Clustering data with hclust algorithm for (Study ST003280)

(Analysis AN005373)
MetaboliteStructureF1F2F3F4
2-Methyl-5-vinylpyrazineME8608820.820.643.931.22
(9cis,13^cis)-3,3^-Dihydroxy-7,8-didehydro-beta,beta-carotene-4,4^-dioneME8607941.520.763.670.51
N-Acetyl-L-histidineME8611442.790.270.450.56
8-methylthiooctanaldoximeME8609540.152.420.510.17
2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamineME8608640.731.640.960.56
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)ME8611030.661.701.180.52
1-LinoleoylglycerophosphocholineME8608370.401.741.420.65
1-PalmitoylglycerophosphocholineME8608440.531.731.450.54
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholineME8608150.481.761.390.57
1-OleoylglycerophosphocholineME8608430.481.721.360.62
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoateME8607780.362.031.360.34
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))ME8611020.341.931.360.47
US4056000ME8612571.341.111.440.59
gamma-ConiceineME8610501.281.241.590.46
3-(3,4,5-trimethoxyphenyl)propanoic acidME8608991.081.241.510.63
1-MethylpyrroliniumME8608391.111.301.630.52
2-PentylpyridineME8608931.071.301.560.56
2,5-Diethyl-3,6-dimethylpyrazineME8608601.421.001.840.60
11-(Hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-3-picenyl 4-aminobenzoateME8608291.171.031.840.77
AmphetamineME8609731.131.191.810.62
7_8-DiaminononanoateME8609520.851.291.910.71
SolasodineME8612220.771.532.070.47
2-Pentyl-1,3-thiazolidineME8608920.551.282.011.00
4-(1-D-Ribitylamino)-5-amino-2_6-dihydroxypyrimidineME8609180.501.491.680.80
BuclizineME8609891.300.740.231.31
TO0127900ME8612401.280.630.351.43
4-[(2-Hydroxy-4-methylpentanoyl)amino]-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acidME8609261.580.510.651.28
desvenlafaxineME8610171.500.740.531.08
TempletineME8612341.590.610.561.15
BethanidineME8609862.090.620.650.70
9-DecenoylcarnitineME8609561.720.970.620.59
AlimemazineME8609661.720.850.850.71
axitiromeME8609821.720.910.740.65
heptaminolME8610641.770.680.890.80
InspraME8610791.860.630.930.84
4-(beta-Acetylaminoethyl)imidazoleME8609211.730.720.700.86
[FA]O-Palmitoyl-R-carnitineME8608061.740.590.661.05
4-ImidazolemethanolME8609311.841.020.120.48
1-Aminocyclopropane-1-carboxylateME8608341.680.840.390.83
ammodendrineME8609711.670.960.290.65
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl (9Z)-9-tetradecenoateME8607821.820.610.370.99
1-(1Z-hexadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamineME8608111.940.700.240.80
3-GuanidinopropanoateME8609101.880.750.310.78
5,6-Dichloro-1,3-cyclohexadieneME8609381.090.551.081.58
3-Amino-5,7-dimethyl-1-adamantanolME8609061.010.610.991.59
4-[(1S)-1-Cyclohexyl-2-(2-piperidinyl)ethyl]cyclohexanolME8609251.000.640.941.57
2S-Amino-tridecanoic acidME8608970.920.711.011.54
OctylamineME8611820.830.790.981.53
N-(2,6,10,14-Tetramethylpentadecanoyl)glycineME8611300.870.711.161.57
(+)-N-MethylconiineME8607600.970.631.171.57
N-tert-Butyloxycarbonyl-deacetyl-leupeptinME8611770.900.731.411.48
LevallorphanME8610960.900.771.441.41
UNII:6S7S02945HME8612550.920.781.361.39
(9alpha,11alpha,13E,15S)-5,6,9,11,15-Pentahydroxyprost-13-en-1-oic acidME8607930.830.711.341.57
(2E,4Z)-N-Isobutyl-2,4-decadienamideME8607720.950.611.381.58
OleoylethanolamideME8611870.910.661.341.57
