N-AcetylprocainamideME7770060.661.28
5-Bromoisatoic anhydrideME7769370.661.28
IprodioneME7769800.661.28
Apocholic acidME7768030.641.29
3,7-Dihydroxy-12-oxocholanoic acidME7770570.651.29
12S-Hydroxy-5Z,8E,10E-heptadecatrienoic acidME7768790.651.29
2-Dec-9-enyl-3-hydroxypentanedioic acidME7775750.651.29
HydrocortisoneME7769230.341.54
Jamaicamide BME7774250.461.44
ZoxazolamineME7768270.461.44
Glycocholic AcidME7769320.451.46
5-Hydroxyhexanoic AcidME7771130.451.45
6-(Trifluoromethyl)nicotinonitrileME7770810.461.45
L-Asparagine AnhydrousME7767850.501.41
Ursodeoxycholic AcidME7772090.481.43
PGF2 Alcohol methyl etherME7771701.800.34
[(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
4-Hydroxy-3-methoxyphenylacetic acidME7770211.790.35
N^-Acetyl-4-bromobenzohydrazideME7767681.730.40
PrazosinME7771091.730.40
4-Hydroxycyclohexylcarboxylic acidME7769771.770.37
5-HydroxyfluvastatinME7775261.770.37
FFA(12:0)ME7771721.750.38
Terephthalic AcidME7772881.760.38
(3-Ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetic acidME7769431.630.48
Taurochenodesoxycholic AcidME7769011.650.47
S-Adenosyl-L-MethionineME7770291.670.45
NefiracetamME7767401.690.43
1,4-DibenzyloxybenzeneME7768171.700.43
6-AcetylpicropolinME7772381.700.43
N-(5-Chloro-2-phenoxyphenyl)thiophene-2-sulfonamideME7773851.240.80
2-Methylheptanoic acidME7772301.240.80
2-Butyl-4-chloro-1H-imidazole-5-carbaldehydeME7767201.240.80
10H-Phenoxazine-10-butanamine,2-chloro-N,N-diethyl-ME7775971.240.80
2-aminopyrimidine-4-carboxylateME7775641.240.80
(2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-1-oxo-3-prop-2-enylsulfanylpropan-2-yl]amino]-5-oxopentanoateME7776281.250.80
{6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl}oxidanesulfonic acidME7772901.250.80
(R)-10-HydroxystearateME7768091.240.81
Ethyl levulinateME7774501.230.81
Chenodeoxycholic acid sulfateME7774751.230.81
(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
6-(3-Chloro-4-methylanilino)-2,4(1H,3H)-pyrimidinedioneME7767781.230.81
KuraridinolME7774241.270.77
Rhodinyl propionateME7773591.280.77
TrilostaneME7773351.280.77
N6-MethyladenineME7769501.270.78
Glu-Val-Ile-GluME7774421.270.78
alpha-Muricholic acidME7770651.270.78
2-Amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrileME7775771.270.78
4-(Difluoromethoxy)benzonitrileME7767001.270.78
Cinnamic AcidME7771821.260.78
PicrocrocinME7771871.260.78
Histamine dihydrochlorideME7774331.250.79
Isobutyl salicylateME7774261.260.79
FFA(18:3)ME7769421.260.79
6-Chloropurine NucleosideME7771011.260.79
ErythroseME7768441.260.79
Leu-Ile-Ser-GluME7774131.290.76
2-[4-(Hydroxycarbamoyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamideME7771731.290.76
3-(2,5-Dimethoxyphenyl)propanoic acidME7772651.290.76
Tetranor-12(R)-HETEME7771951.300.75
N-(4-Methylsulphonyl-3-nitrophenyl)piperazineME7772531.300.75
2-Methyl-2-(4-nitrophenoxy)propanoic acidME7771221.300.75
6-ChlorocatechinME7775201.300.75
DL-2-Hydroxystearic acidME7774661.310.75
SucraloseME7768611.310.75
1H-imidazol-3-ium-5-amineME7775881.320.73
MethylthiouracilME7768641.330.73
2-tert-Butyl-4-hydroxyanisoleME7775621.330.73
12-HOMEME7771801.330.73
15-OxoEDEME7772641.330.73
N4-(3-Bromophenyl)quinazoline-4,6-diamineME7771321.310.74
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-oneME7770441.320.74
CortexoloneME7771511.320.74
RottlerinME7767291.340.72
Glu-SerME7768421.340.72
Methyl 8-bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylateME7769511.340.72
3-Methylphenylacetic acidME7768191.360.71
butanedioateME7773021.350.71
4-NitrobiphenylME7766941.350.71
8-(3-Octyl-2-oxiranyl)octanoic acidME7770601.350.71
N-Acetyl-D-GlucosamineME7767571.580.53
Succinic acidME7773451.570.53
Trp-His-OHME7773311.570.53
[3-Me-His2] TRHME7773071.540.56
3-(Methylsulfonyl)-1H-1,2,4-triazol-5-amineME7767031.510.58
Indole-2-carboxylic acidME7771631.510.58
[8]-DehydrogingerdioneME7767391.530.57
13-(3,4-dimethyl-5-pentyl-2-furyl)tridecanoic acidME7775931.520.57
MonooleinME7772501.520.57
(3-Iodopyridin-4-yl)carbamic acid,1,1-dimethylethyl esterME7770921.440.64
7-Methoxy-4-(trifluoromethyl)coumarinME7768491.450.63
CyclohexanoneME7772571.450.63
4-HydroxybenzaldehydeME7772191.480.60
Phenylacetic acidME7772771.470.61
3-Chloro-2-hydroxy-5-phenylbenzoic acidME7772731.460.62
Succinic AcidME7772511.470.62
Starch acetateME7773471.370.70
{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl}oxidanesulfonic acidME7772891.390.68
5-HETrEME7767051.380.68
Cyclamic acidME7772861.380.69
9,10-EpOMEME7775091.430.65
Bis(2-butoxyethyl) phthalateME7772351.420.65
Valproic acid beta-D-glucuronideME7768311.410.66
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acidME7771861.410.66
NevirapineME7772071.410.66
Sorbitol 6-phosphateME7773481.400.67
N-(1-Naphthyl)ethylenediamineME7768701.400.67
BufotalinME7769351.400.67
Hydrocinnamic AcidME7769181.400.67

Factors:

F1Status:non-sarcopenia
F2Status:sarcopenia
Data matrix
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