Clustering data with hclust algorithm for (Study ST003877)

(Analysis AN006369)
MetaboliteStructureF1F2
5^-O-MethylmelledonalME10220871.820.18
gamma-L-Glutamyl-L-pipecolic acidME10220941.510.49
Tabtoxinine-delta-lactamME10220691.530.47
IsokobusoneME10221600.611.39
4-HydroxystachydrineME10221270.631.37
13,14-dihydro-15-keto Prostaglandin D2-d4ME10220950.631.37
1,8-Menthadien-2-olME10221810.631.37
Vinaginsenoside R12ME10221130.721.28
17-Hydroxy-E4-neuroprostaneME10220930.711.29
FormylisoglutamineME10221990.701.30
(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanoneME10222170.661.34
DeferiproneME10220440.681.32
m-XyleneME10222100.681.32
PA(21:0/20:3(8Z,11Z,14Z)-2OH(5,6))ME10221300.451.55
Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-ME10222390.441.56
Humulenol IIME10221350.431.57
7,8-DiaminononanoateME10221280.521.48
DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)ME10220350.531.47
SM(d18:1/LTE4)ME10221170.511.49
PA(10:0/PGF1alpha)ME10222420.501.50
PirfenidoneME10222060.501.50
2-n-Propylthiazolidine-4-carboxylic acidME10220790.551.45
Octadecanedioic acidME10221240.581.42
2-Hydroxy-cis-hex-2,4-dienoateME10222151.370.63
5-FormiminotetrahydrofolateME10222441.370.63
1-Cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)ureaME10221181.340.66
CyclooctatinME10221141.310.69
Gramicidin SME10221251.310.69
20alpha-DihydroprogesteroneME10221221.250.75
Feruloyldihydro-beta-sitosterolME10220371.240.76
CDP-DG(16:0/PGF1alpha)ME10222111.210.79
6,10-dimethyl-9-methylene-undec-5E-en-2-oneME10221841.230.77
DG(18:0/18:3(10,12,15)-OH(9)/0:0)ME10220321.220.78
14-Eicosatetraynoic acidME10221071.180.82
HydroxyureaME10222161.170.83
2E,4Z-HeptadienalME10221781.170.83
3-MethylcyclopenteneME10221671.170.83
17-hydroxyprogesterone caproateME10221161.150.85
4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-alME10221621.140.86
5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-oneME10221821.140.86
N-(3-Hydroxypropyl)valineME10222410.901.10
Lithocholate 3-O-glucuronideME10220420.901.10
CarbazoleME10222000.901.10
2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-oneME10222580.901.10
4-Hydroxy-L-threonineME10221960.901.10
Pectenotoxin 2ME10222340.891.11
NorecasantalolME10221510.891.11
DG(15:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0)ME10220430.891.11
MepivacaineME10222310.891.11
Eicosapentaenoyl EthanolamideME10220410.841.16
2,3-DihydroxycarbamazepineME10220680.841.16
cis-Linoleic acidME10221460.841.16
(????)-trans-NerolidolME10221190.831.17
Squamostanal AME10220190.831.17
cis-p-Menth-2-en-1-olME10221690.831.17
LersivirineME10220470.831.17
Partricin AME10222470.871.13
beta-santalolME10222350.871.13
3,4-Dimethyl-5-pentyl-2-furanpentadecanoic acidME10220290.871.13
4E,8-NonadienalME10221710.871.13
Shikimate 3-phosphateME10222300.881.12
(R)-5-DiphosphomevalonateME10222180.881.12
DalamidME10222120.881.12
D-erythro-D-galacto-octitolME10221430.881.12
UndecaneME10221650.861.14
NeoandrographolideME10221120.861.14
Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside]ME10221740.861.14
Gln Gln Cys GlnME10222030.861.14
FluorohydrocortisoneME10220720.861.14
AsparaginylglycineME10222020.861.14
Caprylic acidME10222240.861.14
xi-5-Hydroxydodecanoic acidME10221830.851.15
(R)-LipoateME10222220.851.15
L-FurosineME10222360.851.15
LinoleylanilideME10220210.851.15
Curcumin IIME10220540.821.18
6-BenzylaminopurineME10220640.811.19
N-Myristoyl GlutamineME10220240.811.19
(E)-3-Hexen-1-olME10221550.801.20
Cohibin CME10220220.801.20
BiocytinME10221410.801.20
11-Meo-fesME10222380.801.20
1,3-DiisopropylbenzeneME10221590.801.20
Deoxycholic acid 3-glucuronideME10221010.791.21
iso-pentylME10222130.791.21
4-TiglylcarnitineME10220960.741.26
Glucitol-lysineME10222080.761.24
