Clustering data with hclust algorithm for (Study ST000047)

(Analysis AN000080)
MetaboliteStructureF1F2F3
diethyltoluamideME6503790.440.483.59
3-HydroxycapricacidME6502202.020.640.39
LidocaineME6504912.360.530.11
DIALLYLSULFIDEME6503741.090.93NA
3-oxo-4-pentenoicacid+2.9779496ME6502311.450.600.96
p-Aminobenzoicacid+0.94484663ME6505651.500.590.84
8-Amino-7-oxononanoate+4.7958198ME6502661.490.650.66
L-GlutamicaciddibutylesterME6504861.540.510.59
4^-HydroxyminoxidilME6502380.970.731.15
bicyclo-PGE2ME6503211.040.771.22
L-Alaninen-butylesterME6504711.010.721.23
TranexamicacidME6506311.000.731.28
ZalcitabineME6506670.900.791.34
N2-Succinyl-L-ornithineME6505340.900.821.31
NetilmicinME6505450.870.811.31
CarteololME6503390.850.811.22
Indoleacrylicacid+4.1127377ME6504570.850.811.27
3-(3-Indolyl)-2-oxopropanoicacidME6502090.890.921.18
Acetoin+3.357173ME6502850.900.921.18
6-Formylindolo[3,2-B]carbazoleME6502550.840.941.22
4-Hydroxypyridine+1.6993763ME6502400.860.881.21
GluGluME6504240.830.901.23
D-ProlineME6504000.980.821.24
7,8-DidehydroastaxanthinME6502590.940.841.21
DesmethyldoxepineME6503660.930.841.17
BenzylmalicacidME6503170.920.821.19
S-(p-Azidophenacyl)glutathioneME6506190.930.831.19
Flucytosine+0.99118036ME6504120.960.891.16
GlnSerHisME6504210.970.891.14
ValineME6506590.960.861.18
Valine+1.1798357ME6506600.980.861.16
Phenytoin-N-glucuronideME6505820.640.941.33
BiotinamideME6503230.690.881.41
Tyrosine+1.775995ME6506420.740.891.38
p-CoumaricacidME6505670.700.861.32
C17SphinganineME6503290.770.911.30
CaffeineME6503330.710.931.34
IsoniazidME6504630.730.941.31
Proline+2.1935194ME6505980.690.751.46
3E,5E-tridecadienoicacidME6502190.780.771.43
HomoserineME6504460.780.801.43
D-Glucose+3.6962345ME6503710.820.801.39
TriparanolME6506360.830.781.35
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oicAcidME6502141.200.711.10
13E,17-octadecadienoicacidME6501361.260.711.05
Bifemelane(M4)ME6503221.250.751.05
8R-hydroxy-9Z-octadecenoicacid+12.146298ME6502731.230.810.91
L-gamma-Cyano-gamma-aminobutyricacidME6504831.270.830.92
2-AminopropanolME6501801.290.740.96
IndospicineME6504581.360.770.93
DIBENZOTHIOPHENE+1.2266107ME6503761.440.880.78
ProlineME6505951.180.910.73
6,8-dihydroxy-octanoicacidME6502521.261.000.80
DocosanedioicacidME6503951.200.910.81
HomocysteineME6504451.260.920.86
TyrProME6506431.240.900.86
HistidineME6504401.320.860.82
OxybutyninME6505631.250.840.81
HomoarginineME6504441.150.850.97
2-Pyrrolidinone+2.8932798ME6502051.160.880.97
Acetoin+3.1608412ME6502841.180.880.96
DesethylchloroquineME6503651.150.930.91
8-AminoCaprylicacidME6502681.180.890.92
ProPheArgME6506001.170.900.93
VanillacticacidME6506631.080.881.04
PinacidilME6505871.070.901.03
AsymmetricdimethylarginineME6503111.080.901.02
Triparanol+3.4729714ME6506391.080.901.02
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2ME6501431.110.881.03
GuanidinosuccinicAcidME6504361.090.881.01
C18-CerebrosideME6503301.130.871.05
D-Leucicacid+3.3511949ME6503901.090.861.06
4-PyridoxicacidME6502411.120.890.99
NorpropoxypheneME6505561.120.900.98
