Clustering data with hclust algorithm for (Study ST000741)

(Analysis AN001155)
MetaboliteStructureF1F2F3F4
CIS-ACONITATE (CAS# 585-84-2); (M-H)-ME2049431.131.07NA0.76
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-ME2049071.210.82NA0.98
CELLOBIOSE (CAS# 528-50-7); (M+CL)-ME204941NA1.80NA0.20
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-ME2049040.861.15NA0.99
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-ME2048841.240.89NA0.87
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-ME2049440.811.02NA1.18
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-ME2049751.35NANA0.65
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-ME2049730.821.11NA1.07
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-ME2049060.531.46NA1.01
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-ME2049611.50NANA0.50
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-ME2049601.50NANA0.50
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-ME2049460.971.03NA1.00
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-ME2049082.150.43NANA
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]ME204936NA1.26NA0.79
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-ME2049020.900.96NA1.13
CORTISONE (CAS# 53-06-5); (M+HCOO)-ME2049531.300.90NA0.50
AZELAIC ACID (CAS# 123-99-9); (M-H)-ME2049341.011.17NA0.82
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-ME204937NA1.80NA0.20
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-ME2049311.070.95NA1.06
ARACHIDONATE (CAS# 506-32-1); (M-H)-ME2049320.520.75NA1.74
CYTIDINE (CAS# 65-46-3); (M+HCOO)-ME2049561.340.87NA0.68
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-ME204896NA1.50NA0.50
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-ME2048980.571.29NA0.91
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-ME2049111.041.23NA0.74
CORTISONE (CAS# 53-06-5); (M+CL)-ME2049521.910.73NA0.36
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-ME2049050.971.03NA1.00
4-NITROPHENOL (CAS# 100-02-7); (M-H)-ME2049151.021.00NA0.98
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-ME2049121.041.23NA0.74
ADENOSINE (CAS# 58-61-7); (M+HCOO)-ME2049231.401.21NA0.59
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-ME2049190.901.19NA0.92
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)-ME2049291.490.45NA0.93
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-ME2048971.120.94NA0.98
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-ME2048870.891.18NA0.94
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]ME2049280.900.96NA1.13
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)-ME2049770.941.57NA0.59
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-ME2048950.690.52NA1.53
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-ME2049691.360.64NANA
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-ME2049621.400.55NA0.95
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-ME2049382.080.50NA0.62
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-ME2049030.17NANA1.83
ASPARTATE (CAS# 56-84-8); (M-H)-ME2049331.170.98NA0.89
CYTIDINE (CAS# 65-46-3); (M-H)-ME2049571.340.69NA0.97
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-ME2048860.701.17NA1.13
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-ME2049160.880.98NA1.17
ADP-RIBOSE (CAS# ); (M-H)-ME2049261.041.01NA0.93
CITRAMALATE (CAS# 2306-22-1); (M-H)-ME2049471.630.30NA1.03
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-ME2049541.011.17NA0.82
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-ME2049141.011.10NA0.85
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-ME2049181.171.10NA0.72
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-ME2048850.741.00NA1.21
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)-ME2048901.121.19NA0.62
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-ME2049171.201.00NA0.80
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-ME204972NA0.63NA1.37
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-ME2049450.960.98NA1.06
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-ME2048810.881.07NA1.04
CITRATE (CAS# 77-92-9); (M-H)-ME2049481.001.00NA1.00
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-ME2049000.751.21NA1.03
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-ME2048920.431.16NA0.74
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-ME2048940.861.15NA0.99
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-ME2049210.861.12NA0.90
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-ME2049421.570.85NA0.72
CYTIDINE (CAS# 65-46-3); (M+CL)-ME2049550.871.74NA0.53
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-ME2049220.971.03NA1.00
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-ME2049250.861.15NA0.99
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-ME2049301.001.00NA1.00
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-ME2049241.070.91NA1.04
DEOXYURIDINE (CAS# 951-78-0); (M-H)-ME2049761.600.48NA0.96
ADPGLUCOSE (CAS# ); (M-H)-ME2049271.041.01NA0.95
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-ME2049701.150.86NA0.89
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-ME2049200.991.24NA0.54
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-ME2049130.931.14NA1.06
BEHENIC ACID (CAS# 112-85-6); (M-H)-ME2049350.861.01NA1.14

Factors:

F1subject type:Healthy control
F2subject type:Mild disease
F3subject type:POOLED
F4subject type:Severe disease
Data matrix
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