3-[(6-Oxodecanoyl)oxy]-4-(trimethylammonio)butanoateME8609040.820.931.171.34
2-(4-Methylthiazol-5-yl)ethyl decanoateME8608490.870.861.061.37
3-Epihydroxy-2^-deoxymugineicacidME8609090.890.791.141.44
(R)-AcetoinME8608000.860.811.191.43
(2R)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acidME8607801.050.701.421.36
Amide C18ME8609681.110.641.301.41
Amide C22ME8609691.010.771.141.37
ethyl 1-{[1-benzyl-3-(tert-butyl)-1H-pyrazol-5-yl]carbonyl}-4-piperidinecarboxylateME8610391.060.751.221.35
LauramideME8610931.040.711.231.39
246I1D7TDLME8608671.020.731.201.40
(3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien-3-imineME8607861.030.741.211.38
(2E,6Z)-N-Ethyl-2,6-nonadienamideME8607750.910.821.281.37
MM3670000ME8611260.990.791.301.32
valpromideME8612600.990.811.321.30
Petromyzonol24-sulfateME8611990.760.730.981.67
(5S)-5-hydroxy-1,7-diphenylheptan-3-oneME8607910.700.681.051.75
KorecME8610890.650.671.041.83
(2E)-hexadecenoylcarnitineME8607700.630.600.851.97
IprovalicarbME8610800.680.710.811.79
Notoamide EME8611670.570.901.091.60
1-{3-Hydroxy-3-[(2E,4E,6Z,8E,10E,12E,14Z,16E)-6,11,15-trimethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16-heptadecaoctaen-2-yl]-2-oxiranyl}ethanoneME8608280.700.871.091.53
D-PipecolicacidME8610330.680.931.011.47
Lasalocid AME8610920.730.771.191.61
N-Phenylcarbamoyl 3-amino-2-[4-(trifluoromethyl)piperidino]pyridine ethanolateME8611730.700.661.331.74
D-Lysyl-L-valyl-D-valyl-L-allothreonineME8610290.611.000.581.53
N-(3-Oxododecanoyl)homoserinelactoneME8611320.630.980.401.57
fluromidineME8610460.880.850.371.51
N-acetyl-DL-cysteineME8611420.920.880.421.44
clocinizineME8609980.960.830.581.41
IsopreneME8610840.880.860.511.46
CyprodenateME8610081.080.600.711.59
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacidME8608100.880.730.661.61
2-MethylnicotinamideME8608850.910.770.801.50
3-(Isothiocyanatomethyl)-1H-indoleME8609010.910.830.711.47
1-(1Z-hexadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamineME8608121.490.830.910.92
RilmenidineME8612191.410.870.850.93
1-myristoyl-2-oleoyl-sn-glycero-3-phosphoethanolamineME8608401.301.020.920.85
2-Isobutyl-3-methoxypyrazineME8608801.310.930.940.92
DD9275000ME8610111.310.900.970.98
AphyllineME8609751.310.710.951.17
N-EthylamphetamineME8611531.330.770.831.14
CETABENME8609961.250.850.931.10
EthephonME8610371.220.830.961.12
2-[(1Z)-1,2-Diamino-1-propen-1-yl]phenolME8608621.200.870.901.12
(2Z,4E)-1-(1-Piperidinyl)-2,4-icosadien-1-oneME8607831.250.840.881.12
2-MethylpropanaloximeME8608871.290.890.761.03
iminoquinolineME8610761.240.850.801.11
4-(3,5-Diphenylcyclohexyl)phenolME8609201.420.780.771.04
TerminalineME8612351.450.700.841.11
KJ9800000ME8610881.430.801.021.00
(7alpha,18S,20R)-12,20-CycloormosanineME8607921.420.700.991.13
OxomemazineME8611901.420.731.051.09
MoxisylyteME8611270.850.850.911.44
2-Aminoacetophenone;O-AcetylanilineME8608710.900.920.881.32
CryptophorineME8610020.930.860.911.37
glutethimideME8610550.910.860.861.39
Levamisole hydrochlorideME8610970.980.910.891.28
N,N-Dimethyl-N-phenylureaME8611340.970.950.881.22
Pantothenicacid(VitaminB5)ME8611941.150.880.841.16
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanolME8607651.060.910.861.20
(R)-6-HydroxynicotineME8607991.070.910.911.18
L-gamma-Glutamyl-L-hypoglycinME8610981.060.791.081.30
MeclizineME8611061.020.800.991.34
PinidineME8612061.050.800.921.32
