Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004294)

(Analysis AN007139)

Metabolite	Structure	F1	F2
α-Pyrrolidinopropiophenone	ME1165917	1.00	NA
α-Aspartylphenylalanine	ME1165916	1.00	NA
Valylproline_2	ME1165914	1.00	NA
Valylproline_1	ME1165913	1.00	NA
Valylleucyllysine_5	ME1165912	1.00	NA
Valylleucyllysine_4	ME1165911	1.00	NA
Valylleucyllysine_3	ME1165910	1.00	NA
Valylleucyllysine_2	ME1165909	1.00	NA
Valylleucyllysine_1	ME1165908	1.00	NA
Valine_2	ME1165907	1.00	NA
Valine_1	ME1165906	1.00	NA
Tris(2-chloroethyl) phosphate	ME1165904	1.00	NA
Spermine	ME1165898	1.00	NA
Spermidine	ME1165897	1.00	NA
serylleucyllysine_2	ME1165896	1.00	NA
serylleucyllysine_1	ME1165895	1.00	NA
prolylprolyllysine_2	ME1165892	1.00	NA
prolylprolyllysine_1	ME1165891	1.00	NA
Prolylleucine_5	ME1165890	1.00	NA
Prolylleucine_4	ME1165889	1.00	NA
Prolylleucine_3	ME1165888	1.00	NA
Prolylleucine_2	ME1165887	1.00	NA
Prolylleucine_1	ME1165886	1.00	NA
Proline_6	ME1165885	1.00	NA
Proline_5	ME1165884	1.00	NA
Proline_4	ME1165883	1.00	NA
Proline_3	ME1165882	1.00	NA
Proline_2	ME1165881	1.00	NA
Proline_1	ME1165880	1.00	NA
Prolinamide	ME1165879	1.00	NA
Pilocarpine	ME1165878	1.00	NA
phenylalanylprolyllysine	ME1165877	1.00	NA
phenylalanyl-L-prolyl-L-histidine	ME1165876	1.00	NA
Oleamide	ME1165874	1.00	NA
Norharman	ME1165871	1.00	NA
Nootkatone	ME1165870	1.00	NA
N,N-Dimethyldecylamine N-oxide	ME1165859	1.00	NA
N,N^-Dicyclohexylurea	ME1165858	1.00	NA
Nicotinic acid_3	ME1165867	1.00	NA
Nicotinic acid_2	ME1165866	1.00	NA
Nicotinic acid_1	ME1165865	1.00	NA
N-Acetylornithine	ME1165864	1.00	NA
N6-Acetyl-L-lysine	ME1165862	1.00	NA
N-(2-Furylmethyl)-3-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]methyl}-3-oxetanamine_2	ME1165857	1.00	NA
N-(2-Furylmethyl)-3-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]methyl}-3-oxetanamine_1	ME1165856	1.00	NA
N1-tetrahydrofuran-2-ylmethyl-2-cyanoacetamide	ME1165861	1.00	NA
N1-(2-pyridyl)-2-(3,5-difluorophenyl)acetamide	ME1165860	1.00	NA
L-valyl-L-leucyl-L-histidine	ME1165854	1.00	NA
L-Tyrosine	ME1165853	1.00	NA
L-Pyroglutamic acid_4	ME1165852	1.00	NA
L-Pyroglutamic acid_3	ME1165851	1.00	NA
L-Pyroglutamic acid_2	ME1165850	1.00	NA
L-Pyroglutamic acid_1	ME1165849	1.00	NA
L-prolyl-L-leucyl-L-histidine_3	ME1165848	1.00	NA
L-prolyl-L-leucyl-L-histidine_2	ME1165847	1.00	NA
L-prolyl-L-leucyl-L-histidine_1	ME1165846	1.00	NA
L-Histidine	ME1165844	1.00	NA
L-Glutamic acid	ME1165843	1.00	NA
Leucylproline_9	ME1165842	1.00	NA
Leucylproline_8	ME1165841	1.00	NA
Leucylproline_7	ME1165840	1.00	NA
Leucylproline_6	ME1165839	1.00	NA
Leucylproline_5	ME1165838	1.00	NA
Leucylproline_4	ME1165837	1.00	NA
Leucylproline_3	ME1165836	1.00	NA
Leucylproline_2	ME1165835	1.00	NA
Leucylproline_15	ME1165834	1.00	NA
Leucylproline_14	ME1165833	1.00	NA
