Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004422)

(Analysis AN007399)

Metabolite	Structure	F1	F2	F3	F4	F5
1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione	ME1233314	0.04	0.67	4.11	0.04	NA
3,5-Dimethyl-1-phenylpyrazole	ME1233336	0.04	0.76	3.96	0.04	NA
Acipimox	ME1233365	2.52	0.19	1.55	0.08	NA
2,6-Dimethylpyrazine	ME1233321	3.12	0.24	0.72	0.04	NA
5-hydroxy-6,8-dimethoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one	ME1233353	2.77	0.83	0.17	0.06	NA
1-[4-(2-chloro-6-fluorobenzyl)piperazino]-3-(1H-indol-1-yl)propan-2-ol	ME1233310	0.31	2.43	0.25	0.46	NA
Dihexylamine	ME1233388	0.39	2.54	0.27	0.24	NA
1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethan-1-one	ME1233305	0.45	2.16	0.38	0.57	NA
NP-008952	ME1233437	0.22	2.28	0.66	0.44	NA
Nootkatone	ME1233432	0.03	2.61	0.03	0.69	NA
Pipecolic acid	ME1233449	0.03	2.54	0.02	0.78	NA
Scopoletin	ME1233457	0.15	2.83	0.05	0.28	NA
9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.0Âa,âµ]undec-6-ene-6-carboxylic acid	ME1233362	0.12	2.92	0.10	0.15	NA
Fraxetin	ME1233398	0.04	2.97	0.04	0.22	NA
Dipropylene glycol dimethyl ether	ME1233390	1.70	0.81	0.25	1.11	NA
N,N-Diisopropylethylamine (DIPEA)	ME1233422	1.31	0.84	0.39	1.35	NA
2-Mercaptobenzothiazole	ME1233330	1.56	0.37	0.01	1.97	NA
5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one	ME1233352	1.24	0.39	0.61	1.81	NA
5-Methoxysalicylic acid	ME1233354	0.51	0.78	0.92	1.84	NA
Nicotinic acid 1-oxide	ME1233427	0.16	1.76	0.16	1.51	NA
1,5-Isoquinolinediol	ME1233309	0.53	1.43	0.14	1.57	NA
L-(-)-Carvone	ME1233409	0.62	1.18	0.35	1.65	NA
N-Acetyltyramine	ME1233425	0.22	1.49	0.32	1.68	NA
3-Acetyl-2,5-dimethylfuran	ME1233337	0.32	1.18	0.38	1.92	NA
NP-012616	ME1233438	0.32	1.26	0.39	1.81	NA
N-Methyldioctylamine	ME1233431	1.50	1.37	0.38	0.50	NA
Prilocaine	ME1233450	1.65	1.37	0.34	0.37	NA
trans-Aconitic acid	ME1233471	1.35	1.63	0.30	0.39	NA
Tris(2-butoxyethyl) phosphate	ME1233473	1.44	1.51	0.32	0.43	NA
(2S,3S,4S,5R,6R)-6-[3-(benzoyloxy)-2-hydroxypropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	ME1233299	1.21	1.80	0.25	0.36	NA
4-Methoxycinnamic acid	ME1233347	1.21	1.65	0.36	0.46	NA
2^-Deoxyadenosine	ME1233327	0.25	1.28	1.35	1.13	NA
8-hydroxy-11-(hydroxymethyl)-1,5,11-trimethyltricyclo[6.2.1.0]undec-2-en-9-one	ME1233361	0.41	1.92	0.26	0.99	NA
Caffeic acid	ME1233375	0.87	1.73	0.40	0.66	NA
NP-016455	ME1233440	0.83	1.64	0.51	0.73	NA
(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid	ME1233302	0.73	1.98	0.09	0.72	NA
Ferulic acid	ME1233397	0.72	1.85	0.24	0.79	NA
Atenolol acid	ME1233372	0.30	1.67	0.96	0.89	NA
2^-Deoxyguanosine	ME1233328	0.58	1.63	0.84	0.75	NA
Thymidine	ME1233466	0.56	1.63	0.80	0.79	NA
Thymine	ME1233467	0.55	1.63	0.82	0.80	NA
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid	ME1233317	0.64	1.73	0.67	0.69	NA
α-Hydroxymidazolam	ME1233482	0.73	1.59	0.70	0.75	NA
Cysteinylglycine	ME1233382	0.51	1.25	1.04	1.16	NA
2-Aminonicotinic acid	ME1233326	0.67	1.33	0.84	1.04	NA