1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1^-rac-glycerol)ME6501561.110.901.00
UricacidME6506551.100.901.00
5,6-DihydrouridineME6502441.110.910.99
PyridoxamineME6506061.100.910.98
RETUSOQUINONE+11.520966ME6506171.110.910.94
6,8-dihydroxy-octanoicacid+4.223625ME6502531.120.910.95
(6RS)-22-oxo-23,24,25,26,27-pentanorvitaminD36,19-sulfurdioxideadduct/(6RS)-22-oxo-23,24,25,26ME6501221.110.910.95
2,4,6,8,10-dodecapentaenalME6501711.100.930.96
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)+2.8463671ME6505531.120.930.97
CysSerME6503581.110.910.97
N2,N2-DimethylguanosineME6505331.110.920.97
4-Hydroxy-L-threonineME6502371.120.961.01
8,13-dihydroxy-9,11-octadecadienoicacidME6502641.150.950.98
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamineME6505471.120.821.07
PropionylglycinemethylesterME6506011.120.821.09
D-GlucoseME6503701.140.771.10
3-O-MethyldobutamineME6502271.140.791.08
ALPRENOLOLME6502961.130.791.07
L-Glutamicaciddibutylester+5.3399ME6504891.170.781.04
clavirinIME6503491.110.781.01
5-HydroxytryptophanME6502501.150.781.00
Glucosylceramide(d18:1/20:0)ME6504231.140.810.99
MebeverineME6505041.130.811.02
L-gamma-Cyano-gamma-aminobutyricacid+2.6655388ME6504851.070.771.13
5-(hydroxymethyl)-2-Furancarboxylicacid+1.1827083ME6502431.010.851.05
LeucineME6504741.020.831.15
o-HydroxyanilineME6505601.010.831.10
3-AminopropanalME6502171.030.831.12
p-Coumaricacid+1.7897145ME6505681.010.811.12
Ne-Methyl-L-lysineME6505441.040.841.09
Triparanol+1.2402513ME6506381.030.861.11
GPIns(16:0/18:1(9Z))ME6504331.050.861.09
DesmethylthioridazineME6503681.030.871.09
D-Leucicacid+4.228268ME6503941.040.871.10
GABOXADOL+1.0597433ME6504171.060.811.07
MetHisLys+9.580145ME6505131.080.821.10
AcyclovirME6502921.070.831.09
PhenylalanineME6505791.060.841.09
2-FuroicacidME6501850.860.991.13
2-Pyrrolidinone+2.5081131ME6502040.901.001.11
pipecolicacidME6505900.881.011.12
ESTRADIOLCYPIONATEME6504050.851.011.06
2,3-DioxogulonicacidME6501700.881.041.08
CytarabineME6503590.881.041.07
6,9-hexadecadienoicacidME6502540.891.021.07
epinephrylborateopthalmicsolutionME6504030.901.031.07
Desmethyldoxepine+8.275158ME6503670.960.901.09
N-Acetyl-D-mannosamineME6505380.950.911.12
3-DeoxyvitaminD3ME6502180.970.931.10
1-Methyladenosine+1.7661844ME6501630.950.931.12
IndoleacrylicacidME6504560.960.931.11
(E)-2-MethylglutaconicacidME6501230.930.971.13
PEUCENINME6505750.930.981.13
PantothenicAcidME6505660.910.981.12
LysGluValME6504970.920.971.10
Pinacidil+4.4089837ME6505880.920.981.11
PISCIDICACIDME6505910.940.951.11
InosineME6504590.940.951.12
ISOLIQUIRITIGENINME6504620.950.951.12
Propionylglycinemethylester+2.9428074ME6506020.930.941.10
8R-hydroxy-9Z-octadecenoicacidME6502710.940.961.10
(-)N-(1R-methyl-propyl)arachidonoylamineME6501140.940.951.09
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-dihydroxy-22-oxacholecalciferolME6501190.940.981.10
AspLeuME6503100.950.971.08
N-methyl-GabapentinME6505550.961.001.04
LeuProIleME6504790.961.001.03
16,16-dimethyl-PGF2betaME6501400.971.001.03
9,13-dihydroxy-11-octadecenoicacidME6502780.971.001.03
QuinestrolME6506120.971.001.05