5-Undecyl-1,2-dihydro-3H-pyrrol-3-oneME8609441.120.831.001.21
TridemorphME8612461.060.921.071.15
AmorolfineME8609721.000.911.061.21
LeucinamideME8610950.970.921.051.21
2-AminophenolME8608721.040.851.061.26
(-)-cassineME8607541.020.871.001.25
dicyclohexylcarbodiimideME8610211.390.670.661.24
2-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-1,4-naphthoquinoneME8608631.250.690.561.37
TRILAURYLAMINEME8612471.320.730.541.25
4-Hydroxy-L-threonineME8609291.180.770.821.28
[FAhydroxy(4:0)]N-(3S-hydroxy-butanoyl)-homoserinelactoneME8608081.200.720.841.30
arg-asnME8609781.190.770.681.29
methylguanidineME8611191.140.850.761.21
MexiletineME8611211.100.840.731.26
3-MethylcrotonylglycineME8609131.100.680.841.43
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3-phosphocholineME8608221.170.660.661.46
1-tetradecyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholineME8608471.170.720.681.38
AdenineME8609611.180.690.671.41
1,26-Hexacosanediyl (2E,2^E)bis[3-(3,4-dihydroxyphenyl)acrylate]ME8608181.120.710.601.44
delcorineME8610141.120.760.631.38
MethylcyclopentaneME8611181.480.461.021.37
2-Methyl-6-undecylpiperidineME8608831.220.611.111.39
NP-002105ME8611681.260.621.051.37
BORRELINEME8609881.260.620.921.39
(2R)-1-(Phosphonooxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoateME8607761.130.690.981.39
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridineME8609451.180.720.971.31
prolintaneME8612111.200.681.001.34
ISOXYLME8610860.511.231.441.19
gamma-Glutamyl-gamma-aminobutyraldehydeME8610510.840.621.771.60
Methyl 15-cyanopentadecanoateME8611140.750.701.791.58
RH0365500ME8612180.850.721.981.41
trans-2-DodecenoylcarnitineME8612450.730.851.821.41
(-)-trans-CarveolME8607581.210.491.381.51
DicyclomineME8610221.040.541.521.56
FingolimodME8610440.990.581.611.55
2-Ethyl-4,5-dimethylthiazoleME8608761.130.541.721.45
Methyl diisopropyl propionamideME8611160.990.611.781.46
2-IsobutoxypyrazineME8608791.380.691.971.00
L-(+)-ValineME8610901.220.821.910.98
N-lauroylglycineME8611601.210.741.801.12
2-(1-Methyl-2-piperidinyl)-1-phenylethanolME8608480.970.912.001.10
(3E,5E,7E,9E,11E,13E,15E,17Z,19E)-5,9,14,18-Tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5,7,9,11,13,15,17,19-icosanonaen-2-oneME8607840.910.972.061.06
(-)-BorneolME8607530.900.961.981.09
2-Amino-4-[(3-aminopropyl)amino]butanoic acidME8608700.821.041.871.06
MTICME8611280.791.011.791.16
3-DehydroxycarnitineME8609081.000.951.761.03
ethyl dibunateME8610411.020.811.651.22
NFPME8611540.990.881.681.15
ImagabalinME8610741.080.891.631.07
PropylhexedrineME8612121.090.831.581.15
N-Acetyl-L-leucineME8611450.850.931.511.26
N-HeptadecanoylglycineME8611550.920.841.541.30
StiripentolME8612300.910.851.461.31
3-Methyl-3-phenylazetidineME8609111.030.741.601.31
Yellow OBME8612620.890.811.661.33
OxibendazoleME8611890.720.981.541.29
PanobinostatME8611930.710.851.561.47
GW7191000ME8610621.370.681.231.15
spironolactoneME8612271.430.611.221.17
N-Acetyl-D-quinovosamineME8611431.290.701.391.16
2-Amino-3-hydroxyoctadecyl beta-D-glucopyranosideME8608691.270.761.351.12
NX4900000ME8611801.260.771.301.10
AtagabalinME8609801.300.821.640.93
GlabrolME8610541.380.761.420.99
GeosminME8610521.430.841.480.87
N-HydroxydecanamideME8611571.370.841.480.89
NicotinamideME8611581.401.121.000.61