Adenosine	ME1233367	0.58	1.33	0.84	1.13	NA
DL-Serine	ME1233391	0.44	1.64	0.61	1.05	NA
2-[2-(2-acetamido-4-methylpentanamido)propanamido]-3-hydroxypropanoic acid	ME1233324	0.76	1.45	0.45	1.10	NA
3^-Adenosine monophosphate (3^-AMP)	ME1233338	0.75	1.46	0.50	1.06	NA
Diethyleneglycol diacetate	ME1233387	0.60	1.45	0.57	1.15	NA
Pyridoxine	ME1233454	0.65	1.44	0.59	1.11	NA
Salicylic acid	ME1233456	0.65	1.44	0.61	1.09	NA
1-(3,4-dimethoxyphenyl)ethan-1-one oxime	ME1233307	1.10	1.40	0.17	1.03	NA
(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid	ME1233298	1.25	1.17	0.61	0.83	NA
4-Methylumbelliferyl-α-D-glucopyranoside	ME1233350	1.15	1.24	0.50	0.93	NA
4-Aminobenzoic acid	ME1233342	1.13	1.54	0.49	0.58	NA
9S,13R-12-Oxophytodienoic acid	ME1233364	1.11	1.41	0.72	0.59	NA
Nadolol	ME1233426	1.11	1.52	0.66	0.49	NA
2-Amino-3-methoxybenzoic acid	ME1233325	0.98	1.39	0.64	0.80	NA
Carvone	ME1233377	1.01	1.37	0.75	0.71	NA
3,4-Dimethoxycinnamic acid	ME1233335	1.10	1.29	0.63	0.82	NA
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol	ME1233339	0.99	1.27	0.74	0.86	NA
9-Nitrooleate	ME1233363	0.79	1.44	0.81	0.80	NA
Proline	ME1233451	0.89	1.53	0.68	0.68	NA
1-(4-benzhydrylpiperazino)-3-[4-(1,2,3-thiadiazol-4-yl)phenoxy]-2-propanol	ME1233308	1.58	0.88	0.78	0.73	NA
12-Oxo phytodienoic acid	ME1233311	1.55	0.95	1.22	0.35	NA
2-(Cyclohexyloxy)-5-{5-[(2S)-1-(tetrahydro-2H-pyran-4-yl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}pyridine	ME1233319	1.45	1.00	1.07	0.50	NA
Tropine	ME1233474	1.21	1.16	0.95	0.62	NA
13(S)-HOTrE	ME1233312	1.33	1.04	1.00	0.62	NA
N-Methyl-2-pyrrolidone	ME1233429	1.26	1.04	0.95	0.72	NA
2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid	ME1233323	1.53	1.05	0.88	0.49	NA
8-{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}octanoic acid	ME1233360	1.43	1.18	0.81	0.49	NA
(-)-Caryophyllene oxide	ME1233296	1.05	0.79	1.35	0.94	NA
Homo-anatoxin	ME1233402	1.12	0.79	1.45	0.81	NA
Citral	ME1233380	1.19	0.82	1.29	0.82	NA
Arecoline	ME1233371	1.19	0.87	1.35	0.72	NA
N-Methylcaprolactam	ME1233430	1.18	0.87	1.34	0.74	NA
1-Phenyl-2-butanone	ME1233315	1.14	0.95	1.42	0.60	NA
trans-4-Hydroxy-L-proline	ME1233470	1.05	1.12	1.30	0.56	NA
Norfludiazepam	ME1233433	1.16	0.59	1.49	0.98	NA
Resorcinol monoacetate	ME1233455	1.15	0.73	1.67	0.69	NA
NP-007909	ME1233436	0.90	0.93	1.91	0.51	NA
Sebacic acid	ME1233458	0.76	1.13	1.54	0.67	NA
Vanillin	ME1233479	1.11	0.58	1.07	1.36	NA
(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-one	ME1233301	0.76	0.61	1.47	1.38	NA
NP-013210	ME1233439	0.58	0.92	1.09	1.45	NA
Testosterone cypionate	ME1233465	0.78	0.75	1.20	1.38	NA
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid	ME1233320	0.99	0.70	0.82	1.52	NA
D-(+)-Proline	ME1233384	0.90	0.81	0.84	1.45	NA
D-Panthenol	ME1233392	0.94	1.01	0.73	1.25	NA
L-Isoleucine	ME1233413	0.89	0.94	0.80	1.33	NA
(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside	ME1233300	0.87	0.98	0.80	1.30	NA