1-MethylinosineME6501660.970.981.04
2-Pyrrolidinone+2.9543996ME6502060.970.991.04
N-AcetylputrescineME6505410.970.961.06
L-SerineME6504940.960.971.06
C16SulfatideME6503280.970.971.05
Limonene-1,2-epoxideME6504920.970.971.06
ThrHisGlnME6506300.970.971.06
AsnHisSerME6503080.990.971.04
MYCOPHENOLICACID+4.000977ME6505250.990.961.04
DemissidineME6503640.980.961.05
1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerolME6501540.990.971.05
1-hexadecanoyl-sn-glycerolME6501570.980.971.05
GlnSerThrME6504220.920.991.09
N-Acetyl-L-HistidineME6505390.921.001.09
2-METHOXYRESORCINOLME6501930.921.011.08
Histidine+0.8661965ME6504410.911.011.08
3-Hydroxycapricacid+5.362054ME6502220.911.001.08
Hypoxanthine+1.5465705ME6504490.911.001.09
22:1CholesterylesterME6501750.950.991.07
2-Amino-2-methyl-1-propanolME6501760.940.991.07
3,4-dihydroxymandelateME6502120.960.991.07
2-DeoxyglucoseME6501840.950.991.06
CarboxyprimaquineME6503380.960.991.06
trans-AconitateME6506340.921.021.06
DihydropteridineME6503840.951.001.05
2-KetoglutaricAcidME6501920.931.011.06
Furan2,5-dicarboxylicacidME6504140.941.011.05
URETHANE+2.1131146ME6506541.010.891.09
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacidME6502481.000.911.10
LysCysHisME6504961.010.901.11
SpermidineME6506231.020.901.10
C22SulfatideME6503311.050.901.02
L-Glutamicacidn-butylesterME6504901.050.921.03
CephradineME6503411.050.931.03
Cholest-5-eneME6503461.040.931.03
L-Glutamicaciddibutylester+5.1181326ME6504871.050.921.05
IsopentenyladenineME6504651.050.921.04
DelphinidinME6503631.050.911.04
GlnProLysME6504201.050.911.04
2-Amino-3-methyl-1-butanolME6501781.030.891.08
Bis(2-hydroxypropyl)amine+1.6169006ME6503251.050.891.07
AcetoaceticacidME6502821.030.901.07
1-HydroxytetrahydrocannabinolME6501601.040.901.07
6-methyltetrahydropterinME6502561.040.901.06
Desmethylthioridazine+10.251241ME6503691.040.901.06
ROFECOXIBME6506181.050.871.06
AlanineDimerME6502941.060.891.05
D-Leucicacid+3.683157ME6503921.060.891.06
1-Hexadecylamine+10.330298ME6501591.020.941.01
DihydromyricetinME6503831.020.951.03
1-MethyladenosineME6501621.010.961.03
TyrosineME6506411.020.961.03
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid+13.396578ME6501161.020.961.03
OleamideME6505611.020.961.03
Urea+1.1698138ME6506501.000.961.03
(E)-2-Methylglutaconicacid+1.2437595ME6501251.010.951.04
2-decylenicacidME6501831.000.961.04
3-ketopalmiticacidME6502241.010.961.04
LysineME6505001.030.941.04
Acetoin+3.7338545ME6502871.030.941.02
13,14-dihydro-19(R)-hydroxyPGE1ME6501351.020.941.03
Acetoin+3.4380774ME6502861.030.941.03
N-(2-hydroxyethyl)stearamideME6505301.030.941.03
PerindoprilME6505731.000.941.04
DiethanolamineME6503781.010.941.04
DimercaprolME6503861.020.941.04
DIHYDROSPATHELIACHROMENEME6503850.990.951.06
8R-hydroxy-9Z-octadecenoicacid+12.259173ME6502741.000.941.06
octadecanamideME6505581.000.931.06
D-Leucicacid+3.991298ME6503930.990.931.08
VigabatrinME6506640.970.941.07
5-(hydroxymethyl)-2-FurancarboxylicacidME6502420.980.941.07
CytosineME6503600.980.941.08
p-HYDROXYCINNAMALDEHYDEME6505851.000.921.08