1,5-Dimethylbicyclo(3.2.1)octan-8-one oximeME8608211.640.771.200.81
1,1^-(3,5-Pyridinediyl)di(1-decanone)ME8608161.500.911.050.79
NP-008993ME8611691.470.901.230.80
PM-Toxin AME8612091.430.951.230.77
N-cyclohexyl-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamideME8611491.360.881.150.91
7-(1-Ethoxyethoxy)-4,10-dimethyl-3,5,9,11-tetraoxatridecaneME8609511.310.981.210.82
IndaneME8610781.260.971.230.89
GabapentinME8610491.140.801.141.21
2-PhenylcyclopropanamineME8608941.160.811.221.17
2-Piperazinecarboxylic acidME8608961.130.821.181.18
17-amino-5?-androstan-11-olME8608321.020.871.241.18
2,4-Dimethyl-5,6,7,8-tetrahydroquinolineME8608591.070.881.231.16
CyclohexaneME8610051.110.871.161.15
NigrifactinME8611591.050.921.211.13
TropinoneME8612501.100.911.191.10
OleamideME8611851.240.771.111.19
FumaricacidME8610481.220.841.051.08
DimethylaminopropionylphenothiazineME8610261.190.841.071.15
Istamycin C1ME8610871.220.831.131.12
IsoquinolineME8610851.330.761.141.10
D-CathinoneME8610101.280.801.231.06
PaspalinineME8611951.220.881.201.04
4,4^-diapolycopen-4-alME8609231.190.811.471.11
4-Methyl-2-propyloxazoleME8609331.150.861.461.07
2,4-DiaminotolueneME8608570.990.891.501.15
LeucamineME8610941.010.921.441.12
MACAMIDE 1ME8611040.950.941.431.15
2-MethylpropanalO-methyloximeME8608861.040.941.421.07
MethylimidazoleacetaldehydeME8611201.040.941.441.07
2,3-Diethyl-5-methylpyrazineME8608541.070.931.401.06
Imidazole-4-acetaldehydeME8610751.060.941.361.05
Pent-1-eneME8611971.060.881.361.14
(2E,4E,16Z)-1-(1-Piperidinyl)-2,4,16-icosatrien-1-oneME8607711.110.861.381.12
DexamisoleME8610181.100.901.351.10
PiperidineME8612081.030.931.351.11
4-MethoxyanilineME8609321.020.911.301.14
N-(6-Aminohexanoyl)-6-aminohexanoateME8611331.040.911.281.15
undecenalME8612541.121.001.160.98
Melilotoside A2ME8611071.050.981.111.07
TolperisoneME8612421.041.021.151.04
DicyclohexylamineME8610201.100.981.101.02
2-HydroxyphenethylamineME8608781.110.951.141.04
2-Amino-3-hydroxy-15-methyl-1-hexadecanesulfonic acidME8608681.110.921.131.09
ConiineME8609991.090.941.131.07
N-MethyldioctylamineME8611611.050.981.261.03
4-VinylpyridineME8609361.001.031.261.03
Pifithrin-?ME8612051.021.021.271.04
Capsi-amideME8609950.970.981.261.11
DimethylbenzimidazoleME8610271.030.971.211.09
(14E)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 2-O-butyryl-3,4,6-trideoxy-3-(dimethylamino)hexopyranosideME8607620.980.991.211.10
N-MethylphenylethanolamineME8611620.990.971.181.13
DeanolME8610121.140.941.251.02
GraveolineME8610591.140.961.230.99
APMME8609761.100.951.311.03
N_N-Dimethylsphing-4-enineME8611361.150.971.330.97
nufenoxoleME8611781.061.111.250.88
1_2-DiaminobenzeneME8608241.061.051.280.95
PregabalinME8612101.061.041.300.95
mephentermineME8611091.041.011.350.99
n-HexanamideME8611561.011.051.370.97
Z-Arg-ArgME8612630.701.111.101.22
(R)-2-Methylimino-1-phenylpropan-1-olME8607970.671.071.281.26
TetramethylureaME8612360.741.121.271.12
3-(7^-Hydroxy-4b^,8^,8^,10a^-tetramethyl-5-oxotetradecahydro-2^H-spiro[furan-3,1^-phenanthren]-2^-yl)-1-(4-methyl-5-oxotetrahydro-2-furanyl)-2-butanyl acetateME8609000.900.961.251.21
UX9465930ME8612580.920.931.271.22
(cyclohexylmethyl)pyrazineME8607950.841.021.211.19
CaprolactamME8609930.901.021.201.13
3-PhosphonooxypyruvateME8609150.900.981.261.17
deoxyhypusineME8610160.891.001.231.16
indanazolineME8610770.821.021.041.23