Leucylproline_13	ME1165832	1.00	NA
Leucylproline_12	ME1165831	1.00	NA
Leucylproline_11	ME1165830	1.00	NA
Leucylproline_10	ME1165829	1.00	NA
Leucylproline_1	ME1165828	1.00	NA
leucylasparaginyllysine	ME1165827	1.00	NA
L-Alanyl-L-proline_2	ME1165826	1.00	NA
L-Alanyl-L-proline_1	ME1165825	1.00	NA
Isoquinoline_5	ME1165824	1.00	NA
Isoquinoline_4	ME1165823	1.00	NA
Isoquinoline_3	ME1165822	1.00	NA
Isoquinoline_2	ME1165821	1.00	NA
Isoquinoline_1	ME1165820	1.00	NA
Isophorone	ME1165819	1.00	NA
isoleucylasparaginyllysine	ME1165818	1.00	NA
Isoleucine	ME1165817	1.00	NA
Irgafos 168	ME1165816	1.00	NA
Indole-3-acrylic acid	ME1165815	1.00	NA
Hypoxanthine	ME1165814	1.00	NA
Guanine_2	ME1165812	1.00	NA
Guanine_1	ME1165811	1.00	NA
glutamylleucyllysine_4	ME1165809	1.00	NA
glutamylleucyllysine_3	ME1165808	1.00	NA
glutamylleucyllysine_2	ME1165807	1.00	NA
glutamylleucyllysine_1	ME1165806	1.00	NA
glutaminylprolyllysine	ME1165805	1.00	NA
D-(+)-Pipecolinic acid	ME1165796	1.00	NA
Docosanamide_2	ME1165804	1.00	NA
Docosanamide_1	ME1165803	1.00	NA
DL-Lysine	ME1165802	1.00	NA
Diisobutylphthalate	ME1165800	1.00	NA
Decanamide	ME1165798	1.00	NA
Cyclo(phenylalanyl-prolyl)	ME1165795	1.00	NA
Cyclo(leucylprolyl)_3	ME1165794	1.00	NA
Cyclo(leucylprolyl)_2	ME1165793	1.00	NA
Cyclo(leucylprolyl)_1	ME1165792	1.00	NA
Coniine_2	ME1165791	1.00	NA
Coniine_1	ME1165790	1.00	NA
Choline	ME1165789	1.00	NA
Cetrimonium	ME1165788	1.00	NA
Carnosine_2	ME1165787	1.00	NA
Carnosine_1	ME1165786	1.00	NA
Capryloylglycine	ME1165784	1.00	NA
Bis(4-ethylbenzylidene)sorbitol_7	ME1165783	1.00	NA
Bis(4-ethylbenzylidene)sorbitol_6	ME1165782	1.00	NA
Bis(4-ethylbenzylidene)sorbitol_5	ME1165781	1.00	NA
Bis(4-ethylbenzylidene)sorbitol_4	ME1165780	1.00	NA
Bis(4-ethylbenzylidene)sorbitol_3	ME1165779	1.00	NA
Bis(4-ethylbenzylidene)sorbitol_2	ME1165778	1.00	NA
Bis(4-ethylbenzylidene)sorbitol_1	ME1165777	1.00	NA
Bis(2-ethylhexyl) amine	ME1165776	1.00	NA
aspartyllysyllysine	ME1165774	1.00	NA
aspartylleucyllysine_2	ME1165773	1.00	NA
aspartylleucyllysine_1	ME1165772	1.00	NA
Anthranilic acid	ME1165771	1.00	NA
Adenosine 5^-monophosphate	ME1165770	1.00	NA
Adenosine 3^5^-cyclic monophosphate	ME1165769	1.00	NA
Acetophenone_2	ME1165766	1.00	NA
Acetophenone_1	ME1165765	1.00	NA
8-Hydroxyquinoline_3	ME1165762	1.00	NA
8-Hydroxyquinoline_2	ME1165761	1.00	NA
8-Hydroxyquinoline_1	ME1165760	1.00	NA
6-(hydroxymethyl)pyridin-3-ol	ME1165748	1.00	NA
6-hydroxy-4a,5-dimethy1-3-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one_2	ME1165758	1.00	NA
6-hydroxy-4a,5-dimethy1-3-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one_1	ME1165757	1.00	NA
6-Amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]hexanoic acid_2	ME1165755	1.00	NA
6-Amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]hexanoic acid_1	ME1165754	1.00	NA
