Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001037)

(Analysis AN001698)

Metabolite	Structure	F1	F2
Cholic acid	ME251024	1.05	0.91
Phosphatidylcholine lyso 18:1	ME251157	0.10	0.58
Alfuzosin	ME251131	0.50	0.06
Ne-Acetyllysine	ME251051	0.49	NA
Dibucaine	ME251084	0.39	0.09
Nafcillin	ME251070	0.39	0.00
Minocycline	ME251170	0.40	NA
Phosphatidylcholine 16:0-22:5	ME251229	0.41	NA
benzoic acid, 4-ethenyl-, 4-[[(methylsulfonyl)amino]methyl]phenyl ester	ME251162	0.30	NA
Triflumuron	ME251115	0.28	NA
Mesotrione	ME251169	0.36	0.00
Benzaldehyde, 2-ethyl-	ME251180	0.33	NA
Ibuprofen	ME251034	0.33	0.01
Gallamine	ME251144	0.20	NA
Esculin	ME251088	0.08	0.00
N4-Acetylsulfamethazine	ME251268	0.02	0.00
Cortisone	ME251026	1.76	0.01
Glucomalcomiin	ME251276	1.10	0.36
N,N^-DIMETHYL-2,2^-BIPYRROLIDINE	ME251231	1.12	0.27
Terbutaline	ME251066	1.20	0.41
4-Methoxy-3-indolylmethyl glucosinolate	ME251087	1.31	0.28
Orotidine 5^-monophosphate	ME251028	1.26	0.34
Adenylosuccinate	ME251054	1.54	0.01
13-HpOTrE(r)	ME251158	1.45	NA
Thiamine monophosphate	ME251137	1.45	0.01
Phosphonic acid	ME251161	1.48	0.00
Droperidol	ME251121	1.47	0.01
Iminostilbene	ME251200	1.47	0.00
Liquiritin	ME251110	1.43	0.03
Hexadecanoic acid	ME251011	1.43	0.00
Sulpiride	ME251126	1.43	NA
S-Lactoylglutathione	ME251053	1.42	0.00
Folic acid	ME251021	1.41	NA
Nicosulfuron	ME251091	1.41	NA
Thiacloprid-amide	ME251211	1.39	0.07
(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopentacyclo[11.8.0.0<2,10>.0<4,9 >.0<14,19>]henicos-17-yl acetate	ME251097	1.40	0.06
Phosphatidylcholine 14:0-16:0	ME251269	1.39	0.06
AMP	ME250989	1.34	NA
Diazinon	ME251102	1.33	0.00
N-Allyladenosine	ME251233	1.33	NA
Cilastatin	ME251041	1.36	NA
Risperidone	ME251124	1.35	NA
12-HETE	ME251105	1.39	NA
N4-Anisoyl-2^-deoxycytidine	ME251245	1.37	0.01
Thymidine	ME251009	1.37	0.00
Novobiocin	ME251058	1.37	0.00
2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol	ME251191	1.37	NA
NAD+	ME251252	1.37	NA
trans-Zeatin	ME251015	1.38	NA
Sotalol	ME251071	1.38	0.00
Sisomicin	ME251019	1.38	0.00
Na-Benzenolarginine ethylester	ME251167	1.38	NA
Capecitabine	ME251099	1.38	0.00
Lactic acid	ME251030	1.38	NA
Glycocholate	ME251044	1.38	0.03
Irbesartan	ME251078	1.40	0.02
Aliskiren	ME251129	1.22	0.03
Prometryn	ME251113	1.21	NA
Allantoic acid	ME251020	1.21	NA
Cystathionine	ME251022	1.21	NA
Tryptophan	ME250997	1.20	NA
Allocryptopine	ME251048	1.20	NA
DICYCLOHEXYLAMINE	ME251104	1.20	NA
Zopiclone	ME251128	1.23	NA
Threonine	ME251007	1.23	NA
Biotin	ME251001	1.23	NA
Benthiavalicarb-isopropyl	ME251111	1.23	NA
Bicalutamide	ME251156	1.23	NA
ZopicloneA^	ME251178	1.22	NA
Tetradecanoic acid	ME251060	1.22	NA
Foramsulfuron	ME251218	1.22	NA
Isorhamnetin-3-O-rutinoside	ME251239	1.22	NA
Rubone	ME251267	1.32	0.03
Sphingomyelin d18:0-C18:0	ME251201	1.29	0.03
Thifensulfuron-methyl	ME251093	1.26	0.02
15-HETE	ME251057	1.24	NA
Thiamine	ME251136	1.24	NA