6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amineME8609480.880.951.051.28
PyridineME8612140.910.931.081.26
17-OXO DEXAMETHASONEME8608330.940.951.131.20
4^-(2-{[3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl]amino}ethoxy)-3^-methoxy-4-biphenylolME8609190.890.981.101.22
sedamineME8612200.910.961.061.20
CholineME8609970.871.061.381.09
HexylamineME8610670.961.061.211.04
D-2-Amino-hexano-6-lactamME8610090.911.111.201.02
AnatabineME8609740.921.121.230.99
ARECOLINEME8609770.891.121.261.00
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1,4-benzenediolME8608550.851.111.141.08
N-Sulfo-D-glucosamineME8611760.851.191.140.99
AcetylcadaverineME8609580.861.191.730.87
GuanineME8610610.841.131.720.98
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoateME8607891.011.131.760.83
Naphthalen-2-amineME8611471.031.091.610.86
(S)-CarnitineME8608011.061.181.430.77
2-[(11Z,14Z)-icosadienoyl]-sn-glycero-3-phosphoethanolamineME8608611.091.101.460.82
(+)-calycanthidineME8607591.111.141.480.77
ForasartanME8610471.121.131.520.76
5-Ethyl-4-methyl-2-octylthiazoleME8609401.021.071.430.93
AlfentanilME8609651.021.061.480.95
PhenmetrazineME8612030.941.091.470.98
1-NitrosopiperidineME8608410.931.151.420.92
5-Methyl-4-pentyl-3,4-dihydro-2H-pyrroleME8609430.951.111.400.95
5-AminopentanamideME8609391.090.961.490.99
PyrrolidineME8612160.981.001.611.02
tuaminoheptaneME8612520.961.001.541.05
9,19-Cyclolanost-24-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylateME8609550.641.451.370.81
DecarbamoylsaxitoxinME8610130.741.331.460.84
2-Isopropyl-3-methoxypyrazineME8608810.781.291.520.85
SelsunME8612210.781.291.470.87
SteroidO-sulfateME8612290.931.221.570.77
2-HexenoylcarnitineME8608770.931.201.400.86
TX1575000ME8612530.901.231.480.82
2_2^-IminodipropanoateME8608650.651.291.720.93
2-Ethyl-2-phenylmalonamideME8608750.711.211.521.02
Acetyl-L-carnitineME8609590.621.860.080.53
SpermineME8612240.651.780.270.55
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamineME8608361.191.380.580.55
2_3-Bis-O-(geranylgeranyl)glycerol1-phosphateME8608661.191.390.480.55
4,6-Diamino-5-formamidopyrimidineME8609241.121.440.440.56
D-ProlineME8610341.061.380.350.71
AcetoneoximeME8609571.051.420.270.68
THREONIC ACID, L-ME8612371.031.430.260.69
(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphateME8607791.021.590.350.47
Methyl 4-{[6-deoxy-2,3,4-tri-O-methyl-alpha-L-galactopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-2-O-methyl-alpha-L-mannopyranosyl]oxy}benzoateME8611151.061.500.310.55
Sphinganine;2-Amion-1_3-octadecanediolME8612251.061.480.320.58
BamethanME8609830.811.820.720.31
MFCD02259286ME8611220.881.750.680.35
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoateME8607770.871.640.580.51
N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholineME8611350.871.630.580.52
PF-04965842ME8612000.921.560.520.54
spirilloxanthinME8612260.971.590.450.50
NPYRME8611741.271.250.070.70
UQ3675000ME8612561.531.120.450.59
1-oleoyl-2-linoleyl-sn-glycero-3-phosphoethanolamineME8608421.441.270.330.51
MethoxyphenamineME8611121.311.220.440.65
4-AminopyridineME8609271.311.100.670.75
PEG-4ME8611961.321.120.660.73
(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (9Z)-9-tetradecenoateME8607811.421.030.820.75
1-(1Z-hexadecenyl)-2-oleoyl-sn-glycero-3-phosphoethanolamineME8608131.451.060.660.72