1-MethylguanosineME6501651.010.921.07
Loroxanthinester/LoroxanthindodecenoateME6504931.010.921.07
3-Hydroxycapricacid+4.517981ME6502211.040.931.06
13,14-dihydro-15-keto-PGF2alphaME6501341.030.921.05
SuccinoadenosineME6506251.020.931.06
(2-Chlorophenyl)diphenylmethaneME6501201.020.931.05
IsoleucineME6504611.020.931.05
MethylglyoxalME6505190.990.981.02
TRIACETINME6506351.000.981.02
D-LeucicacidME6503891.000.981.02
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoateME6505171.000.981.02
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoateME6505181.010.971.02
QuinoneME6506131.000.971.02
N-Acetyl-a-neuraminicacidME6505351.000.981.01
9-lauroleicacid+12.430359ME6502811.000.991.01
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-24+13.434656ME6501471.000.991.01
1-HexadecylamineME6501581.000.991.01
OctocryleneME6505591.010.981.00
HydroxyhydroquinoneME6504471.010.971.01
BENZYLBUTYLPHTHALATEME6503161.010.981.01
7,8-DiaminononanoateME6502571.010.981.01
7,8-Diaminononanoate+0.86831826ME6502581.010.981.01
(E)-2-Methylglutaconicacid+0.8921491ME6501240.980.991.03
1-octadecanoyl-rac-glycerolME6501680.990.991.03
N-(2-hydroxyethyl)oleamideME6505290.990.981.03
LysValME6505020.990.981.03
Histidine+1.047004ME6504420.990.981.03
2-Methylbutyrylglycine+3.9581158ME6501960.990.981.03
,4-DihydroxyphenylpropionicacidME6501270.990.981.03
LysLysLysME6505010.991.001.01
N1-AcetylspermidineME6505320.990.991.02
GPIns(16:0/18:1(9Z))+11.922863ME6504340.990.991.02
ISOSAFROLE+11.260149ME6504670.990.991.02
ValLysTyrME6506620.991.001.02
SerSerME6506210.981.001.02
8-hydroxy-17-octadecene-10,12-diynoicacidME6502690.981.001.02
LysIleME6504990.981.001.02
cyclandelate+11.3055525ME6503541.011.000.98
avobenzone+13.0102ME6503141.021.000.99
1alpha-hydroxy-22-(3-hydroxyphenyl)-23,24,25,26,27-pentanorvitaminD3/1alpha-hydroxy-22-(3-hydroxyME6501501.011.000.99
Meradimate+9.747628ME6505081.011.000.99
7-hydroxy-10E,16-heptadecadien-8-ynoicacidME6502621.031.000.98
Pinacidil-N-OxideME6505891.021.000.98
PhthalicacidMono-2-ethylhexylEster+11.684327ME6505841.021.000.98
13E,17-octadecadienoicacid+12.351626ME6501381.021.000.98
7-DEACETOXY-7-OXOKHIVORINME6502611.021.000.98
CARBETAPENTANEME6503371.020.990.99
MeradimateME6505061.020.990.99
ISOSAFROLE+7.876791ME6504701.020.990.98
PenbutololME6505701.020.990.98
TRANILASTME6506331.020.981.00
CysAlaGlyME6503561.020.981.00
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)cME6501531.020.981.00
2-amino-tetradecanoicacidME6501811.020.981.00
CreatinineME6503511.020.991.00
N-(2-hydroxyethyl)icosanamideME6505281.020.991.00
PGE1alcoholME6505771.010.990.99
2R-aminohexadecanoicacidME6502071.011.001.00
cis-11-HexadecenalME6503471.010.991.00
beta-AlanineME6503181.010.991.00
1,2-di-(9Z,12Z-heptadecadienoyl)-3-octadecanoyl-sn-glycerolME6501281.010.991.00
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)cME6501481.010.991.00
Vigabatrin+11.291644ME6506651.000.991.00
n-HexanoicAcidME6505481.001.001.01
URETHANE+1.9081365ME6506531.001.001.00
1alpha,25-dihydroxy-11beta-methoxyvitaminD3/1alpha,25-dihydroxy-11beta-methoxycholecalciferolME6501451.001.001.00