6-Amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoyl]amino]hexanoic acid_2	ME1165753	1.00	NA
6-Amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoyl]amino]hexanoic acid_1	ME1165752	1.00	NA
6-amino-2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid	ME1165756	1.00	NA
6-Amino-2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]hexanoic acid_3	ME1165751	1.00	NA
6-Amino-2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]hexanoic acid_2	ME1165750	1.00	NA
6-Amino-2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]hexanoic acid_1	ME1165749	1.00	NA
5-Hydroxytryptophan_2	ME1165747	1.00	NA
5-Hydroxytryptophan_1	ME1165746	1.00	NA
5-amino-2-(dimethylamino)benzoic acid	ME1165745	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_4	ME1165743	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_3	ME1165742	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_2	ME1165741	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_1	ME1165740	1.00	NA
4-Piperidinecarboxamide	ME1165739	1.00	NA
4-Methyl-5-thiazoleethanol	ME1165738	1.00	NA
4-Indolecarbaldehyde_2	ME1165737	1.00	NA
4-Indolecarbaldehyde_1	ME1165736	1.00	NA
4-Hydroxypropranolol	ME1165735	1.00	NA
4-Hydroxybenzaldehyde	ME1165734	1.00	NA
4-Ethynylaniline_3	ME1165733	1.00	NA
4-Ethynylaniline_2	ME1165732	1.00	NA
4-Ethynylaniline_1	ME1165731	1.00	NA
4-(anilinomethylidene)-3-methyl-4,5-dihydroisoxazol-5-one	ME1165728	1.00	NA
4,6-Dimethyl-2(1H)-pyrimidinone	ME1165730	1.00	NA
4,4^-Methylenebis(2-methylaniline)	ME1165729	1.00	NA
3-(secbutyl)-1-hydroxy-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one_2	ME1165716	1.00	NA
3-(secbutyl)-1-hydroxy-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one_1	ME1165715	1.00	NA
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_2	ME1165714	1.00	NA
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_1	ME1165713	1.00	NA
3-heptyl-3,6-dihydro-1H-furo[3,4-c]furan-4-one	ME1165726	1.00	NA
3-benzy-6-isopropyl-3,6-dihydropyrazine-2,5-diol_2	ME1165725	1.00	NA
3-benzy-6-isopropyl-3,6-dihydropyrazine-2,5-diol_1	ME1165724	1.00	NA
3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione	ME1165723	1.00	NA
3^-Adenosine monophosphate (3^-AMP)	ME1165722	1.00	NA
3,5-di-tert-Butyl-4-hydroxybenzaldehyde	ME1165718	1.00	NA
3,4-Methylenedioxy-alpha-pyrrolidinobutyrophenone	ME1165717	1.00	NA
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_2	ME1165721	1.00	NA
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_1	ME1165720	1.00	NA
3-(2-(Phenylamino)oxazol-5-yl)benzonitrile	ME1165712	1.00	NA
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione_3	ME1165711	1.00	NA
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione_2	ME1165710	1.00	NA
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione_1	ME1165709	1.00	NA