Serylvalylglycylglutamic acidME10222430.771.23
SM(d18:0/18:1(9Z)-O(12,13))ME10220330.771.23
CyclopentanolME10221491.090.91
15-keto-PGF1alphaME10221031.090.91
8-methoxy-13-hydroxy-9,11-octadecadienoic acidME10222541.090.91
Methionyl-ValineME10220461.100.90
EctocarpenME10221581.100.90
cis-MethylbixinME10220891.100.90
(2s)-2-[[(2s)-2-Acetamido-5-[[n-(Methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-Methyl-Amino]-3-Phenyl-Propanoic AcidME10220701.100.90
Ala-Ala-AlaME10221981.100.90
N-Docosahexaenoyl GlycineME10220751.110.89
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-oneME10221331.110.89
N-AcetylsphinganineME10220251.110.89
Dihydroclavaminic acidME10222201.130.87
FeruloylagmatineME10220651.120.88
L-Gulonic ??-lactoneME10220801.120.88
Sabinene hydrateME10222491.050.95
Palmitic amideME10221761.050.95
N-(Dimethylamino)methylene-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)guanineME10220561.050.95
FudosteineME10220601.050.95
exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-olME10221571.050.95
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-oneME10222601.050.95
3beta,7alpha-Dihydroxy-5-cholestenoateME10220341.050.95
DG(18:3(9,11,15)-OH(13)/18:0/0:0)ME10220381.040.96
Pantoyllactone glucosideME10220591.040.96
N-Desmethyl TopotecanME10220451.080.92
Chembl4238926ME10220991.080.92
4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-oneME10222331.080.92
6-Amino-N-[6-keto-6-(6-ketohexylamino)hexyl]hexanamideME10220741.080.92
GDPME10222501.060.94
2-Ethyl-6-hydroxyhexanoic acidME10221791.060.94
(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-oneME10220781.060.94
2-(7^-methylthio)heptylmalateME10221311.060.94
(R)-3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-oneME10220761.070.93
PM-Toxin AME10221921.070.93
HexadecenoylcarnitineME10220271.070.93
CyclododecanoneME10221501.070.93
AsparaginylarginineME10220631.070.93
2,3,4,5,6,7-Hexahydro-7-methylcyclopent[b]azepin-8(1H)-oneME10222191.070.93
5-O-[2-(4-Benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylateME10221931.070.93
PE(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))ME10222320.971.03
Muricin DME10221380.971.03
C17 SphinganineME10222560.971.03
Asn Ile Asp LysME10221020.971.03
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-17-oneME10221080.971.03
3-HexenalME10221420.971.03
3-Indoleacetic AcidME10222210.971.03
Ethyl menthane carboxamideME10221850.951.05
DihydroceramideME10220260.951.05
DG(18:2n6/0:0/20:4n3)ME10220390.951.05
Chenodeoxycholic acid sulfateME10221040.951.05
7-MethylguanineME10222550.951.05
3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-oneME10220500.951.05
2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-olME10221210.951.05
(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-olME10221800.951.05
1,3,5,11-Bisabolatetraen-10-oneME10221360.951.05
1,4,9-CadinatrieneME10222620.951.05
PS(18:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))ME10222590.961.04
PC(22:3(10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))ME10221200.961.04
N-Stearoyl CysteineME10220310.961.04
HydroxypelenolideME10221150.961.04
gibberellin A51-cataboliteME10220510.961.04
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoateME10220660.961.04
Cys Gly Arg SerME10222480.961.04
CaffeinolME10220550.961.04
AbscisateME10220830.961.04
9Z,11E,13-TetradecatrienalME10221720.961.04
4-(Aminobutyl)guanidineME10222610.961.04
5-(2-Aminopropyl)benzofuranME10222010.961.04
SorgolactoneME10220610.931.07
N-Palmitoyl IsoleucineME10220360.931.07
NifedipineME10222040.931.07
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-ME10222070.931.07
DG(20:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0)ME10220400.931.07
BuparvaquoneME10221940.931.07