L-Valine	ME1233416	0.88	0.97	0.84	1.28	NA
Inosine	ME1233404	0.67	1.07	0.81	1.38	NA
Normorphine	ME1233434	0.77	1.05	0.80	1.32	NA
Viloxazine	ME1233480	0.81	0.94	0.82	1.41	NA
α-Pinene-2-oxide	ME1233484	0.81	0.99	0.68	1.44	NA
Metoprolol	ME1233420	0.74	1.21	0.98	1.02	NA
L-(-)-Methionine	ME1233410	0.75	1.16	0.98	1.07	NA
NP-018661	ME1233441	0.70	1.16	1.01	1.09	NA
4-Methyl-5-thiazoleethanol	ME1233349	0.86	1.04	0.94	1.13	NA
Adenine	ME1233366	0.85	1.10	0.87	1.12	NA
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one	ME1233356	0.79	1.04	1.07	1.10	NA
Ethylenediaminetetraacetic acid (EDTA)	ME1233396	0.93	0.97	0.94	1.15	NA
D-(+)-Pyroglutamic Acid	ME1233385	0.87	0.97	1.07	1.12	NA
Prolylleucine	ME1233452	0.88	0.93	1.02	1.20	NA
NP-003800	ME1233435	0.84	1.23	0.71	1.08	NA
L-Norleucine	ME1233414	0.85	1.14	0.76	1.16	NA
N-{4-[(2R,3R)-3-(Hydroxymethyl)-4-isobutyl-5-oxo-2-morpholinyl]phenyl}-2-methoxyacetamide	ME1233423	0.91	1.13	0.77	1.10	NA
Sinapinic acid	ME1233459	0.97	1.18	0.72	1.01	NA
Guanine	ME1233400	0.95	1.18	0.86	0.93	NA
2-Hydroxybenzothiazole	ME1233329	1.04	1.10	0.85	0.94	NA
Uracil	ME1233477	0.98	1.12	0.80	1.02	NA
L-Phenylalanine	ME1233415	0.97	1.11	0.85	1.00	NA
Syringic acid	ME1233463	0.95	1.12	0.85	1.02	NA
Hypoxanthine	ME1233403	0.90	1.11	0.97	0.99	NA
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate	ME1233464	0.95	1.11	0.99	0.92	NA
Isovanillic acid	ME1233408	1.04	1.10	0.95	0.87	NA
Caprolactam	ME1233376	1.05	1.01	1.00	0.94	NA
N,N^-Dicyclohexylurea	ME1233421	1.06	1.03	0.96	0.94	NA
Choline	ME1233379	0.90	1.33	1.15	0.58	NA
Cetrimonium	ME1233378	0.91	1.37	0.96	0.66	NA
Glycyl-L-leucine	ME1233399	0.94	1.26	0.92	0.79	NA
Alanyltyrosine	ME1233369	0.97	1.07	1.13	0.84	NA
4-Butylaniline	ME1233343	1.02	1.12	1.10	0.75	NA
4-Hexyloxyaniline	ME1233344	0.96	1.18	1.11	0.73	NA
Cyclohexylamine	ME1233381	0.89	1.16	1.11	0.83	NA
2^-O-Methyladenosine	ME1233333	0.93	1.18	1.04	0.82	NA
Diphenylamine	ME1233389	0.96	1.18	1.04	0.79	NA
2-(3-{[3-(Tetrahydro-2H-pyran-4-ylamino)-3-oxetanyl]methyl}-1,2-oxazol-5-yl)ethanol	ME1233318	0.83	1.26	1.05	0.80	NA
[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl](5-methyl-3-isoxazolyl)methanone	ME1233303	0.82	1.14	1.10	0.92	NA
Leucylproline	ME1233411	0.73	1.23	1.08	0.92	NA
[7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl β-D-glucopyranoside	ME1233304	0.83	0.80	1.35	1.17	NA
Esmolol	ME1233395	0.90	0.75	1.45	1.07	NA
Tyrosylalanine	ME1233476	0.88	0.81	1.44	1.03	NA
4-oxododecanedioic acid	ME1233351	0.91	1.09	1.33	0.73	NA
Phthalic acid	ME1233448	0.85	0.99	1.41	0.86	NA
Methyl 2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,3-benzoxazole-7-carboxylate	ME1233418	0.76	1.05	1.27	0.97	NA
Tropinone	ME1233475	0.97	0.98	1.20	0.91	NA
Methyl cinnamate	ME1233419	0.92	0.90	1.26	1.01	NA
α-Aspartylphenylalanine	ME1233481	0.90	0.96	1.22	0.98	NA
1-Stearoylglycerol	ME1233316	1.32	0.79	0.90	1.01	NA
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid	ME1233348	1.07	0.95	1.17	0.86	NA
