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PCA
PLS-DA
Analyte VIP score
Riboflavin 2.37
FAHFA 27:0;O; FAHFA 3:0/24:0;O 2.23
N6-Threonylcarbamoyladenosine 2.18
CAR 10:0 2.1
PC 44:8 2.09
GM3 34:1;O2 2.07
TG 58:8; TG 18:1_18:2_22:5 2.04
CAR 8:0 2.03
PE O-38:7 (1); PE O-18:3_20:4 2.01
Argininosuccinic acid 1.99
PG 42:10; PG 20:4_22:6 1.96
PI 38:6 (2); PI 16:0_22:6 1.95
TG 40:1; TG 10:0_12:0_18:1 1.95
PE 31:0; PE 15:0_16:0 1.94
TG 58:10 (1); TG 18:2_20:4_20:4 1.93
Cysteine-glutathione disulfide 1.93
DG 34:4; DG 14:0_20:4 1.91
FAHFA 26:0;O; FAHFA 2:0/24:0;O 1.91
TG O-52:2; TG O-18:1_16:0_18:1 1.88
CAR 10:0;O 1.87
Cytidine 5'-monophospho-N-acetylneuraminic acid 1.87
TG 60:11; TG 18:2_20:4_22:5 1.85
PE O-40:8; PE O-18:2_22:6 1.84
TG 56:9; TG 18:2_18:3_20:4 1.84
PE O-39:5; PE O-17:1_22:4 1.83
Tryptamine 1.83
DG 40:7; DG 18:2_22:5 1.83
TG 44:4 (2); TG 12:0_14:0_18:4 1.83
PC O-44:6 1.83
Adenosine 5'-diphosphoribose 1.82
FA 26:5 1.81
PE 40:7;O; PE 20:4_20:3;O 1.81
CAR 8:0;O 1.8
PC 30:2; PC 12:0_18:2 1.8
CAR 6:0;O (2) 1.79
CL 72:7; CL 18:1_18:2_18:2_18:2 1.78
FAHFA 24:0;O; FAHFA 4:0/20:0;O 1.78
CL 70:7; CL 16:1_18:2_18:2_18:2 1.77
TG 42:3; TG 10:0_14:0_18:3 1.77
PE 40:8; PE 18:2_22:6 1.77
DG 30:4; DG 10:0_20:4 1.77
LPE 20:2 1.76
Fructose 6-phosphate 1.76
SM 38:4;O2; SM 21:0;O2/17:4 1.75
Phe-Phe 1.75
TG 36:2; TG 8:0_10:0_18:2 1.74
TG 58:10 (2); TG 16:0_20:4_22:6 1.73
TG O-54:2; TG O-20:0_16:0_18:2 1.73
PE 39:4; PE 19:0_20:4 1.71
LPE 20:1 1.7
PC 24:0 1.7
CL 72:6; CL 18:1_18:1_18:2_18:2 1.7
TG 50:6 (2); TG 12:0_16:0_22:6 1.69
Histamine 1.68
FA 26:6 1.68
4-Guanidinobutyric acid 1.68
CAR 10:1 1.68
beta-Nicotinamide adenine dinucleotide 1.67
TG 60:10; TG 18:1_20:4_22:5 1.67
TG 52:8; TG 12:0_20:4_20:4 1.67
PE O-35:5; PE O-15:1_20:4 1.67
PS 40:6; PS 18:0_22:6 1.67
FAHFA 25:0;O; FAHFA 3:0/22:0;O 1.66
TG 60:12; TG 18:2_20:4_22:6 1.66
TG 50:7; TG 10:0_18:2_22:5 1.65
gamma-Glu-Cys 1.65
TG 54:8; TG 14:0_18:2_22:6 1.63
PC O-37:10 1.62
NAE 18:2 1.6
LPC 20:5/0:0 (1) 1.6
FA 18:4 1.6
TG 58:11; TG 18:2_20:4_20:5 1.6
3'-Dephosphocoenzyme A 1.58