p-HYDROXYCINNAMALDEHYDE+6.348544ME6505861.001.001.00
AcetoinME6502831.020.981.01
CysProIleME6503571.020.971.01
3-methyl-tetradecanedioicacidME6502261.020.971.01
3-Amino-2-piperidoneME6502161.020.971.01
1,3-PropanediamineME6501291.020.971.01
2-ISOPROPYL-3-METHOXYCINNAMICACID+11.305641ME6501911.020.971.01
HypoxanthineME6504481.020.961.02
N-AcetylCilastatinME6505371.020.971.02
UrocanicacidME6506571.020.971.02
GPEtn(O-18:0/22:0)[U]ME6504321.030.961.00
12-oxo-9-octadecynoicacidME6501331.030.960.99
CARBADOX+3.2040133ME6503361.040.960.99
2-Hydroxyadipicacid+0.9071934ME6501881.030.961.01
2-PyrrolidinoneME6502011.030.961.01
avobenzoneME6503131.030.971.01
EthylOxalacetateME6504101.030.971.01
Purine+0.7625763ME6506051.040.971.00
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline+3.4088924ME6502351.030.981.00
PenicillinVME6505711.030.971.00
4,12-dihydroxy-hexadecanoicacidME6502331.030.971.00
16beta-HydroxystanozololME6501421.030.971.00
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oicacidME6502151.030.971.00
5-oxo-7-decynoicacidME6502511.030.970.97
1-MethylguanineME6501641.040.970.99
2-ISOPROPYL-3-METHOXYCINNAMICACIDME6501901.040.970.99
2,4-octadienalME6501741.040.980.99
ProProPheME6506031.040.980.99
SerHisSerME6506201.030.980.98
p-Coumaricacid+8.976108ME6505691.030.970.99
PhenoperidineME6505781.030.980.99
C16SphinganineME6503271.030.980.99
PEUCENIN+7.86186ME6505761.030.980.99
temazepamME6506270.991.021.00
(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD33-oxide/(5Z)-(3S)-1alpha,25-dihydroxy-3-deoME6501210.981.021.00
METHYLTHIOURACILME6505220.981.021.00
Urea+0.91156ME6506490.991.011.00
PyroglutamicacidME6506080.991.011.00
ISOSAFROLE+7.781458ME6504690.991.011.00
HisLeuSerME6504390.991.011.00
Diphenoxylicacid(DPA)ME6503880.991.011.00
dodecanamide+10.117273ME6503970.991.011.00
3^-HydroxytrimethoprimME6502230.991.010.99
3-Methylamino-1,2-propandiolME6502250.991.020.99
Meradimate+9.5246935ME6505070.981.030.99
GUVACINEME6504370.961.031.00
CreatineME6503500.971.041.00
2-HydroxyfelbamateME6501890.981.031.00
dodecanamide+10.603764ME6503980.971.031.00
3-(2,5-dimethoxyphenyl)propanoicacidME6502080.971.031.00
DIBENZOTHIOPHENE+1.3471979ME6503770.971.031.00
OxaloglutarateME6505620.961.011.00
URETHANE+1.6414638ME6506520.961.021.01
MethyljasmonateME6505200.971.021.01
RETUSOQUINONE+11.308531ME6506160.971.021.01
Pyridoxine(VitaminB6)ME6506070.981.011.01
8R-hydroxy-9Z-octadecenoicacid+12.002578ME6502720.971.011.02
UbiquinoneME6506450.971.011.02
N-Acetyl-beta-D-mannosamineME6505360.991.050.96
3-O-Methyldobutamine+9.681883ME6502280.991.050.97
Niacinamide+1.0467085ME6505510.991.050.97
2,4-DICHLOROPHENOXYACETICACIDME6501731.021.020.97
DiflunisalacylglucuronideME6503801.021.020.97
Glutaral(Glutaraldehyde)ME6504251.011.030.96
PentazocinetransacidME6505721.011.020.96
RETUSOQUINONEME6506151.001.010.98
UridineME6506561.001.010.98
NadololME6505431.011.020.98
8R-hydroxy-9Z-octadecenoicacid+12.398762ME6502751.001.020.98
fluoxymesteroneME6504131.001.020.98
beta-vinylacrylicacidME6503190.991.030.97