1-Ethyl-1H-pyrrole-2-carboxaldehydeME8608351.490.990.660.73
MiglitolME8611241.290.990.720.90
N-UndecanoylglycineME8611791.191.120.650.86
1,2-DihydropyrimidineME8608191.211.060.540.91
L-isoglutamineME8610991.251.090.570.84
dimetamfetamineME8610251.371.040.230.85
Tris(hydroxymethyl)aminomethaneME8612491.431.020.430.79
5-MethoxybenzimidazoleME8609411.360.880.391.05
PyrimidineME8612151.151.090.210.99
6-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}-2-pyridinecarbonitrileME8609461.171.080.340.94
Menaquinone 8ME8611081.271.060.300.93
HydroxynorleucineME8610721.250.900.231.14
N-NitrosodiethylamineME8611641.281.000.181.01
QuinoxalineME8612170.581.210.351.34
3-Amino-3-(4-hydroxyphenyl)propanoateME8609050.561.450.491.04
4-GuanidinobutanalME8609280.831.150.461.15
MFCD24849356ME8611230.801.130.461.23
D-PhenylalanineME8610320.601.310.381.18
2-MethylpyrrolidineME8608890.751.240.321.13
ethambutolME8610360.731.310.411.06
1-PyrrolineME8608460.711.350.551.01
(1S,6S)-6-Aminooctahydro-1-indolizinyl acetateME8607630.701.240.591.15
CyanopyrazineME8610030.781.490.500.76
DinitrosopentamethylenetetramineME8610280.611.600.500.77
(2-Chlorophenyl)diphenylmethanolME8607670.701.610.760.66
Ethinylestradiol sulfonateME8610380.611.540.700.82
N-(3-acetamidopropyl)pyrrolidin-2-oneME8611310.951.430.650.68
allopurinolME8609671.121.320.620.68
Ala-Pro(Alanyl-Proline)ME8609641.021.270.550.83
PiperazineME8612071.081.300.530.75
(R)-2_3-Dihydroxy-3-methylpentanoateME8607960.911.240.790.90
Mammea A/AAME8611050.861.240.680.99
delta-GuanidinovalericacidME8610150.811.260.801.00
N8ONU3L3PGME8611410.781.290.730.99
(24R_24^R)-FucosterolepoxideME8607660.791.400.660.86
GuanadrelME8610600.771.440.660.80
3-MethylcyclopenteneME8609140.771.360.630.92
2,4,6-triaminotolueneME8608560.831.340.660.90
D-MethionineME8610300.851.350.650.88
1_8-Diazacyclotetradecane-2_9-dioneME8608270.951.260.640.88
DolichothelineME8610310.831.360.550.86
N-DesmethyltramadolME8611510.881.290.570.90
Palmitoyl SerinolME8611920.861.310.550.93
(-)-SalsolineME8607570.851.420.270.82
(R)-3-HydroxybutanoateME8607980.911.260.440.97
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamideME8607740.911.300.440.92
GramineME8610580.931.270.390.92
N-Acetyl-O-demethylpuromycinME8611460.981.020.631.17
4-NitroanilineME8609341.040.990.591.17
1-[1-(1-Benzothiophen-2-yl)ethyl]ureaME8608231.080.950.621.18
2-PipecolineME8608951.060.940.631.20
2-Deoxy-2-(dimethylamino)-alpha-D-glucopyranoseME8608730.990.900.681.27
Hexadecanamide;PalmiticamideME8610650.900.970.641.30
afegostatME8609621.091.030.621.04
TrimethylpyrazineME8612481.131.010.701.04
[FAoxo(6:0)]N-(3-oxo-hexanoyl)-homoserinelactoneME8608091.051.160.510.93
StachydrineME8612281.051.150.510.96
4-(1,2-Dihydroxy-2-propanyl)-1-methyl-1,2-cyclohexanediolME8609170.991.100.631.05
DiethanolamineME8610230.971.150.621.01
Ggamma-L-Glutamyl-L-glutamicacidME8610530.861.090.731.17
PhenethylamineME8612020.841.120.721.14
6^-Apo-y-caroten-6^-alME8609470.891.030.761.19
MeptazinolME8611100.861.070.791.19
(S)-NicotineME8608020.961.040.811.12
1,1-Diethoxy-3-(methylthio)propaneME8608170.951.090.711.10
Methyl N-formylnorleucylleucylphenylalaninateME8611170.951.060.731.12
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-oneME8609020.761.140.831.12
1,4-DimethylimidazoleME8608200.881.120.841.09