Phosphoenolpyruvic acid 1.58
TG 62:11; TG 18:2_22:4_22:5 1.58
TG 62:14; TG 20:4_20:4_22:6 1.58
TG 50:8; TG 10:0_18:2_22:6 1.57
TG 56:8 (2); TG 16:0_18:2_22:6 1.56
DG 38:6; DG 16:0_22:6 1.55
CL 74:7; CL 18:1_18:1_18:2_20:3 1.55
TG 30:0; TG 8:0_10:0_12:0 1.55
PC 36:6; PC 14:0_22:6 1.54
Uridine diphosphate glucose 1.54
FA 24:1;O 1.54
TG 45:3; TG 10:0_17:1_18:2 1.54
TG 38:3; TG 8:0_12:0_18:3 1.53
TG 53:6; TG 15:0_18:2_20:4 1.52
TG 46:4 (2); TG 10:0_16:0_20:4 1.52
LPE 22:6 1.5
TG 52:6 (2); TG 14:0_16:0_22:6 1.49
DG 30:3; DG 12:0_18:3 1.49
TG 48:4 (2); TG 12:0_16:0_20:4 1.48
Glutathione (reduced) 1.47
2'-Deoxyuridine 5'-monophosphate 1.47
CAR 12:0;O 1.47
N,N-Dimethylguanosine 1.47
DG 38:4; DG 18:0_20:4 1.46
PI 40:5; PI 18:0_22:5 1.46
Cystine 1.46
PC 34:4; PC 14:0_20:4 1.44
PS 38:1; PS 20:0_18:1 1.44
PE O-38:2 (1); PE O-20:0_18:2 1.44
DG 30:1; DG 12:0_18:1 1.44
FAHFA 30:0;O; FAHFA 4:0/26:0;O 1.43
FAHFA 28:0;O; FAHFA 4:0/24:0;O 1.43
PC 36:4 (2); PC 16:0_20:4 1.42
PC 30:3 1.41
DG 40:8; DG 18:2_22:6 1.4
FAHFA 28:1;O; FAHFA 4:0/24:1;O 1.4
Indolelactic acid 1.39
FA 22:0;O 1.39
PE O-32:1; PE O-16:1_16:0 1.39
CL 72:8; CL 18:2_18:2_18:2_18:2 1.38
TG 48:6 (1); TG 10:0_18:2_20:4 1.38
FA 22:5;O 1.38
Cysteine-S-sulfate 1.38
PC 38:6 (2); PC 16:0_22:6 1.38
PC O-38:6 1.37
CAR 22:2 1.37
PC 37:6; PC 15:0_22:6 1.36
PG 35:2; PG 17:0_18:2 1.35
PC 32:4; PC 12:0_20:4 1.35
TG 35:0; TG 10:0_12:0_13:0 1.34
PC O-38:7 1.34
FAHFA 38:5;O; FAHFA 20:4/18:1;O 1.34
PC O-39:10 1.34
CAR 6:0;O (1) 1.33
PE 38:4; PE 18:0_20:4 1.33
Kynurenine 1.33
CL 75:8; CL 18:1_18:2_18:2_21:3 1.33
PE 38:6 (2); PE 16:0_22:6 1.33
TG 50:6 (1); TG 12:0_18:2_20:4 1.33
PC O-37:9 1.32
Methionine sulfoxide 1.32
PE 39:6; PE 17:0_22:6 1.32
Hippuric acid 1.31
Guanosine 5'-monophosphate 1.31
PC 38:4; PC 18:0_20:4 1.31
N-Acetylvaline 1.3
PC 38:5; PC 18:1_20:4 1.29
PC 44:5 1.29
PEtOH 34:1; PEtOH 16:0_18:1 1.29
PG 44:12; PG 22:6_22:6 1.29
PC 28:0; PC 14:0_14:0 1.29
PC O-38:5 1.28
PC 30:1; PC 14:0_16:1 1.28
PE 38:5; PE 18:1_20:4 1.28
LPE 22:5 1.27
Genistein-4'-glucuronide 1.27