2,4,6,8,10-dodecapentaenal+1.227618ME6501721.001.030.97
3,3,45-TetrahydroxystilbeneME6502111.001.030.97
3,5-dichlorosalicylicacidME6502130.991.040.98
ShikimicacidME6506220.991.030.98
URETHANEME6506510.991.030.98
LeuProProME6504801.100.930.99
ResolvinD1ME6506141.080.920.99
(23R,25R)-25-hydroxyvitaminD326,23-lactone/(23R,25R)-25-hydroxycholecalciferol26,23-lactoneME6501171.090.911.00
DiacetylME6503731.080.911.01
8-Amino-7-oxononanoateME6502651.080.940.98
HECOGENINACETATEME6504381.080.940.98
AspAspProME6503091.070.940.99
CerebrosideCME6503431.070.940.99
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-24ME6501461.060.911.00
GPEtn(18:1(11Z)/18:1(9Z))[U]+11.980686ME6504301.060.911.00
VitaminD3glucosiduronateME6506661.060.930.99
FusidicacidME6504151.060.931.01
C24:1-OHSulfatideME6503321.070.931.00
1-Aminocyclopropane-1-carboxylicacid+1.2266328ME6501521.060.931.00
L-CysteinesulfonicacidME6504731.060.931.00
ChloralhydrateME6503441.080.960.96
9-lauroleicacidME6502801.070.970.95
3-(a-Naphthoxy)lacticacidglucuronideME6502101.070.970.96
GlycineME6504261.070.970.96
7-palmitoleicacidME6502631.060.960.98
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacidME6501151.060.960.97
ISOSAFROLE+11.294703ME6504681.060.960.97
CDP-DG(12:0/12:0)ME6503401.060.970.97
TG(16:1(9Z)/20:0/22:3(10Z,13Z,16Z))[iso6]ME6506291.060.980.97
EmbelinME6504021.050.951.00
N-acetyl-LTE4ME6505401.040.951.00
2-Oxovalericacid+1.0467923ME6502001.040.951.01
8-hydroxy-17-octadecene-10,12-diynoicacid+13.171953ME6502701.040.941.01
Bis(2-hydroxypropyl)amine+2.961494ME6503261.050.941.01
LysAsnProME6504951.050.951.01
SulfacetamideME6506261.060.951.00
QH2ME6506111.060.950.99
Leucine+3.3912697ME6504751.060.950.99
n-PentadecylamineME6505571.060.950.99
IleAlaME6504531.050.970.98
LeuHisLeuME6504761.050.960.99
MetHisLys+9.225381ME6505121.050.960.99
2-Amino-2-methyl-1-propanol+3.3926477ME6501771.050.960.98
8-Amino-7-oxononanoate+5.501855ME6502671.050.950.98
CamptothecinME6503341.070.990.94
Mebeverinemetabolite(Veratricacidglucuronide)ME6505051.070.990.95
dodecanamideME6503961.060.990.95
DoxapramME6503991.061.000.95
Urea+0.6992776ME6506471.060.980.93
2-OxovalericacidME6501991.071.000.92
LEVULINICACID,3-BENZYLIDENYL-ME6504811.070.990.92
5,7-nonadienoicacidME6502451.040.970.94
GPEtn(18:1(11Z)/18:1(9Z))[U]ME6504291.051.010.94
2-Pyrrolidinone,1-ethyl-4-[2-[(2-hydroxyethyl)amino]ethyl]-3,3-diphenyl-(7CI,8CI,9CI)ME6502021.031.010.95
PurineME6506041.041.010.95
Acetyl-farnesyl-cysteineME6502911.031.000.97
ISOSAFROLEME6504661.041.000.96
cyclandelateME6503531.040.980.97
EcgonineME6504011.040.990.97
GibberellinA9ME6504191.050.980.96
5a-TetrahydrocorticosteroneME6502471.050.990.96
D-HomoserineME6503721.040.990.96
MethylphenidateME6505211.080.960.89
epsilon-CaprolactamME6504041.110.940.95
Proline+0.86503255ME6505961.110.950.94
2-Pyrrolidinone+1.6404546ME6502031.090.950.95
GPP(18:1(9Z)/18:1(9Z))ME6504351.090.960.94
1-Pyrrolidinepropanol,a-(4-hydroxycyclohexyl)-a-phenyl-,trans-ME6501691.100.960.94
LeuProME6504781.100.960.94
Inosine+2.9386847ME6504601.100.970.92
9,12,14-octadecatrienoicacidME6502771.090.990.92