Oxymatrine	ME1233443	1.11	0.98	1.08	0.86	NA
Decanamide	ME1233386	1.03	0.90	0.92	1.15	NA
1-(2-Morpholinophenyl)dihydro-1H-pyrrole-2,5-dione	ME1233306	0.99	0.85	1.00	1.20	NA
Isobutyraldehyde	ME1233405	1.00	0.85	0.92	1.24	NA
2-Mercaptoethanol	ME1233331	1.10	1.00	0.90	0.98	NA
α-Lactose	ME1233483	1.13	0.97	0.84	1.03	NA
4-Hydroxycoumarin	ME1233345	1.07	0.95	1.03	0.98	NA
trans,trans-2,4-Heptadienal	ME1233468	1.10	0.92	1.10	0.93	NA
Triethylene glycol monobutyl ether	ME1233472	1.06	0.93	1.09	0.95	NA
4-(2-Aminoethyl)benzenesulfonylfluoride	ME1233341	1.15	0.92	0.97	0.98	NA
Benzotriazole	ME1233373	1.17	0.86	1.04	0.98	NA
2-Methylcyclohexan-1,3-dione	ME1233332	1.13	0.88	1.03	0.99	NA
Maltitol	ME1233417	1.14	0.85	1.04	1.01	NA
2,6-Dimethyl-γ-pyrone	ME1233322	1.07	0.86	1.05	1.07	NA
N-Isopropyl-N^-phenyl-p-phenylenediamine	ME1233428	1.04	0.89	1.04	1.06	NA
β,β-Dimethyl-γ-methylene-γ-butyrolactone	ME1233485	1.07	0.89	1.03	1.04	NA
Solanid-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1-2)-[beta-D-glucopyranosyl-(1-3)]-beta-D-mannopyranoside	ME1233460	0.96	0.88	1.09	1.12	NA
Solanidine	ME1233461	0.99	0.88	1.04	1.13	NA
3-(2-Hydroxyethyl)indole	ME1233334	0.99	0.98	1.01	1.02	NA
Bis(4-ethylbenzylidene)sorbitol	ME1233374	0.96	1.04	1.01	0.99	NA
Isobutyric acid	ME1233406	1.05	0.91	0.97	1.09	NA
Ecgonine methyl ester	ME1233394	1.06	0.96	0.95	1.03	NA
Isophorone	ME1233407	1.01	0.97	0.94	1.07	NA
Adenosine 3^5^-cyclic monophosphate	ME1233368	1.31	0.64	1.14	1.03	NA
Ecgonine	ME1233393	1.25	0.63	1.20	1.06	NA
3-Hydroxy-2-methylpyridine	ME1233340	0.97	0.77	1.24	1.14	NA
Anhydroecgonine	ME1233370	0.96	0.85	1.21	1.08	NA
L-Iditol	ME1233412	1.03	0.83	1.23	1.02	NA
6-Methyl-2-pyridinemethanol	ME1233355	1.14	0.73	1.19	1.06	NA
4-Indolecarbaldehyde	ME1233346	1.06	0.71	1.19	1.16	NA
6-Methylquinoline	ME1233358	1.05	0.75	1.16	1.14	NA
6-Methylindole	ME1233357	1.07	0.72	1.13	1.17	NA
trans-3-Indoleacrylic acid	ME1233469	1.07	0.73	1.13	1.16	NA
D-(+)-Camphor	ME1233383	1.17	0.68	2.22	0.31	NA
Pulegone	ME1233453	1.18	0.59	2.44	0.25	NA
Hexadecanamide	ME1233401	1.50	0.06	2.32	0.69	NA
Oleamide	ME1233442	1.61	0.17	2.06	0.63	NA
1-Linoleoyl glycerol	ME1233313	0.18	1.06	2.92	0.30	NA
N-Acetyl-L-leucine	ME1233424	0.33	0.64	2.53	0.97	NA
PEG n5	ME1233444	0.38	1.09	1.99	0.76	NA
PEG n8	ME1233447	0.29	1.22	2.02	0.67	NA
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid	ME1233297	0.35	0.96	2.40	0.64	NA
PEG n6	ME1233445	0.29	1.12	2.18	0.67	NA
PEG n7	ME1233446	0.23	1.13	2.34	0.60	NA
Valpromide	ME1233478	0.65	0.27	2.15	1.39	NA
6β-Hydrocodol N-oxide	ME1233359	0.33	0.33	3.14	0.90	NA
Stearamide	ME1233462	0.71	0.30	2.98	0.69	NA

Factors:

F1	Sample source:Potato Root \| Factor:Gladiator Control
F2	Sample source:Potato Root \| Factor:Gladiator Treated
F3	Sample source:Potato Root \| Factor:Iwa Control
F4	Sample source:Potato Root \| Factor:Iwa Treated
F5	Sample source:Potato Root \| Factor:n/a

Data matrix