PC 40:1 1.27
LPC 22:6/0:0 1.25
Biopterin 1.25
LPC 20:4/0:0 (1) 1.25
PE 42:7;O; PE 20:4_22:3;O 1.25
PE O-40:5; PE O-18:1_22:4 1.25
PC 32:1; PC 16:0_16:1 1.25
CAR 12:0 1.25
PC 40:6; PC 20:2_20:4 1.25
PI 38:4; PI 18:0_20:4 1.25
PE 38:6 (1); PE 18:2_20:4 1.25
TG 48:6 (2); TG 10:0_16:0_22:6 1.24
PC 40:2 1.24
PC 41:1 1.24
PE 40:4; PE 18:0_22:4 1.24
1-Methyluric acid 1.24
PC 39:4; PC 19:0_20:4 1.24
PC O-37:8 1.24
PI 40:7; PI 18:1_22:6 1.23
DG 38:5; DG 16:0_22:5 1.23
PC O-35:8 (1) 1.23
PC 32:2; PC 16:1_16:1 1.23
LPC 16:1/0:0 1.23
TG 54:6 (1); TG 18:2_18:2_18:2 1.22
CAR 20:4 1.22
NAGly 31:1;O2; NAGly 16:0;O(FA 15:0) 1.22
Glu-Gly-Arg 1.22
PC 35:4; PC 15:0_20:4 1.22
CAR 2:0 1.22
PC 30:0; PC 14:0_16:0 1.21
LPC 22:4/0:0 1.21
LPC 14:0/0:0 1.21
PI 36:4; PI 16:0_20:4 1.21
TG 38:1; TG 10:0_12:0_16:1 1.2
PE O-35:2; PE O-17:1_18:1 1.2
5'-S-Methyl-5'-thioadenosine 1.2
PE O-38:5 (2); PE O-18:1_20:4 1.2
PE O-38:7 (2); PE O-16:1_22:6 1.2
PG 40:8; PG 18:2_22:6 1.19
DG 40:6; DG 18:2_22:4 1.19
TG 42:4; TG 10:0_12:0_20:4 1.19
PC 40:5; PC 18:0_22:5 1.19
CAR 20:3 1.19
FA 20:5 (1) 1.19
PC O-36:4 1.18
Cer 46:1;O3; Cer 20:0;O3/26:1 1.18
PC 38:3; PC 18:0_20:3 1.18
PC 36:1; PC 18:0_18:1 1.18
TG 50:4 (2); TG 14:0_16:0_20:4 1.18
PC 42:2; PC 24:0_18:2 1.18
PE O-37:5; PE O-17:1_20:4 1.18
PC 42:1 1.18
PC 34:1; PC 16:0_18:1 1.18
PI 36:1; PI 18:0_18:1 1.18
DG 40:4; DG 18:0_22:4 1.18
PI 38:3; PI 18:0_20:3 1.17
PC O-41:11 1.17
FAHFA 36:1;O; FAHFA 18:1/18:0;O 1.17
Urea 1.17
PS 36:1; PS 18:0_18:1 1.17
LPC 20:3/0:0 1.16
PC O-38:4 (1) 1.16
1-Methyladenosine 1.16
FA 25:0;O 1.16
PE O-36:5; PE O-16:1_20:4 1.16
PC 37:4; PC 17:0_20:4 1.16
PC 38:6 (1); PC 18:2_20:4 1.15
PE 38:1; PE 18:0_20:1 1.15
FA 28:6;O 1.14
CAR 4:0;O 1.14
PC 32:0; PC 16:0_16:0 1.14
Ile-Pro-Ile 1.14
PS 40:1; PS 22:0_18:1 1.14
Pyridoxine 1.13
CL 70:5; CL 16:0_18:1_18:2_18:2 1.13
TG 56:8 (1); TG 18:2_18:2_20:4 1.13
CAR 5:0 1.13
PC 34:2; PC 16:0_18:2 1.12
DG 36:4 (2); DG 16:0_20:4 1.12
PE 36:1; PE 18:0_18:1 1.12
FA 22:6 1.12
PI 38:5; PI 18:1_20:4 1.12
NAE 16:0 1.11
Carnitine 1.11
LPC 22:5/0:0 1.11