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)c+13.128956ME6501491.090.980.94
MetHisLysME6505101.090.980.94
L-gamma-Cyano-gamma-aminobutyricacid+0.890694ME6504841.021.030.95
TyrCysThrME6506401.021.040.95
ArginineME6503051.031.040.93
DacarbazineME6503611.031.030.94
5-HydroxymethylcimetidineME6502491.051.030.92
AtenololME6503121.031.050.91
HisValME6504431.031.050.92
1-L-Leucyl-L-ProlineME6501611.071.030.89
beta-vinylacrylicacid+3.1429625ME6503201.061.060.88
N-FluorenylacetamideME6505461.061.060.91
3-O-Methyl-L-DOPAME6502291.011.100.93
p-AminobenzoicacidME6505641.021.100.93
Creatinine+1.1800067ME6503520.991.100.93
Aminosalicylicacid+2.050458ME6503000.991.090.92
10-hydroxy-8E-Decene-2,4,6-triynoicacidME6501301.001.090.91
DIBENZOTHIOPHENEME6503751.001.090.91
9-dodecen-1-olME6502791.001.070.91
IleAlaValME6504541.001.080.93
Cer(d18:0/22:0)ME6503420.981.070.93
GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))[U]ME6504310.991.070.93
1-nonadecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerolME6501670.981.090.88
Ethosuximide+3.0564094ME6504080.971.110.92
Ethylenediamine-N,N^-di-a-butyricacidME6504090.981.120.91
Pyroglutamicacid+1.2445769ME6506090.981.120.89
VALERYLSALYCILATEME6506580.981.140.89
MYCOPHENOLICACID+5.9322114ME6505270.951.150.87
Acetoin+9.702633ME6502900.941.120.94
1-eicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerolME6501550.931.150.92
2-methylene-4-oxo-pentanedioicacidME6501970.941.150.91
IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-dimethoxy-6-methyl-)ME6504500.831.151.02
2-HydroxyadipicacidME6501870.951.041.01
Aminosalicylicacid+1.590819ME6502980.951.051.02
5-aminosalicyluricacidME6502460.961.051.00
MY-5445ME6505230.951.061.00
IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-dimethoxy-6-methyl-)+5.8371787ME6504520.921.031.02
ArgSerProME6503060.941.021.04
PhthalicacidMono-2-ethylhexylEsterME6505830.951.021.03
FlucytosineME6504110.951.041.03
CARBADOXME6503350.941.031.03
GlyValHisME6504280.941.031.02
MYCOPHENOLICACIDME6505240.951.080.94
(24S)-1alpha,24,25-trihydroxy-22-oxavitaminD3/(24S)-1alpha,24,25-trihydroxy-22-oxacholecalciferolME6501180.931.090.99
L-arabitolME6504720.941.090.97
ProGluTyrME6505930.931.090.97
Citrullinen-butylesterME6503480.961.080.97
LysHisME6504980.951.070.98
13S-hydroxy-9E,11Z-octadecadienoicacidME6501390.931.070.98
Proline+3.5784535ME6505990.941.070.98
ChloramphenicolalcoholME6503450.901.111.00
Valine+3.1044893ME6506610.911.141.00
4-AminobutyraldehydeME6502360.901.140.94
ZopicloneME6506690.901.130.97
2-Heptenedioicacid,4-oxo-ME6501860.931.071.01
GlyValGlyME6504270.901.061.02
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)+2.9480572ME6505540.901.061.02
IleProME6504550.911.091.02
MetHisLys+10.030071ME6505110.911.081.02
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2+14.23761ME6501440.861.090.99
13E,17-octadecadienoicacid+12.112559ME6501370.851.111.04
8S-hydroxy-2-Decene-4,6-diynoicacidME6502760.871.091.03
AminosalicylicacidME6502970.891.091.03
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazolineME6502341.081.260.66