Trinexapac	ME251212	1.25	0.00
Indapamide	ME251122	1.25	0.00
3,4-Methylenedioxymandelic acid	ME251193	1.25	NA
Alfentanil	ME251085	1.25	NA
4-tert-Octylphenol	ME251101	1.26	0.00
Alanine, N-trimethylsilyl-, trimethylsilyl ester	ME251153	1.26	NA
Man6GlcNAc-VI	ME251265	1.27	0.00
TRH	ME251055	1.27	NA
Protopine	ME251059	1.31	NA
Phosphatidylcholine 15:0-16:0	ME251279	1.28	0.01
Sinapine	ME251027	1.28	0.00
Haploperoside C Acetate	ME251254	1.28	NA
Perindopril	ME251082	1.28	NA
Isomaltose	ME251012	1.30	NA
Verapamil	ME251068	1.29	NA
Heptadecanoic acid	ME251228	1.29	NA
Butanal, O-methyloxime	ME251236	1.29	NA
Guanosine	ME251016	1.29	0.00
Cetirizine N-Oxide	ME251182	1.22	0.08
Tritosulfuron	ME251220	1.25	0.06
Metergoline phenylmethyl ester	ME251132	1.28	0.09
Pioglitazone	ME251081	1.32	0.08
Phosphoramidon	ME251023	1.04	0.08
Puerarin	ME251089	1.08	0.10
Pyridate	ME251118	1.06	0.00
Phosphatidylethanolamine alkenyl 18:0-22:1	ME251270	1.06	NA
Phenylalanine	ME250998	1.06	NA
N-METHYL-2-PYRROLIDONE	ME251095	1.06	NA
6-Methyl-2-(4-methylphenyl)-7-(3,4-dimethylphenylmethyl)indolizine	ME251264	1.06	NA
1-Piperidinecarboxaldehyde, 2-(1-formyl-2-pyrrolidinyl)-	ME251222	1.06	NA
2,3,4-TRIMETHYLPENTANE	ME251232	1.06	NA
1-Naphthylamine	ME251106	1.07	0.01
Urea	ME250999	1.07	NA
Octaethylene glycol	ME251271	1.07	NA
Kinetin-9-riboside	ME251246	1.07	NA
1,3-Dipentyl-heptabarbital	ME251277	1.07	NA
3-Phenoxybenzoic acid	ME251154	1.07	NA
Tebufenozide	ME251112	1.10	NA
Pirimicarb	ME251094	1.10	NA
Lisinopril	ME251135	1.10	0.00
2-Phenylaminoadenosine	ME251141	1.10	NA
4-Coumaroylcholine	ME251274	1.10	NA
Pyroglutamic acid	ME251043	1.11	NA
Benzenesulfonamide, N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-methoxy-3-methyl-	ME251260	1.11	NA
Phosphatidylcholine lyso 20:3	ME251174	1.11	NA
Trifolirhizin	ME251090	1.08	NA
Methiocarb	ME251116	1.08	NA
Hexadecenoic acid	ME251086	1.08	NA
2,4-DIMETHYL-1-HEPTENE	ME251234	1.08	NA
3-ETHOXY-1-PHENYL-1,5-HEXADIENE	ME251208	1.08	NA
3,3-Dimethylhexane	ME251164	1.09	0.01
ALPHA-METHYLSTYRENE	ME251103	1.09	0.01
Serine	ME250996	1.09	NA
Pyridine, 2-hydroxy	ME251145	1.09	NA
Olopatadine	ME251083	1.09	NA
4-Piperidinecarboxamide	ME251189	1.09	NA
Eicosan-1-ol	ME251248	1.09	NA
Rimsulfuron	ME251092	1.19	NA
Prednisolone	ME251074	1.19	NA
HENEICOSANOIC ACID TRIMETHYLSILYL ESTER	ME251263	1.19	NA
OCTADECANOIC ACID TRIMETHYLSILYL ESTER	ME251241	1.19	NA
Repaglinide	ME251080	1.17	NA
l-Alanine, N-ethoxycarbonyl-, undec-10-enyl ester	ME251243	1.17	NA
Ampicillin	ME251062	1.17	NA
20-HDoHE	ME251204	1.17	NA
2,2,4-Trimethyl-3-hexene	ME251152	1.17	NA
Trifloxystrobin	ME251114	1.18	NA
Procaine	ME251075	1.18	NA
Oxazepam	ME251072	1.18	0.00
Alanine	ME250992	1.18	NA
Atazanavir	ME251134	1.18	0.00
Cimetidine	ME251063	1.12	0.01
1-Decylamine	ME251216	1.12	NA
Thermopsoside, crotonoyl	ME251214	1.13	0.00
Formic acid	ME250994	1.13	NA
TERT-PENTYLBENZENE	ME251223	1.13	NA