2'-Deoxyadenosine 1.11
CAR 6:0 1.11
FA 20:2;O 1.11
FA 14:0 1.11
PC 36:2; PC 18:1_18:1 1.11
PC 42:5; PC 22:1_20:4 1.1
PC 38:2; PC 18:0_20:2 1.1
Pro-Asp 1.1
FA 21:4 1.1
TG 40:2; TG 10:0_12:0_18:2 1.1
S-Succinylcysteine 1.09
LPC 16:0/0:0 1.09
Cer 46:0;O4; Cer 20:0;O3/26:0;(OH)2 1.09
PS 40:5; PS 18:0_22:5 1.09
PE O-36:6; PE O-16:1_20:5 1.08
DG 36:5; DG 18:2_18:3 1.08
PG 38:6 (1); PG 18:2_20:4 1.08
Succinic acid 1.08
Ectoine 1.08
PC 34:3; PC 16:0_18:3 1.07
CAR 18:1 1.07
PC 35:1; PC 17:0_18:1 1.07
PI 36:2; PI 18:0_18:2 1.07
TG 44:3; TG 8:0_18:1_18:2 1.07
Genistein 1.07
TG 40:3; TG 10:0_12:0_18:3 1.07
TG 54:6 (2); TG 16:0_18:2_20:4 1.07
PS 38:3; PS 18:0_20:3 1.07
Glycero-3-phosphocholine 1.06
LPE O-18:2 1.06
TG 42:2; TG 10:0_14:0_18:2 1.06
PE O-38:2 (2); PE O-18:1_20:1 1.06
TG 44:2; TG 10:0_16:0_18:2 1.06
PC O-34:1 1.06
TG 52:4 (2); TG 16:0_16:0_20:4 1.05
TG 46:2; TG 12:0_16:0_18:2 1.05
TG 40:0; TG 10:0_14:0_16:0 1.05
Orotic acid 1.05
TG 48:4 (1); TG 12:0_18:2_18:2 1.05
PS 34:2; PS 16:0_18:2 1.04
PC 42:4 (2) 1.04
PE O-34:3; PE O-16:1_18:2 1.03
PC 29:0 1.03
N-gamma-Glu-Leu 1.03
LPE 20:4 1.03
PC O-34:2 1.03
PC O-38:4 (2) 1.03
NAE 22:0 1.03
PC 31:1 1.03
N-Acetylleucine 1.03
PE 40:6; PE 18:0_22:6 1.03
CAR 20:2 1.03
TG 42:0; TG 12:0_14:0_16:0 1.02
CAR 5:1 1.02
PC 35:2; PC 17:0_18:2 1.02
N-Acetylcitrulline 1.02
TG 36:1; TG 8:0_10:0_18:1 1.02
PE O-36:3; PE O-18:2_18:1 1.02
LPE 18:1 1.02
gamma-Glu-Glu 1.02
CAR 14:0 1.01
PE 38:3; PE 18:0_20:3 1.01
TG 48:3; TG 12:0_18:1_18:2 1.01
PC 34:0; PC 16:0_18:0 1.01
PC 33:1; PC 15:0_18:1 1.01
CAR 16:1 (1) 1.01
TG 42:1; TG 8:0_16:0_18:1 1.01
TG 38:0; TG 10:0_12:0_16:0 1.0
TG 46:4 (1); TG 10:0_18:2_18:2 1.0
Nicotinamide 1.0
LPS 18:0 1.0
PC 33:0; PC 16:0_17:0 1.0
Pantothenic acid 0.99
TG 44:1; TG 12:0_14:0_18:1 0.99
PEtOH 36:2; PEtOH 18:0_18:2 0.99
PC 44:4 0.99
SM 38:1;O2 0.99
PC 37:2; PC 19:0_18:2 0.98
DG 36:4 (1); DG 18:2_18:2 0.98
TG 34:0; TG 10:0_12:0_12:0 0.98
Serine 0.97
Creatine 0.97
SM 40:4;O2 0.97
CAR 18:2 0.97
LPC 20:2/0:0 0.97
LPC 20:4/0:0 (2) 0.97
FAHFA 34:1;O; FAHFA 16:0/18:1;O 0.97