[FA(16:2)]N-hexadecyl-ethanolamineME8608050.831.160.801.10
Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4,8,13,17,21,25-hexamethyl-2,4,6,8,10,12,14,16,18,20,24-hexacosaundecaenoateME8611130.911.180.811.01
N-Cyclohexyl-N-methylcyclohexanamineME8611500.921.150.711.05
2P5MU968XWME8608910.831.210.931.00
PhenelzineME8612010.841.220.960.98
SulfateME8612310.851.141.031.07
NSC 622050ME8611750.891.151.051.01
AcmimycinME8609600.871.160.981.03
EtiracetamME8610420.901.161.000.99
N-PentacosanoylglycineME8611721.031.130.850.97
11-Aminoundecanoic acidME8608301.001.130.810.99
BenzylamineME8609851.031.100.800.98
(1Z,3S,4Z,6S,7E,9S,15aR)-9-sec-Butyl-1,4,7-trihydroxy-3-[(6R)-6-hydroxyoctyl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-oneME8607640.991.120.950.98
1_4-LactoneME8608260.971.130.890.97
2,4-DIMETHYL-2-IMIDAZOLINEME8608580.961.100.911.03
LQ1825000ME8611000.961.110.921.01
2-MethylcholineME8608840.941.090.881.07
Nornicotine;L-Nor-nicotineME8611660.961.070.871.09
4-HydroxymethylphenylhydrazineME8609300.991.070.931.04
MyristamideME8611291.021.050.901.06
CyclohexylamineME8610071.110.970.821.08
TalampanelME8612321.120.940.981.09
2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriolME8608501.051.000.931.08
Nonane-4_6-dioneME8611651.071.000.921.07
TryptolineME8612511.200.950.841.04
6-MethylnicotinamideME8609491.210.990.890.96
BenzamidineME8609841.220.990.830.97
HordenineME8610711.190.960.961.00
solenopsinME8612231.141.001.000.99
(-)-PhaseollinME8607561.141.030.880.98
(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oximeME8607871.071.070.930.98
(+/-)-EucalyptolME8607611.121.050.950.95
Militarinone AME8611251.171.131.020.81
(2E,4Z,12E)-1-(1-Piperidinyl)-2,4,12-octadecatrien-1-oneME8607731.221.041.050.85
butoctamideME8609901.181.071.010.88
Crotono-betaineME8610011.141.070.990.91
OrmosanineME8611880.971.041.041.06
1-(4-Hydroxyphenyl)-2-aminoethanolME8608140.931.181.060.93
Eudesobovatol AME8610430.981.151.080.93
TocainideME8612411.011.091.120.97
AL9450000ME8609630.991.101.020.99
ODAME8611830.991.111.070.97
Glycerol 5-hydroxydodecanoateME8610561.061.121.100.86
N-MethylpyridiniumME8611631.061.131.100.88
PhentermineME8612041.051.081.030.92
[FAamino(5:0)]2S-amino-pentanoicacidME8608071.081.061.100.92
(-)-LupinineME8607551.091.071.130.93
4-TrimethylammoniobutanalME8609351.031.061.070.99
C18-CarnitineME8609911.091.051.070.97
O-behenoylcarnitineME8611811.001.480.940.53
HexoprenalineME8610660.841.510.790.66
AtipamezoleME8609810.841.440.960.73
CapryloylglycineME8609940.821.450.990.71
3-Carboxy-1-methylpyridinium;N-MethylnicotinicacidME8609070.861.470.870.67
Bis(2-chloroethyl)amineME8609870.861.430.910.71
4-(hydroxylamino)-N,N-dimethylanilineME8609221.021.310.810.75
3-(1-Piperazinyl)benzisothiazoleME8608981.061.300.810.73
.alpha.-NaphthylthioureaME8608031.051.280.830.76
7-chloro-2-methyl-3-(tetrahydrofuran-2-ylmethyl)-3,4-dihydroquinazolin-4-oneME8609530.991.340.880.70
TramadolME8612430.951.350.900.74
2-Oxo-3-(phosphonooxy)propyl formateME8608901.021.270.930.76
N1-(5-methylisoxazol-3-yl)-2-cyano-3-(4-cyanophenyl)acrylamideME8611371.021.310.950.70
1-PhenylethylamineME8608451.011.200.930.83
HistamineME8610680.921.300.870.82
O-heptanoylcarnitineME8611840.941.280.970.83
2-MethylpropanamineME8608880.981.281.110.75
