Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for 2014 Biotron Experiment Metabolites (part II) (Study ST000564)

HPLC NEGATIVE ION MODE (Analysis AN000867)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
scopolin	ME167622	4.58	1.17	0.06	0.02	0.03	0.13
4-methylumbelliferyl glucoside	ME167511	4.67	0.87	0.16	0.09	0.08	0.13
O-feruloylquinate_R1	ME167609	4.50	0.96	0.26	0.13	0.13	0.03
O-feruloylquinate_R2	ME167610	4.57	0.92	0.15	0.11	0.18	0.07
phenoxy radical VIII	ME167613	0.02	0.03	0.44	0.71	0.92	3.88
homogentisate	ME167590	0.22	0.20	0.18	0.16	0.61	4.63
ALLANTOIN	ME167537	0.47	0.21	0.16	0.31	0.48	4.38
D-(+)-RAFFINOSE	ME167552	0.50	0.35	0.22	0.31	0.47	4.15
4-hydroxybenzaldehyde	ME167508	0.87	0.62	0.60	0.71	0.63	2.58
METHYL BETA-D-GALACTOSIDE	ME167604	0.55	0.59	0.80	0.82	1.00	2.23
1,3-dioctanoylglycerol_R1	ME167472	0.75	0.65	0.66	0.67	1.22	2.05
alpha-ketol	ME167468	0.63	0.61	0.61	0.63	1.25	2.26
3,5-dihydroxybenzoate	ME167499	0.43	1.02	0.36	0.40	0.73	3.06
9,10-epoxy-12-cis-octadecenoate_R2	ME167528	0.54	0.45	0.33	0.47	1.45	2.76
4-hydroxyphenylpyruvate	ME167509	0.59	0.38	0.35	0.49	0.98	3.22
5-amino-6-(5-phospho-D-ribosylamino)uracil	ME167515	0.53	0.27	0.66	0.34	1.02	3.18
linoleate	ME167599	0.09	0.11	0.47	1.44	2.09	1.81
2,4^,5,7-tetrahydroxyisoflavanone_R2	ME167479	0.07	0.07	1.16	1.08	1.16	2.46
2,5-DIHYDROXYBENZOATE	ME167481	0.34	0.38	1.38	1.09	1.36	1.44
Urate	ME167635	0.50	0.46	1.58	2.62	0.78	0.05
Adenine	ME167532	0.20	0.24	1.20	2.44	1.26	0.66
2,4^,5,7-tetrahydroxyisoflavanone_R1	ME167478	0.11	0.21	0.79	3.16	0.96	0.78
GUANINE	ME167587	0.14	0.14	0.90	2.99	1.43	0.40
2,5,7-trihydroxy-4^-methoxyisoflavanone	ME167480	0.03	0.07	2.18	1.80	1.64	0.28
ALPHA-AMINOADIPATE	ME167539	0.19	0.24	1.25	1.80	2.45	0.08
5-hydroxytryptophol glucuronide_R1	ME167516	0.88	0.78	0.86	0.53	2.57	0.39
inosine	ME167595	1.08	0.32	2.00	0.22	2.25	0.12
4-(beta-D-glucosyloxy)benzoate_R3	ME167506	2.49	3.02	0.20	0.13	0.13	0.02
3-methylthiopropyl-glucosinolate	ME167503	3.08	2.12	0.21	0.06	0.06	0.47
2,5-dihydroxybenzoate 5-O-beta-D-glucoside_R1	ME167482	3.10	2.58	0.13	0.08	0.08	0.03
6-PHOSPHOGLUCONIC ACID	ME167523	3.17	2.23	0.21	0.24	0.13	0.01
DIMBOA-beta-D-glucoside_R2	ME167559	2.73	2.16	0.69	0.25	0.15	0.02
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5^-phosphoramidate_R2	ME167585	2.73	2.02	0.61	0.36	0.24	0.03
1-O-vanilloyl-beta-D-glucose_R1	ME167476	2.85	2.26	0.43	0.28	0.14	0.04
7-hydroxy-2-oxindole-3-acetate glucoside	ME167524	2.59	2.39	0.53	0.24	0.16	0.08
2,5-dihydroxybenzoate 5-O-beta-D-glucoside_R2	ME167483	2.31	2.33	0.51	0.37	0.24	0.23
phlorisovalerophenone	ME167614	2.08	2.53	0.65	0.39	0.29	0.07
GLYCERATE	ME167579	2.24	1.29	0.46	0.41	0.71	0.89