Spermine	ME251025	1.16	0.01
Octadecenoic acid_R1	ME251237	1.16	NA
Bezafibrate	ME251127	1.16	NA
Heptane, 4-methylene-	ME251255	1.16	0.00
Linoleic acid	ME251035	1.15	NA
1-(2-(3-CYCLOHEXENYL)ETHYL)SILATRANE	ME251258	1.15	NA
Benzoic Acid	ME251005	1.15	NA
Terbutylazine	ME251119	1.14	NA
Phloridzin	ME251037	1.14	NA
l-Leucine, N-methyl-N-(2-methoxyethoxycarbonyl)-, tetradecyl ester	ME251240	1.14	NA
1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl ether	ME251266	1.14	NA
Adiphenine	ME251184	1.14	NA
Malaoxon	ME251079	1.17	0.02
Phosphatidylcholine lyso 16:0	ME251259	1.16	0.02
Dimefuron	ME251117	1.15	0.03
Prazosin	ME251073	1.14	0.04
Sucralose	ME251098	1.30	0.13
Tiapride	ME251138	1.32	0.17
Phosphatidylcholine 18:0-20:0 / 16:0-22:0	ME251251	1.20	0.13
Phosphatidylethanolamine 18:1-18:1	ME251140	1.21	0.11
Sissotrine	ME251278	1.20	0.10
5-methoxypodophyllotoxin	ME251275	1.18	0.15
Phosphatidylcholine lyso 18:2	ME251171	1.20	0.16
Sulfentrazon	ME251096	1.19	0.18
N4-Acetylsulfadimethoxine	ME251281	1.13	0.07
Sphingomyelin d18:0-C23:0	ME251249	1.16	0.09
Ajmaline	ME251280	1.14	0.13
S-Adenosylmethionine	ME250988	1.11	0.16
Z-Gly-Pro	ME251039	0.93	0.03
OCTANE	ME251029	0.89	0.01
Benzene, 1-(5,5-dimethyl-1-cyclopenten-1-yl)-2-methoxy-	ME251194	0.90	NA
S-Adenosyl-L-homocysteine	ME250990	0.90	0.01
Fluvastatin	ME251064	0.94	NA
Eprosartan	ME251077	0.93	NA
5-Nonanol	ME251139	0.93	NA
1,4-DIMETHYLCYCLOHEXANE	ME251199	0.93	NA
2,6-Bis(tert-butyl)phenol	ME251186	0.93	NA
Pipecolic acid, N-hexyloxycarbonyl-, heptadecyl ester	ME251262	0.92	NA
Penicillamine	ME251076	0.92	NA
Cyclopentane, 1,1,3,4-tetramethyl-, cis-	ME251149	0.92	NA
4-Aminomethylcyclohexane carboxylic acid	ME251159	0.92	NA
4-Octene, 2,3,6,7-tetramethyl-	ME251148	0.92	NA
Piperacillin	ME251100	0.91	NA
rubusoside	ME251256	0.91	NA
2,2-Dimethyl-3-heptene trans	ME251185	0.96	NA
Glycyrrhetinate	ME251049	0.96	0.00
Lyxonic acid	ME251203	0.95	NA
Salicin	ME251031	0.95	0.00
1-ETHOXY-3-TRIMETHYLSILYL-2-PROPANONE	ME251146	0.98	NA
4-Octene, 2,3,6-trimethyl-	ME251165	0.98	NA
3-ETHYLPENTANE	ME251187	0.97	0.01
Carbachol	ME251125	0.97	NA
N-Acetylethylenediamine	ME251261	0.97	NA
Phosphatidylcholine 19:0-18:1	ME251244	1.01	NA
Valine	ME251006	1.00	NA
Uric acid	ME251014	1.00	NA
Trimethylsilyl 2,2-dimethyl-3,6,9,12,15,18,21,24-octaoxa-2-silahexacosan-26-oate	ME251226	1.00	NA
Taurine	ME251010	1.00	NA
Ritalinic acid	ME251173	1.00	NA
Proline	ME251003	1.00	NA
Phthalic acid	ME251038	1.00	NA
Phosphatidylcholine lyso 17:1	ME251181	1.00	NA
Ornithine-1,5-lactam	ME251177	1.00	NA
Norleucine	ME251045	1.00	NA
Nonadecanoic acid	ME251107	1.00	NA
Naproxen	ME251033	1.00	NA
Methyl-Lyxofuranoside	ME251221	1.00	NA
Lysine	ME250993	1.00	NA
l-Norvaline, N-ethoxycarbonyl-, hexadecyl ester	ME251163	1.00	NA
Isoleucine	ME251017	1.00	NA
Inositol	ME251227	1.00	NA
Homoserine	ME251013	1.00	NA
Histidine	ME251002	1.00	NA
Glucose	ME250991	1.00	NA
