Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Dietary composition analysis of chow diet and purified diet using untargeted metabonomics (Study ST001620)

Reversed phase UNSPECIFIED ION MODE (Analysis AN002655)

Metabolite	Structure	F1	F2
Folic acid	ME382756	0.14	1.64
Maltohexaose	ME382763	0.01	1.75
Myristoleate	ME382698	0.29	1.53
Caprylate	ME382646	0.51	1.36
Trehalose	ME382745	0.37	1.48
Citrate	ME382684	0.38	1.46
Dopa	ME382690	0.40	1.45
Maltotetraose	ME382762	0.45	1.41
Theophylline	ME382673	0.42	1.43
dCMP	ME382733	0.83	1.13
Lyxose	ME382653	0.83	1.13
Coumarate	ME382663	0.87	1.10
Myristic acid	ME382700	0.88	1.09
Pyrrole-2-Carboxylate	ME382624	0.88	1.09
N-Acetylglutamate	ME382681	0.70	1.22
Oxoadipate	ME382657	0.68	1.24
Kynurenine	ME382695	0.59	1.31
Deoxycholic acid	ME382753	0.65	1.26
Pterin	ME382660	0.62	1.29
4-Hydroxy-D-Proline	ME382637	0.63	1.28
Ribose-1,5-Bisphosphate	ME382734	0.63	1.28
3-Hydroxybutyrate	ME382622	1.17	0.88
Nonadecanoic acid	ME382730	1.16	0.88
Linoleic acid	ME382723	1.25	0.81
Urocanate	ME382643	1.21	0.84
Maltotriose	ME382692	1.58	0.57
Sinapate	ME382696	1.58	0.56
Mannonate	ME382689	1.32	0.76
Quinoline	ME382633	1.33	0.75
Stachyose	ME382668	1.33	0.75
Hexadecanedioic acid	ME382725	1.49	0.63
Quinaldate	ME382669	1.52	0.61
3-Hydroxy-Tetradecanoic acid	ME382705	1.39	0.71
Hesperetin	ME382719	1.46	0.66
Adenine	ME382641	1.45	0.67
Coniferyl Aldehyde	ME382672	1.45	0.66
15-Deoxy-D-12,14-PGJ2	ME382737	1.43	0.68
Syringaresinol O-Beta-D-Glucoside	ME382761	1.42	0.69
Glycitin	ME382709	1.92	0.31
Leucine	ME382635	1.93	0.30
Butyryl-L-Carnitine	ME382701	1.93	0.30
1-Heptadecanoyl-sn-Glycero-3-Phosphocholine	ME382759	1.93	0.30
Benzaldehyde	ME382623	1.93	0.30
Gingerol	ME382727	1.89	0.33
Leucyl-Alanine	ME382693	1.89	0.33
Valyl-Phenylalanine	ME382716	1.90	0.32
2-Ketobutyrate	ME382619	1.91	0.32
Fumarate	ME382628	1.91	0.32
Vanillate	ME382666	1.66	0.50
Sebacate	ME382676	1.71	0.47
Azelaic acid	ME382678	1.70	0.47
Daidzin	ME382683	1.70	0.47
Pantolactone	ME382626	1.68	0.49
Guanidinosuccinate	ME382671	1.69	0.49
Cosmosiin	ME382754	1.69	0.48
Phenylacetylglycine	ME382685	1.69	0.48
Tryptamine	ME382658	1.86	0.36
2-Methoxyhydroquinone	ME382645	1.82	0.38
Gulonate	ME382688	1.84	0.37
Sorbitol	ME382675	1.75	0.44
Thiamine	ME382715	1.75	0.44
Astragalin	ME382697	1.77	0.43
N-Acetyl-L-Alanine	ME382638	1.76	0.43
Ribose	ME382650	1.76	0.43
Thymine	ME382631	1.80	0.40
6-Malonylgenistin	ME382760	1.78	0.41
Carnitine	ME382659	1.78	0.41
Uridine	ME382703	2.32	0.01
Tryptophan	ME382694	2.32	0.01
N-Arachidonoyl-Alanine	ME382750	2.32	0.01
Guanosine	ME382724	2.32	0.01