ISOCITRIC ACID	ME167596	3.25	1.15	0.63	0.34	0.15	0.47
L-threonate	ME167602	2.87	1.51	0.60	0.46	0.52	0.04
2-oxindole-3-acetyl-L-aspartate	ME167494	3.12	1.32	0.51	0.33	0.44	0.29
adipate	ME167536	3.07	1.45	0.45	0.39	0.40	0.23
2-oxopenta-3,4-dienoate	ME167498	2.62	1.97	0.38	0.19	0.21	0.62
CITRATE	ME167546	2.62	2.03	0.38	0.18	0.17	0.63
4-(beta-D-glucosyloxy)benzoate_R1	ME167504	2.74	1.84	0.57	0.23	0.29	0.32
ALPHA-KETOGLUTARIC ACID	ME167540	2.82	1.57	0.48	0.34	0.34	0.45
4-amino-2-methyl-5-phosphomethylpyrimidine	ME167507	2.54	1.40	0.55	0.54	0.47	0.50
Glucose/Fructose [M+Cl]-	ME167572	2.60	1.30	0.52	0.56	0.48	0.54
QUINATE	ME167620	2.52	1.57	0.74	0.50	0.48	0.19
2-oxopent-4-enoate	ME167497	2.57	1.48	0.69	0.60	0.46	0.20
acetoacetate	ME167529	2.64	1.52	0.69	0.55	0.45	0.16
Glyceraldehyde	ME167577	2.52	1.38	0.74	0.61	0.53	0.21
glutarate	ME167574	2.39	1.56	0.74	0.62	0.50	0.19
MYO-INOSITOL	ME167607	2.46	1.50	0.71	0.63	0.49	0.22
pyrimidin-2-one-ribonucleoside	ME167619	2.44	1.76	0.45	0.72	0.37	0.26
2-oxo-indole-3-acetate	ME167496	2.45	1.86	0.69	0.49	0.45	0.06
indole-3-carbinol	ME167593	2.54	1.82	0.65	0.50	0.41	0.08
indole-3-acetyl-L-aspartate	ME167592	1.82	0.88	0.37	1.86	0.92	0.16
XANTHINE	ME167637	1.28	0.72	1.71	1.57	0.50	0.22
D-GLUCURONOLACTONE	ME167555	1.55	0.85	0.56	0.79	1.13	1.12
D-SACCHARIC ACID	ME167564	1.25	0.50	0.70	0.94	1.26	1.34
gossypol-6,6^-dimethyl ether	ME167586	0.85	0.86	0.91	0.89	1.15	1.34
mugineate	ME167606	0.76	0.67	0.82	1.00	1.41	1.34
L-ASPARAGINE	ME167598	0.87	1.41	1.22	0.72	0.84	0.94
phthalate	ME167617	1.11	1.47	0.87	0.84	0.85	0.86
glycerophosphoglycerol	ME167581	1.17	0.91	1.09	0.71	1.31	0.81
GLYCOLATE	ME167582	0.97	1.03	0.94	1.13	1.12	0.82
SUCROSE	ME167627	1.00	0.96	1.05	1.00	1.13	0.85
benzylglucosinolate	ME167544	0.95	1.16	1.07	0.99	0.89	0.93
15-hydroxysolavetivone	ME167475	1.11	1.04	0.90	1.03	0.99	0.92
6-gingerol_R1	ME167521	1.00	1.08	1.09	0.93	0.97	0.93
(9R,10S)-dihydroxystearate	ME167470	1.08	1.06	1.01	0.92	1.00	0.93
dihydroconiferyl aldehyde	ME167557	1.03	1.04	1.02	1.01	0.99	0.89
triketide pyrone	ME167630	1.06	1.00	1.02	0.99	0.99	0.93
1,3-dioctanoylglycerol_R3	ME167474	0.98	1.00	1.08	0.91	1.00	1.02
9,10-epoxy-12-cis-octadecenoate_R1	ME167527	0.99	1.06	0.96	0.96	1.03	1.00
rishitin	ME167621	1.02	1.00	0.97	1.02	1.02	0.98
2-deoxy-alpha-D-ribose 1-phosphate	ME167487	1.00	0.97	1.00	1.01	1.00	1.01
alpha-methyl-tyrosine	ME167469	1.02	0.97	0.97	0.99	1.03	1.02
benzyladenine	ME167543	1.00	0.97	0.99	1.01	1.04	1.00
TRIBOA	ME167629	1.00	0.98	1.04	1.03	1.01	0.95
4-prenylphlorisovalerophenone_R1	ME167513	1.02	1.01	1.02	0.98	0.99	0.97
6-diazo-5-oxonorleucine	ME167520	1.01	1.01	1.03	0.95	1.01	0.99
1,3-dioctanoylglycerol_R2	ME167473	0.97	0.95	1.02	0.98	1.04	1.05