alpha-SantalalME10221610.931.07
1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamineME10221100.931.07
3,5,5-Trimethyl-2-cyclopenten-1-oneME10221090.931.07
Sapidolide AME10220770.941.06
MethocarbamolME10220520.941.06
L-gamma-Glutamyl-(3R)-L-beta-ethynylserineME10220910.941.06
Coumarin 30ME10222260.941.06
cis-6,7-epoxy-9Z-heptadeceneME10221530.941.06
CalcitriolME10222520.941.06
AndrosterolME10222570.941.06
3-Amino-1-(3-(cyclohexylmethoxy)phenyl)propan-1-olME10222280.941.06
2,6-Diisopropyl-3-methylphenolME10221340.941.06
3,11,12-Trihydroxy-1(10)-spirovetiven-2-oneME10220620.941.06
N-[4-[Acetyl(3-aminopropyl)amino]butyl]-N-(3-aminopropyl)acetamideME10222510.911.09
Cyclohexane-1-carboxylateME10222450.911.09
3-[(1S,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z,8Z,11Z)-3-hydroxytetradeca-1,5,8,11-tetraen-1-yl]-3-oxocyclopentyl]propanoylcarnitineME10220570.911.09
5-L-Glutamyl-taurineME10221750.911.09
SambutoxinME10221110.921.08
Retinoic acidME10221890.921.08
PirmagrelME10221230.921.08
N-Myristoyl ArginineME10220300.921.08
D-UrobilinogenME10221470.921.08
DihydroshikonofuranME10220710.921.08
cis-Uvariamicin IBME10221730.921.08
cis-3-Hexenyl phenylacetateME10221880.921.08
(6E,8E)-4,6,8-MegastigmatrieneME10221910.921.08
8-Isoquinoline methanamine (hydrochloride)ME10222050.921.08
SM(d18:2(4E,14Z)/6 keto-PGF1alpha)ME10222371.030.97
Perilloside BME10220481.030.97
PC(18:1(12Z)-2OH(9,10)/P-18:1(11Z))ME10222531.030.97
IsofloxythepinME10220671.030.97
EvobiosideME10220981.030.97
3^^-Deamino-3^^-hydroxykanamycin BME10220811.030.97
(3xi,5Z)-1,5-Octadien-3-olME10221451.030.97
(??)-(Z)-2-(5-Tetradecenyl)cyclobutanoneME10221861.020.98
Vitamin D2ME10221701.020.98
Quercetin 3-O-diglucosideME10220841.020.98
LysoPE(P-18:1(9Z)/0:0)ME10220201.020.98
GlutaminylprolineME10220581.020.98
Coumarin 102ME10221001.020.98
Cyclohexa-2,4-dienylmethanolME10221391.020.98
Validone 7-phosphateME10222090.981.02
TecostanineME10221660.981.02
(S)-(-)-Perillyl alcoholME10221560.981.02
Rhizocticin AME10222460.981.02
PS(PGJ2/22:0)ME10221640.981.02
Parasorbic acidME10221630.981.02
N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-GlycineME10220850.981.02
LeurubicinME10220490.981.02
DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)ME10222630.981.02
DeoxyspergualinME10221680.981.02
Asp-Phe methyl esterME10221970.981.02
7,10-Hexadecadiynoic acidME10221370.981.02
1-PentanethiolME10221440.981.02
2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizineME10222290.981.02
trans-Cinnamic acidME10220530.991.01
PregnanediolME10221320.991.01
Pheophorbide aME10220730.991.01
His Arg His TrpME10222250.991.01
FuzilineME10220920.991.01
Docetaxel anhydrousME10221060.991.01
DG(8:0/15:0/0:0)ME10220230.991.01
Deoxycholic acidME10221290.991.01
Dehydroepiandrosterone sulfateME10220970.991.01
beta-Alanyl-L-lysineME10221260.991.01
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoateME10220860.991.01
2-Amino-3-methyl-1-butanolME10222270.991.01
2-AminoheptanoateME10221400.991.01
Trimethylolpropane trimethacrylateME10221481.001.00
Tanshinone IIAME10222231.001.00
PS(14:0/24:1(15Z))ME10221901.001.00
N-Myristoyl Glutamic acidME10221541.001.00
N1,N5,N10-Tris-trans-p-coumaroylspermineME10221871.001.00
IrofulvenME10220901.001.00
Blasticidin SME10220881.001.00
7(14)-Farnesene-9,12-diolME10222401.001.00
4-GuanidinobutanoateME10222141.001.00
2-Methyl-5-propyloxazoleME10221951.001.00
2-Ethoxy-1-methyl-4-(1-methylethyl)benzeneME10221521.001.00
20-Hydroxy-PGF2aME10220821.001.00
2-Amino-2-methyl-1,3-propanediolME10221771.001.00
4-Hydroxy-2,2,6,6-tetramethylpiperidine-1-oxylME10220281.010.99
Ixocarpalactone BME10221051.010.99

Factors:

F1Rat type:GF
F2Rat type:SPF
Data matrix
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