Clustering data with hclust algorithm for (Study ST000693)

(Analysis AN001071)
MetaboliteStructureF1F2F3
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-ME193934NA1.340.63
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-ME194053NA1.020.95
ARABITOL (CAS# 7643-75-6); (M+CL)-ME193984NA0.891.22
DGMP (CAS# 902-04-5); (M-H)-ME194045NA1.470.48
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-ME193954NA1.110.78
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+ME193975NA1.050.92
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-ME193978NA0.761.24
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-ME193939NA1.460.49
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-ME194012NA1.050.95
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-ME194064NA1.090.90
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-ME193971NA1.110.88
4-NITROPHENOL (CAS# 100-02-7); (M-H)-ME193961NA1.050.94
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-ME194038NA1.340.77
ARACHIDONATE (CAS# 506-32-1); (M-H)-ME193986NA0.961.05
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-ME194001NA1.590.41
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-ME193931NA1.160.82
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-ME194028NA1.050.98
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-ME193968NA0.341.13
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)-ME194044NA0.761.17
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-ME193948NA0.611.43
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-ME193927NA1.010.98
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-ME193928NA1.100.84
D-LYXOSE (CAS# 1114-34-7); (M+CL)-ME194029NA0.671.67
D-TAGATOSE (CAS# 87-81-0); (M+CL)-ME194033NA1.090.91
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]ME194066NA1.040.95
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-ME194011NA1.050.95
D-LYXOSE (CAS# 1114-34-7); (M-H)-ME194030NA0.791.21
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-ME194054NA0.721.31
AZELAIC ACID (CAS# 123-99-9); (M-H)-ME193989NA1.160.82
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-ME194010NA1.050.95
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-ME193942NA1.210.70
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-ME194015NA0.741.30
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-ME193965NA1.060.94
FUMARATE (CAS# 110-17-8); (M-H)-ME194058NA0.621.16
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O]ME193955NA0.591.41
GLUCONIC ACID (CAS# 526-95-4); (M-H)-ME194067NA0.291.71
2-HYDROXYBUTYRATE (CAS# ); (M-H)-ME193940NA1.210.73
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-ME194009NA1.520.48
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-ME194042NA0.921.08
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-ME193947NA1.190.79
CHOLATE (CAS# 81-25-4); (M-H)-ME194006NA1.450.50
D-ORNITHINE (CAS# 348-66-3); (M-H)-ME194031NA0.541.23
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-ME193946NA1.510.43
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-ME194008NA0.791.10
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-ME194035NA1.090.87
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-ME194048NA0.841.18
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-ME193943NA0.951.07
D-PSICOSE (CAS# 551-68-8); (M+CL)-ME194032NA1.090.91
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)-ME193949NA0.881.21
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-ME194039NA0.951.09
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-ME194052NA1.120.87
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-ME194056NA1.060.95
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-ME193945NA0.881.13
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-ME193929NA0.781.26
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)-ME194000NA1.050.95
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)-ME193981NA1.050.98
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-ME193970NA0.871.11
FRUCTOSE (CAS# 57-48-7); (M+CL)-ME194055NA1.090.91
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-ME193964NA1.050.95
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-ME193966NA0.911.13
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-ME193962NA0.811.21
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-ME193963NA0.871.79
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-ME193983NA0.971.03
ELAIDIC ACID (CAS# 112-79-8); (M-H)-ME194050NA1.050.95
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-ME193976NA1.180.80
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]ME193993NA0.951.05
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-ME193960NA0.891.12
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]ME193992NA0.891.13
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-ME193995NA0.881.04
CHOLATE (CAS# 81-25-4); (M+CL)-ME194005NA1.300.51
EDTA (CAS# 60-00-4); (M-H)-ME194049NA0.381.31
ADP-RIBOSE (CAS# ); (M-H)-ME193979NA1.150.51
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]ME193980NA0.631.41
CITRATE (CAS# 77-92-9); (M-H)-ME194014NA1.150.88
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (2M-H)-ME194022NA1.080.92
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-ME193969NA0.911.09
ASPARTATE (CAS# 56-84-8); (M-H)-ME193988NA1.140.94
FUMARATE (CAS# 110-17-8); (2M-H)-ME194057NA1.300.70
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)-ME194061NA0.991.01
ASPARAGINE (CAS# 70-47-3); (M-H)-ME193987NA1.110.78
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-ME194051NA1.120.87
CHOLATE (CAS# 81-25-4); (2M-H)-ME194004NA1.600.11
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-ME194069NA1.050.98
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-ME193933NA1.290.68
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-ME193944NA1.350.79
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-ME194062NA0.971.03
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-ME193932NA1.600.55
ACETOACETATE (CAS# 541-50-4); (M-H)-ME193973NA0.891.14
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)-ME193998NA1.520.65
ADENOSINE (CAS# 58-61-7); (M+HCOO)-ME193974NA1.210.76
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-ME193982NA1.210.73
DEOXYURIDINE (CAS# 951-78-0); (M-H)-ME194043NA1.090.78
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-ME194065NA1.100.89
CELLOBIOSE (CAS# 528-50-7); (M+CL)-ME194003NA0.791.21
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-ME193941NA0.721.28
CITRAMALATE (CAS# 2306-22-1); (M-H)-ME194013NA0.441.56
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)-ME193937NA1.050.92
CYTIDINE (CAS# 65-46-3); (M-H)-ME194021NA1.300.39
CYSTINE (CAS# 56-89-3); (M-H)-ME194020NA1.090.88
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-ME193958NA0.731.27
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-ME193994NA0.791.21
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-ME194059NA1.020.98
CYSTATHIONINE (CAS# 56-88-2); (M-H)-ME194019NA0.821.14
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-ME194034NA1.010.99
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-ME193951NA0.981.02
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-ME193953NA1.110.88
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-ME194018NA1.160.82
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-ME194016NA0.771.26
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-ME193930NA0.771.26
DIACETYL (CAS# 431-03-8); (M+HCOO)-ME194046NA1.170.81
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-ME194060NA1.160.82
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-ME194063NA1.190.79
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-ME193952NA0.761.24
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-ME193959NA0.731.27

Factors:

F1DIET:-
F2DIET:HFWD
F3DIET:HFWD + La/Ca
Data matrix
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