Choline 0.97
Glu-Gln 0.96
TG 44:0; TG 10:0_16:0_18:0 0.96
PE O-38:5 (1); PE O-16:1_22:4 0.95
TG 36:0; TG 10:0_12:0_14:0 0.95
CAR 18:3 0.95
TG 38:2; TG 10:0_10:0_18:2 0.95
CAR 16:0 0.95
Taurine 0.95
TG 54:5; TG 16:0_18:1_20:4 0.95
TG 41:0; TG 10:0_15:0_16:0 0.94
TG 54:7; TG 16:0_18:2_20:5 0.94
PC 33:2; PC 15:0_18:2 0.94
FA 20:4 0.94
FA 22:5 (2) 0.93
CAR 20:1 0.93
LPC 18:1/0:0 0.93
Trigonelline 0.93
TG 32:0; TG 8:0_10:0_14:0 0.93
HexCer 34:1;O2; HexCer 18:1;O2/16:0 0.92
SM 36:1;O2; SM 18:1;O2/18:0 0.92
PC 37:8 0.92
PG O-34:2; PG O-18:2_16:0 0.92
SM 36:0;O2 0.92
Glucose 1-phosphate 0.91
PE O-36:2; PE O-18:1_18:1 0.91
Phenylalanine 0.91
TG 46:1; TG 12:0_16:0_18:1 0.91
FA 24:0;O 0.91
Cer 34:2;O2; Cer 18:2;O2/16:0 0.91
DG 32:1; DG 14:0_18:1 0.91
CAR 15:0 0.9
PC 36:0; PC 18:0_18:0 0.9
Glu-Lys 0.9
HexCer 42:1;O2 0.9
Cer 42:0;O4; Cer 18:0;O3/24:0;(OH)2 0.9
TG 46:5; TG 10:0_18:2_18:3 0.9
NAE 18:0 0.9
alpha-Hydroxyglutaric acid 0.9
PC 31:0; PC 15:0_16:0 0.9
Carnosine 0.89
2-Hydroxybutyric acid 0.89
Cer 38:2;O2; Cer 18:2;O2/20:0 0.89
Methionine 0.89
5-Aminovaleric acid betaine 0.89
TG 52:4 (1); TG 16:1_18:1_18:2 0.89
Glutathione (oxidized) 0.89
Pro-hydroxy-Pro 0.88
Malonic acid 0.88
Cer 44:0;O4; Cer 20:0;O3/24:0;(OH)2 0.88
TG 46:3; TG 10:0_18:1_18:2 0.88
Arginine 0.88
PE O-40:7; PE O-18:1_22:6 0.87
Cer 32:1;O2; Cer 18:1;O2/14:0 0.87
Glutaric acid 0.87
gamma-Glu-Leu 0.87
Pipecolic acid 0.87
LPE 18:0 0.87
TG 45:2; TG 12:0_15:0_18:2 0.86
PE 36:4; PE 16:0_20:4 0.86
TG 46:0; TG 12:0_16:0_18:0 0.85
Val-Phe 0.85
N-Acetylhistidine 0.85
LPE 22:4 0.85
PC O-30:0 0.85
TG 48:2; TG 14:0_16:0_18:2 0.85
FA 13:0 0.84
PE 36:2; PE 18:1_18:1 0.84
HexCer 36:1;O2 0.84
PC 31:2 0.84
PS 36:2; PS 18:0_18:2 0.84
TG 48:0; TG 15:0_16:0_17:0 0.84
TG 48:1; TG 14:0_16:0_18:1 0.84
Vanillin-4-sulfate 0.84
Cer 38:1;O2; Cer 18:1;O2/20:0 0.84
FA 16:2 0.83
3-Indoxyl sulfate 0.83
LPC 15:0/0:0 0.83
PEtOH 34:2; PEtOH 16:0_18:2 0.83
Cer 42:3;O2; Cer 18:2;O2/24:1 0.83
FA 22:4 0.83
TG 56:5; TG 16:0_18:1_22:4 0.83
LPC 20:1/0:0 0.83
CAR 14:1 0.83
N-Acetylhistamine 0.82