Eicosanoic acid	ME251061	1.00	NA
Cytosine arabinoside	ME251052	1.00	NA
Cyclobutanecarboxylic acid, 1-amino-	ME251217	1.00	NA
Citric acid	ME251004	1.00	NA
CIS-4-NONENE	ME251206	1.00	NA
Arginine	ME250995	1.00	NA
Alpha-Tocopherol	ME251050	1.00	NA
Acid orange 7 (free acid)	ME251195	1.00	NA
9,10-anthracenedione, 1-amino-4-[(4-methylphenyl)amino]-	ME251192	1.00	NA
5-Aminovaleric acid	ME251018	1.00	NA
4-Methoxy-2-allylphenol	ME251207	1.00	NA
2,3-Dimethyl-5,6-dihydro-1,4-oxathiine	ME251257	1.00	NA
1,3-Methanopentalene, octahydro-	ME251235	1.00	NA
1,5-Anhydrohexitol	ME251213	1.00	NA
Thioinosinic acid	ME251056	1.04	0.00
Galactofuranoside	ME251196	1.04	NA
1-Octadecylamine	ME251190	1.04	0.00
2-BUTOXY-N-(2-(DIETHYLAMINO)ETHYL)-3-PYRIDINECARBOXAMIDE	ME251247	1.04	NA
Timolol	ME251067	1.02	NA
Threitol	ME251109	1.02	NA
1,3-Dimethyl-7,7-diphenyl-6-oxa-4-thia-2-azabicyclo[3.2.0]hept-2-ene	ME251150	1.02	NA
Decanedioic acid, dibutyl ester	ME251130	1.02	NA
Nonanoic acid	ME251036	1.03	NA
Ethenodeoxyadenosine	ME251143	1.03	NA
1,3-DIMETHYLCYCLOHEXANE	ME251188	1.03	NA
2H,8H-Benzo[1,2-b:3,4-b^]dipyran-6-propanol, 5-methoxy-2,2,8,8-tetramethyl-, acetate	ME251242	1.03	NA
Furosemide	ME251065	0.95	0.12
7-Methylguanosine	ME251120	1.00	0.18
Leu-Leu-Tyr	ME251273	0.95	0.22
Methotrexate	ME251046	0.87	NA
5-TERT-BUTYL-3,3-DIMETHYL-1-INDANONE	ME251198	0.87	NA
2,2,5-TRIMETHYLHEXANE	ME251197	0.87	0.00
3-Nonanol	ME251147	0.87	NA
1-Heptene, 6-methyl-	ME251142	0.86	NA
1-NONENE	ME251219	0.85	NA
4-Octene, 2,3,7-trimethyl-, [S-(E)]-	ME251166	0.85	NA
UNDECANE	ME251151	0.80	0.00
3-Ethyl-3-methylheptane	ME251210	0.79	NA
Benzoic acid, 4-(4-butylcyclohexyl)-, 2,3-dicyano-4-ethoxyphenyl ester	ME251224	0.79	NA
Hydroxylamine	ME251008	0.83	NA
Octadecenoic acid_R2	ME251238	0.83	NA
Tylosin	ME251032	0.81	0.01
2,2,4-TRIMETHYLPENTANE	ME251215	0.81	NA
Norlidocaine	ME251108	0.82	NA
Phosphatidylethanolamine lyso 20:1	ME251250	0.82	NA
Sulfurous acid, 2-ethylhexyl hexyl ester	ME251225	0.68	NA
Bergamottin	ME251230	0.69	NA
Blasticidin S	ME251047	0.69	NA
2,4-DIMETHYLPENTANE	ME251205	0.67	0.01
D-Arabino-Hexonic acid	ME251202	0.66	NA
Neohesperidin dihydrochalcone	ME251160	0.65	NA
Benzene, 1,3,5-trimethyl-2-(1,2-propadienyl)-	ME251172	0.77	NA
2,3-DIMETHYLBUTANE	ME251253	0.76	0.01
4-METHYL-1-PENTENE	ME251168	0.76	NA
5-Phosphorylribose 1-pyrophosphate	ME251000	0.76	NA
Amisulpride	ME251133	0.71	NA
Decane, 3-ethyl-3-methyl-	ME251179	0.72	NA
Diclofenac	ME251042	0.72	NA
Ritonavir	ME251069	0.73	NA
Ranitidine	ME251123	0.73	0.00
BIS(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)SEBACATE	ME251176	0.73	NA
ETHYLCYCLOHEXANE	ME251183	0.73	NA
Ethylamine, N,N-dinonyl-2-(2-thiophenyl)-	ME251272	0.74	NA
ETHYL BENZOATE	ME251155	0.74	0.01
Mesosulfuron-methyl	ME251209	0.63	0.31
Doxorubicin	ME251040	0.90	0.45
Tembotrione	ME251175	0.83	0.31

Factors:

F1	Description :Serum Sample
F2	Description :Solvent

Data matrix