2-Naphthylamine_3	ME1165707	1.00	NA
2-Naphthylamine_2	ME1165706	1.00	NA
2-Naphthylamine_1	ME1165705	1.00	NA
2-Hydroxyphenylalanine	ME1165704	1.00	NA
2-Amino-4-methylpyrimidine_5	ME1165703	1.00	NA
2-Amino-4-methylpyrimidine_4	ME1165702	1.00	NA
2-Amino-4-methylpyrimidine_3	ME1165701	1.00	NA
2-Amino-4-methylpyrimidine_2	ME1165700	1.00	NA
2-Amino-4-methylpyrimidine_1	ME1165699	1.00	NA
2-Amino-1,3,4-octadecanetriol	ME1165698	1.00	NA
2,6-Dimethylpyrazine_2	ME1165697	1.00	NA
2,6-Dimethylpyrazine_1	ME1165696	1.00	NA
2,4-Dimethylbenzaldehyde_2	ME1165694	1.00	NA
2,4-Dimethylbenzaldehyde_1	ME1165693	1.00	NA
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid	ME1165692	1.00	NA
2,2-dimethyl-1,2-dihydroquinazolin-4-ol	ME1165691	1.00	NA
1-Nitrosopiperidine (NPIP)	ME1165689	1.00	NA
1-hydroxy-3-isopropyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one_3	ME1165688	1.00	NA
1-hydroxy-3-isopropyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one_2	ME1165687	1.00	NA
1-hydroxy-3-isopropyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one_1	ME1165686	1.00	NA
(10E,12Z)-9-oxooctadeca-10,12-dienoic acid	ME1165683	1.00	NA
1,3-diazaspiro[4.5]decane-2,4-dione	ME1165684	1.00	NA
Vasicinone	ME1165915	NA	1.00
Tryptamine	ME1165905	NA	1.00
Triphenylphosphine oxide	ME1165903	NA	1.00
Tributylamine	ME1165902	NA	1.00
Thymine	ME1165901	NA	1.00
threonylleucyllysine	ME1165900	NA	1.00
Tacrine	ME1165899	NA	1.00
Quinoline	ME1165894	NA	1.00
Pyridoxamine	ME1165893	NA	1.00
Ornithine	ME1165875	NA	1.00
octadec-9-ynoic acid_2	ME1165873	NA	1.00
octadec-9-ynoic acid_1	ME1165872	NA	1.00
Nipecotic acid_2	ME1165869	NA	1.00
Nipecotic acid_1	ME1165868	NA	1.00
N-Acetyl-L-leucine	ME1165863	NA	1.00
Methyl 3,5-di-tert-butyl-4-hydroxybenzoate	ME1165855	NA	1.00
L-leucyl-L-asparaginyl-L-histidine	ME1165845	NA	1.00
Hexadecanamide	ME1165813	NA	1.00
Guanine	ME1165810	NA	1.00
D-(+)-Pyroglutamic Acid	ME1165797	NA	1.00
Diphenylamine	ME1165801	NA	1.00
Dibutyl sebacate	ME1165799	NA	1.00
Carbidopa	ME1165785	NA	1.00
Benzophenone	ME1165775	NA	1.00
Adenosine	ME1165768	NA	1.00
Adenine	ME1165767	NA	1.00
Acetophenone	ME1165764	NA	1.00
Acetanilide	ME1165763	NA	1.00
6-phenyl-3,4-dihydro-1H-2,5-benzoxazocin-1-one	ME1165759	NA	1.00
5,6-Dihydrophenanthridin-6-one	ME1165744	NA	1.00
3-methyl-5-(5-methyl-3-isoxazolyl)-1-phenyl-1H-pyrazole-4-carboxylic acid	ME1165727	NA	1.00
3,8-dihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid	ME1165719	NA	1.00
3-(1H-indol-3-yl)quinoxalin-2-ol	ME1165708	NA	1.00
2,5-Dimethylpyrazine	ME1165695	NA	1.00
13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid	ME1165685	NA	1.00
2-(4-methylphenyl)imidazo[1,2-a]pyrimidine	ME1165690	NA	1.00

Factors:

F1	Sample source:Bacillus licheniformis \| factor:ground
F2	Sample source:Bacillus licheniformis \| factor:space

Data matrix