4-prenylphlorisovalerophenone_R2	ME167514	1.01	0.99	0.99	0.94	0.99	1.07
4-methylthiobutanaldoxime	ME167510	1.18	1.22	1.05	0.77	1.02	0.77
L-2-aminoadipate	ME167597	1.21	1.08	0.99	0.76	1.02	0.93
Inosine	ME167594	1.18	0.95	0.83	0.91	1.06	1.06
6-gingerol_R2	ME167522	1.26	1.12	0.87	0.93	0.99	0.83
2-alpha-D-glucosyl-D-glucose [M+Cl]-	ME167484	1.28	1.14	0.78	0.87	0.95	0.97
diphyllin	ME167561	1.36	1.13	0.79	0.88	0.89	0.94
L-METHIONINE	ME167600	1.16	0.93	1.06	1.22	1.55	0.09
2-deoxy-D-galactose (fructose/glucose)	ME167488	0.84	0.72	1.35	1.17	1.25	0.67
diphosphate	ME167560	0.82	0.89	1.19	1.35	1.30	0.46
5-OXO-L-PROLINE	ME167519	1.05	0.93	1.26	1.38	1.22	0.16
4-nitrophenyl phosphate	ME167512	0.77	1.18	1.28	1.30	1.32	0.16
Arginine	ME167541	0.78	0.99	1.51	1.28	1.25	0.19
2-C-methyl-D-erythritol-2,4-cyclodiphosphate_R1	ME167485	0.62	0.58	1.58	1.21	1.92	0.08
2-C-methyl-D-erythritol-2,4-cyclodiphosphate_R2	ME167486	0.61	0.44	1.59	1.26	2.01	0.08
7-methylthioheptyldesulfoglucosinolate	ME167525	0.39	0.61	1.39	1.48	1.57	0.58
phosphate_R2	ME167616	0.38	0.45	1.41	1.37	1.60	0.79
UDP	ME167632	1.97	1.71	1.23	0.65	0.43	0.02
2^-deoxyribose	ME167489	1.98	1.76	0.95	0.70	0.57	0.04
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5^-phosphoramidate_R1	ME167584	2.19	1.63	0.95	0.60	0.61	0.02
D-(-)-3-PHOSPHOGLYCERIC ACID_R1	ME167549	2.19	1.24	1.06	0.79	0.61	0.12
D-(-)-3-PHOSPHOGLYCERIC ACID_R2	ME167550	2.19	1.25	1.12	0.79	0.64	0.01
GDP-beta-L-fucose	ME167569	1.77	1.44	1.22	0.81	0.73	0.01
N-METHYL-D-ASPARTIC ACID	ME167608	1.80	1.50	1.03	0.83	0.77	0.07
adenosine 3^,5^-bisphosphate	ME167533	1.91	1.51	1.19	0.74	0.58	0.07
glutarate semialdehyde	ME167575	1.88	1.32	1.16	0.81	0.65	0.18
Fructose 1,6-bisphosphate	ME167568	1.95	1.54	1.03	0.61	0.64	0.24
2-hydroxy-3-nitropropionate	ME167490	2.08	1.50	0.93	0.61	0.74	0.15
(R)-MALATE	ME167471	2.05	1.55	0.94	0.59	0.74	0.14
Tyrosine	ME167631	2.00	1.36	0.89	0.74	0.73	0.28
DL-3-aminobutyrate	ME167562	1.91	1.41	1.04	0.73	0.83	0.07
Glucose 6-phosphate/Fructose 6-phosphate	ME167571	2.02	1.39	1.00	0.79	0.72	0.08
D-RIBOSE 5-PHOSPHATE	ME167563	2.01	1.42	0.93	0.72	0.82	0.11
GLYCEROL 2-PHOSPHATE	ME167580	1.94	1.44	0.89	0.80	0.77	0.15
ethylnitronate	ME167567	1.70	1.51	0.90	0.76	0.98	0.14
3-hydroxy-2-oxo-indole-3-acetate	ME167501	1.77	1.58	0.93	0.99	0.56	0.17
Guanosine	ME167588	1.85	1.72	0.81	0.86	0.65	0.10
Threonine	ME167628	1.73	1.72	0.97	0.75	0.70	0.13
adenylo-succinate	ME167535	2.44	1.61	0.54	0.37	1.01	0.03
allicin	ME167538	2.33	1.44	0.55	0.58	0.75	0.34
MALEIC ACID	ME167603	2.06	1.32	0.72	0.70	0.90	0.29
ADENOSINE 5^-MONOPHOSPHATE	ME167534	1.95	1.62	0.80	0.60	0.93	0.11
GMP	ME167583	2.03	1.54	0.77	0.56	0.98	0.12
cycloheptadienyl	ME167547	2.22	1.53	0.61	0.51	0.95	0.18