2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamideME8608510.921.341.030.75
3-Methylbut-2-enalME8609120.941.341.070.74
(4-methylphenyl)[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazino]methanoneME8607881.071.301.150.64
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-oneME8609031.111.241.010.70
6-methyltetrahydropterinME8609501.091.321.030.64
HMBAME8610691.051.321.040.67
fluocortolone pivalateME8610451.101.120.860.91
CreatinineME8610001.101.160.860.84
N2-tetrahydrofuran-2-ylmethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amineME8611391.101.190.850.79
L-?,gammME8610911.121.190.740.82
LucidulineME8611011.121.180.740.80
Isoleucine - 6C13ME8610821.141.210.790.77
ThymidineME8612381.131.200.750.76
11-Nitro-1-undeceneME8608311.051.150.770.89
Epinephrine(OrL-Adrenaline)ME8610351.121.120.780.87
N6_N6_N6-Trimethyl-L-lysineME8611401.141.130.730.87
1-MethylguanineME8608381.121.320.860.64
Calystegin B2ME8609921.151.270.820.65
(2E)-2,3-Diphenyl-3-(2-pyridinyl)acrylonitrileME8607691.261.200.810.68
tranexamic acidME8612441.181.200.900.71
5,5^,6,6^-Tetrahydro-3^,6^-epoxy-beta,beta-carotene-3,5,5^,6-tetrolME8609370.811.341.040.85
5-Methoxy-N_N-dimethyltryptamineME8609420.781.391.110.81
Gly-Pro(Glycylproline)ME8610570.901.311.160.78
N-benzyl-N-isopropyl-N^-[4-(trifluoromethoxy)phenyl]ureaME8611480.861.291.210.83
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidineME8608740.841.251.250.89
2,2^-Iminodipropan-1-olME8608520.781.321.140.89
(3R)-beta-LeucineME8607850.771.311.200.89
4-(1,2,3-thiadiazol-4-yl)phenyl pivalateME8609160.881.371.320.67
DiethylamineME8610241.001.221.280.78
2,3-Bis(octanoyloxy)propanimidic acidME8608530.701.230.921.11
AmidrineME8609700.771.380.870.87
IE1225000ME8610730.691.380.930.93
TO0110000ME8612390.631.430.860.93
?-ConiceineME8608041.930.731.520.54
PALGLYME8611911.690.742.200.63
PentahomoserineME8611980.920.862.621.09
Zizyphine AME8612641.150.782.590.99
(2E)-1-(4-Hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-2-propen-1-oneME8607681.071.082.580.68
mesaconitineME8611111.030.972.820.81
Cyclo(leucylprolyl)ME8610040.761.102.450.96
n-Dibutyl sulfideME8611521.110.902.300.92
Iridodial glucoside tetraacetateME8610810.931.102.140.86
ValeroidineME8612591.091.152.180.66
HO-dPEG8-OHME8610700.540.742.681.55
CyclohexapyrazineME8610061.120.562.261.35
IsoniazidME8610831.050.572.301.38
TaurocholateME8612330.120.472.902.24
Pumiliotoxin 251DME8612130.610.461.542.04
ethyl 2-{4-[(4-methoxyphenyl)methylene]-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl}acetateME8610400.520.681.481.85
NP-009373ME8611700.490.581.382.01
Heptaethylene GlycolME8610630.540.571.831.91
WLHME8612610.320.401.722.34
1_2-DihydrovomilenineME8608250.490.371.762.23
N1-bicyclo[2.2.1]hept-2-yl-2-{4-[(dipropylamino)sulfonyl]benzoyl}hydrazine-1-carbothioamideME8611380.430.461.672.18
NP-016596ME8611710.430.511.752.10
aspergillic acidME8609790.350.290.552.65
OLEOYL TYROSINEME8611860.410.310.612.57
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-oneME8607900.460.421.042.31
DichlorocarbeneME8610190.630.390.932.22

Factors:

F1Sample source:Optic Nerve | Treatment:Control
F2Sample source:Optic Nerve | Treatment:Crush
F3Sample source:Optic Nerve | Treatment:QC
F4Sample source:Optic Nerve | Treatment:Sham
Data matrix
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