Adenosine	ME382718	2.32	0.01
Alpha-Acetyllysine	ME382679	2.32	0.01
Oleanoic acid	ME382755	2.33	0.01
S-Adenosylhomocysteine	ME382751	2.33	0.00
Rosmarinate	ME382748	2.33	0.00
Glutamate	ME382648	2.33	0.00
Gluconate	ME382687	2.33	0.00
Gentisate	ME382656	2.33	0.00
5,6-DiHETE	ME382743	2.33	0.00
5-O-Beta-D-Glucosylpyridoxine	ME382742	2.33	0.00
2-Linoleoyl Glycerol	ME382747	2.29	0.04
Inosine	ME382720	2.29	0.03
2-O-Methylguanosine	ME382731	2.29	0.03
5,7-Dihydroxyflavone	ME382711	2.29	0.03
13S-Hydroxyoctadecadienoic acid	ME382728	2.30	0.02
5,6-DHET	ME382744	2.30	0.02
Pipecolate	ME382634	2.31	0.02
Niacinamide	ME382630	2.31	0.02
Cytidine	ME382706	2.31	0.02
Hypoxanthine	ME382644	2.31	0.02
Malate	ME382640	2.27	0.04
Methionine	ME382651	2.28	0.04
Valerolactam	ME382618	2.27	0.05
Alpha-Linolenoyl Ethanolamide	ME382738	2.27	0.05
Pyroglutamate	ME382632	2.27	0.05
Cadaverine	ME382620	2.26	0.05
Palmitoleic acid	ME382712	2.26	0.05
Cytosine	ME382625	2.22	0.08
Lysine	ME382649	2.22	0.08
N-Acetyl-DL-Tryptophan	ME382707	2.25	0.06
Glu-Leu	ME382714	2.25	0.06
Acetyl-Maltose	ME382752	2.25	0.06
Dodecanedioate	ME382699	2.25	0.06
N-Acetyl-DL-Methionine	ME382682	2.23	0.07
Indoleacrylate	ME382677	2.25	0.07
Xanthine	ME382655	2.24	0.07
Glycylleucine	ME382680	2.24	0.07
N-Oleoyl-Serine	ME382749	2.24	0.07
Cyclic AMP	ME382740	2.05	0.21
Gamma-Aminobutyrate	ME382621	2.05	0.21
Naringenin	ME382713	2.06	0.21
Tyrosine	ME382674	2.06	0.20
Cellobiose	ME382739	2.06	0.20
PC(14:0/0:0)	ME382757	2.06	0.20
2-Deoxyadenosine	ME382710	2.07	0.19
4-Hydroxyphenylglycine	ME382667	2.07	0.19
Malvidin	ME382736	2.08	0.19
Stearidonic acid	ME382722	2.09	0.19
Beta-Homomethionine	ME382662	2.02	0.23
12-OPDA	ME382721	2.03	0.23
4-Oxododecanedioic acid	ME382704	2.03	0.23
9,10-Epoxyoctadecenoic acid	ME382729	2.00	0.25
MG(18:2/0:0/0:0)	ME382746	2.01	0.24
Coumarin	ME382647	2.17	0.13
Valine	ME382627	2.16	0.13
Ala-Ile	ME382691	2.17	0.12
13-L-Hydroperoxylinoleic acid	ME382726	2.18	0.12
2-Deoxyguanosine	ME382717	2.18	0.12
Raffinose	ME382758	2.19	0.11
Arabitol	ME382654	2.19	0.11
3-AMP	ME382741	2.19	0.11
7-Methylguanine	ME382661	2.19	0.11
Isoleucine	ME382639	2.21	0.09
Arachidonic acid	ME382732	2.20	0.10
Threonate	ME382642	2.21	0.10
Alanine	ME382617	2.10	0.17
Indole	ME382629	2.10	0.17
Cinnamate	ME382636	2.11	0.17
Ferulate	ME382686	2.11	0.17
N-Formyl-L-Methionine	ME382670	2.12	0.16
N-Lactoyl-Phenylalanine	ME382702	2.11	0.16
Phenylalanine	ME382665	2.14	0.14
9,10-DHOME	ME382735	2.15	0.14
Guanine	ME382652	2.15	0.14
Methionine S-Oxide	ME382664	2.13	0.15
Phe-Pro	ME382708	2.14	0.15

Factors:

F1	Diet:Chow
F2	Diet:Purified

Data matrix