Triparanol+1.0181272ME6506371.091.270.64
N(pai)-Methyl-L-histidineME6505311.111.030.86
Phenylalanine+3.2762616ME6505811.121.040.86
Benzenepropanoicacid,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-(9CI)ASL8123ME6503151.111.050.83
Acetoin+4.037091ME6502891.091.060.85
LeuLeuAlaME6504771.091.060.86
D-BiotinME6503621.071.060.80
Spermidine+0.7562499ME6506241.041.080.84
Aminosalicylicacid+1.660612ME6502991.061.090.86
MannitolME6505031.081.090.84
2-Methylbutyrylglycine+0.9057921ME6501951.071.080.83
MetHisLys+9.901607ME6505161.071.080.84
Bis(2-hydroxypropyl)amineME6503241.120.990.89
D-Leucicacid+3.4208822ME6503911.121.000.89
4-(diaminomethylideneamino)butanoicacidME6502321.140.980.86
EthambutolaldehydeME6504061.140.980.88
AsnGlySerME6503071.130.990.83
TyrProArgME6506441.121.010.83
1-Aminocyclopropane-1-carboxylicacidME6501511.151.040.81
DihydrolevobunololME6503821.171.020.81
dimethylsulfoxideME6503871.071.160.77
16,16-dimethyl-PGF2beta+11.429014ME6501411.131.180.74
MYCOPHENOLICACID+5.6754255ME6505261.121.120.75
GABOXADOLME6504161.231.060.70
7alpha-(Thiomethyl)spironolactoneME6502601.211.140.70
Phenylalanine+3.1124516ME6505801.171.100.69
MetHisLys+9.8822365ME6505150.921.350.75
2-Butanone,4-[6-(sulfooxy)-2-naphthalenyl]-ME6501820.881.230.91
Pyroglutamicacid+1.5233006ME6506100.901.180.91
TetrahydrofuranME6506280.971.220.82
Zalcitabine+1.1630843ME6506680.971.200.80
12-oxo-10Z-dodecenoicacidME6501320.971.220.80
cyclohexylammoniumME6503550.981.210.80
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)ME6505520.951.190.85
ANETHOLEME6503010.941.220.88
(R)-(+)-CitronellalME6501260.921.220.85
alpha,alpha-TrehaloseME6502951.041.200.82
NiacinamideME6505500.991.140.81
AlaAlaAspME6502931.001.150.84
Perindopril+13.513286ME6505741.001.130.85
4-HydroxypyridineME6502390.791.291.02
n-HexanoicAcid+3.6519935ME6505490.691.361.03
L-Glutamicaciddibutylester+5.189158ME6504880.581.081.21
12-amino-dodecanoicacidME6501310.831.021.16
Urea+0.72563285ME6506480.861.031.20
LEVULINICACID,3-BENZYLIDENYL-+11.658154ME6504820.751.101.17
Isoniazid+3.4042652ME6504640.821.141.13
PISCIDICACID+0.9124123ME6505920.831.081.11
UreaME6506460.831.101.12
2-Amino-3-methyl-1-butanol+1.045414ME6501790.580.771.68
Acetoin+3.9354725ME6502880.860.631.52
dihydro-alpha-ergocryptineME6503810.770.591.63
3-oxo-4-pentenoicacidME6502300.700.681.63
ProHisME6505940.760.691.57
Proline+2.0194335ME6505971.130.581.16
Gamma-Glu-LeuME6504181.250.591.18
N-AcetyltranylcypromineME6505421.280.511.21
EthosuximideME6504070.980.521.44
ARECOLINEME6503040.930.571.30
MethionineME6505090.970.541.28
AnthraceneME6503030.441.421.34
IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-dimethoxy-6-methyl-)+5.7281647ME6504510.881.460.57
2-MethylindolineME6501980.641.670.74
Tranexamicacid+3.9845319ME6506320.721.640.60
ANISOMYCINME6503020.871.640.81
2-MethylbutyrylglycineME6501940.701.500.81
MetHisLys+9.714662ME6505140.801.450.81

Factors:

F1Cognitive Status:AD
F2Cognitive Status:CN
F3Cognitive Status:MCI
Data matrix
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