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.82
4-Acetamidobutanoic acid 0.81
NAOrn 17:0;O 0.81
Cytidine 2',3'-cyclic monophosphoric acid 0.81
LPE 22:0 0.81
Cer 34:1;O2; Cer 18:1;O2/16:0 0.81
TG 41:2; TG 11:0_12:0_18:2 0.81
FA 22:6;O 0.81
gamma-Glu-Tyr 0.81
FA 24:5 0.81
DG 28:2; DG 10:0_18:2 0.81
Nicotinic acid 0.81
Lysine 0.81
gamma-Glu-Gln 0.81
Cer 36:2;O2; Cer 18:2;O2/18:0 0.8
CAR 20:0 0.8
Betaine 0.8
CAR 18:0 0.8
Uric acid 0.8
FA 16:0 0.8
N-Acetylneuraminate 0.8
PC O-36:2 0.8
Inosine 0.79
PE O-34:2; PE O-16:1_18:1 0.79
TG 43:2; TG 10:0_15:0_18:2 0.79
LPG 18:0 0.79
FA 22:5 (1) 0.79
N-Acetylglucosaminylasparagine 0.79
5-Methyl-2'-deoxycytidine 0.79
DG 36:3; DG 18:1_18:2 0.79
FA 17:1 0.79
Pro-Pro 0.79
CAR 14:0;O 0.79
LPC 20:5/0:0 (2) 0.79
Cer 36:1;O2; Cer 18:1;O2/18:0 0.79
LPC O-16:0 0.78
LPE 16:0 0.78
TG 47:3; TG 12:0_17:1_18:2 0.78
TG 43:0; TG 10:0_16:0_17:0 0.78
LPC 18:0/0:0 0.78
LPC 17:0/0:0 0.78
CAR 4:0 0.78
DG 36:1; DG 18:0_18:1 0.78
TG 39:0; TG 12:0_13:0_14:0 0.77
Leucine 0.77
Phenol sulfate 0.77
Cytidine 3'-monophosphate 0.77
Allantoin 0.76
Glu-Phe 0.76
Isoleucine 0.76
PG 34:2 (1); PG 16:0_18:2 0.76
Ala-Leu 0.76
PG 30:0; PG 14:0_16:0 0.76
CAR 16:2 0.76
PC O-34:0 0.76
Cytidine 0.76
FA 20:3 0.76
Cysteic acid 0.76
Hypotaurine 0.75
CAR 14:2;O 0.75
Citric acid 0.75
PG 38:5; PG 18:1_20:4 0.75
CAR 17:0 0.75
Cer 40:2;O2; Cer 18:2;O2/22:0 0.75
FA 15:0 0.75
SM 36:2;O2; SM 18:1;O2/18:1 0.74
FA 24:4 0.74
FA 16:1 0.74
LPC 22:1/0:0 0.74
Ile-Tyr 0.74
PC O-36:0 0.73
FA 20:2 0.73
TG 44:4 (1); TG 8:0_18:2_18:2 0.73
Xanthine 0.73
LPI 20:4 0.73
Piperidine 0.73
SM 42:2;O3 0.73
Agmatine 0.73
Ile-Ser 0.73
N-Acetylalanine 0.73
LPC 18:2/0:0 0.72
alpha-Ketoglutaric acid 0.72
PC O-35:8 (2) 0.72
Glucuronic acid 0.72
Pentose X-phosphate 0.72
Cer 42:2;O3; Cer 18:0;O3/24:2 0.71
Xanthurenic acid 0.71
N-Acetylmethionine 0.71
LPS 23:0 0.71
FA 24:6 0.71
NAE 24:0 0.71
Gly-Leu 0.71
LPE O-16:1 0.71
SM 34:0;O2 0.71
TG 43:1; TG 10:0_15:0_18:1 0.7
Daidzein 4'-sulfate 0.7
TG 47:4; TG 11:0_18:2_18:2 0.7
TG O-50:2; TG O-16:0_16:0_18:2 0.7