URIDINE	ME167636	2.16	1.55	0.69	0.62	0.83	0.15
DIMBOA-beta-D-glucoside_R1	ME167558	2.00	2.03	0.66	0.90	0.25	0.16
UMP	ME167634	2.12	2.01	0.65	0.42	0.76	0.04
2-hydroxy-5-methylquinone_R2	ME167492	1.49	1.54	0.83	0.80	0.73	0.61
pimelate	ME167618	1.45	1.47	0.96	0.77	0.84	0.51
GLUTATHIONE	ME167576	1.75	1.47	0.90	0.63	0.64	0.61
oxalosuccinate	ME167611	1.93	1.53	0.75	0.52	0.53	0.75
3-carboxy-4-methoxy-N-methyl-2-pyridone	ME167500	1.43	0.95	1.38	0.90	0.63	0.70
HOMOVANILLATE	ME167591	1.74	0.90	1.25	0.92	0.75	0.44
GLUCONIC ACID	ME167570	1.87	1.08	0.84	0.88	0.89	0.44
SHIKIMATE	ME167623	1.86	1.07	0.93	0.86	0.95	0.33
suberate	ME167625	1.55	1.27	0.82	0.86	0.86	0.64
2-oxoadipate	ME167495	1.60	1.12	0.96	0.78	0.93	0.62
XYLITOL	ME167638	1.43	1.07	0.98	0.88	0.93	0.72
D-xylonolactone	ME167566	1.52	0.93	0.92	0.67	1.04	0.91
D-(-)-ARABINOSE	ME167551	1.67	1.03	0.89	0.74	0.78	0.89
D-galacto-hexodialdose	ME167553	1.69	1.09	1.06	0.51	0.82	0.83
2-hydroxy-5-methylquinone_R1	ME167491	1.33	1.64	1.28	0.78	0.57	0.40
CYTIDINE 5^-DIPHOSPHATE	ME167548	1.71	1.48	1.53	0.71	0.54	0.03
2-isopropylmaleate	ME167493	1.57	1.55	1.48	0.68	0.65	0.08
UDP-alpha-D-galactose	ME167633	1.56	1.41	1.50	0.82	0.62	0.10
D-glucurono-6,3-lactone	ME167554	1.71	1.26	1.30	0.90	0.82	0.02
3-hydroxypropionaldehyde	ME167502	1.53	1.57	1.13	1.00	0.71	0.06
SUCCINATE	ME167626	1.60	1.45	1.20	0.97	0.73	0.05
Glutamine	ME167573	1.19	1.39	1.36	1.05	0.97	0.02
5-methylthiopentanaldoxime	ME167518	1.15	1.28	1.50	1.00	1.04	0.02
MEVALOLACTONE	ME167605	1.20	1.37	1.44	0.89	1.04	0.06
D-SORBITOL	ME167565	1.27	1.48	1.15	1.13	0.90	0.07
penicillin N	ME167612	1.24	1.61	1.26	1.03	0.77	0.09
L-SERINE	ME167601	1.63	1.25	0.93	0.91	1.18	0.10
Aspartic acid	ME167542	1.42	0.98	1.15	1.09	1.19	0.17
BETA-ALANINE	ME167545	1.53	1.17	1.07	1.01	1.10	0.12
acetylmaltose_R1	ME167530	1.49	1.17	1.19	0.89	1.12	0.15
acetylmaltose_R2	ME167531	1.43	1.23	1.26	0.88	1.16	0.05
GLYCERALDEHYDE	ME167578	1.46	1.26	0.84	0.98	1.07	0.40
7-methylxanthine	ME167526	1.59	1.23	1.09	0.98	0.87	0.24
dihydroconiferyl alcohol glucoside	ME167556	1.37	1.32	1.07	0.94	0.88	0.42
sinapaldehyde glucoside	ME167624	1.10	1.05	1.46	0.97	1.17	0.25
Histidine	ME167589	1.19	1.16	1.11	0.98	1.24	0.30
phosphate_R1	ME167615	1.06	1.09	1.08	1.05	1.14	0.58
4-(beta-D-glucosyloxy)benzoate_R2	ME167505	1.82	0.81	1.16	0.58	1.57	0.06
1-O-vanilloyl-beta-D-glucose_R2	ME167477	2.76	0.98	0.61	0.34	1.16	0.16
5-hydroxytryptophol glucuronide_R2	ME167517	2.23	1.30	0.50	0.33	1.42	0.22

Factors:

F1	Time:14 days after pollination
F2	Time:16 days after pollination
F3	Time:18 days after pollination
F4	Time:22 days after pollination
F5	Time:26 days after pollination
F6	Time:40 days after pollination

Data matrix