Suberic acid 0.7
Isocitric acid 0.7
N-Acetylaspartylglutamic acid 0.7
FA 17:0 0.7
FAHFA 36:2;O; FAHFA 18:1/18:1;O 0.7
SM 34:1;O2; SM 18:1;O2/16:0 0.69
Pyridoxal 0.69
Asparagine 0.69
PG 32:0; PG 16:0_16:0 0.69
LPC 18:3/0:0 0.69
N,N-Dimethylarginine 0.69
PE 32:1; PE 16:0_16:1 0.69
FA 19:2 0.69
LPE 17:0 0.69
CoQ8 0.68
Pseudouridine 0.68
Daidzein 0.68
N-Acetylglutamic acid 0.68
FA 18:1 0.68
LPI 18:0 0.68
SM 40:1;O2; SM 18:1;O2/22:0 0.68
Deoxycytidine 0.68
Serotonin 0.67
Uridine 0.67
Adenosine 3'-monophosphate 0.67
Arg-Pro 0.67
PE 37:2; PE 19:0_18:2 0.67
LPC 20:0/0:0 0.67
Spermidine 0.67
Anserine 0.67
TG 41:1; TG 11:0_12:0_18:1 0.67
TG 47:2; TG 14:0_15:0_18:2 0.67
Thr-Thr 0.67
PG 36:3; PG 18:1_18:2 0.66
FA 19:1 0.66
SM 28:1;O2 0.66
Hypoxanthine 0.66
Cer 40:1;O2; Cer 18:1;O2/22:0 0.66
CE 22:6 0.66
FA 20:5 (2) 0.66
HexCer 40:1;O2 0.66
LPE 19:0 0.66
Val-Glu 0.66
PC O-38:8 0.66
Cer 42:2;O2; Cer 18:2;O2/24:0 0.66
Ile-Phe 0.66
PI 34:2; PI 16:0_18:2 0.66
Stachydrine (proline betaine) 0.65
SM 32:1;O2; SM 16:1;O2/16:0 0.65
3-Hydroxybutyric acid 0.65
Cer 30:1;O2; Cer 18:1;O2/12:0 0.65
Tyramine 0.65
Threonine 0.65
TG 51:1; TG 16:0_17:0_18:1 0.65
FA 32:0 0.65
HexCer 41:1;O2 0.65
PC 36:4 (1); PC 18:2_18:2 0.65
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.65
PC 42:4 (1) 0.65
N-Acetylcarnosine 0.65
LPC 22:0/0:0 0.65
FA 18:0 0.64
FA 30:0 0.64
Trimethyllysine 0.64
Tryptophan 0.64
Pyruvic acid 0.64
PG 36:1; PG 18:0_18:1 0.64
FA 14:1 0.64
Val-Gln 0.64
TG 49:1; TG 15:0_16:0_18:1 0.64
Glycine 0.64
Ala-Ala 0.64
DG 32:0; DG 16:0_16:0 0.64
FA 18:3 0.64
TG 45:0; TG 14:0_15:0_16:0 0.63
Oxalic acid 0.63
FA 26:2 0.63
FA 18:0;O 0.63
FA 20:4;O 0.63
FA 24:3 0.62
Cadaverine 0.62
Val-Asn 0.62
N-Acetylputrescine 0.62
PE 38:2; PE 18:0_20:2 0.62
Guanosine 0.62
Cer 43:0;O3; Cer 18:0;O3/25:0 0.62
N-epsilon-Methyllysine 0.62
PG 34:2 (2); PG 16:0_18:2 0.62
Cer 44:1;O2; Cer 20:1;O2/24:0 0.61
Phenylacetylaspartic acid 0.61
Disaccharide 0.61
TG 45:1; TG 14:0_15:0_16:1 0.61
Cer 46:1;O2; Cer 20:1;O2/26:0 0.61
FA 18:1;O 0.61
PI 32:0; PI 16:0_16:0 0.61
FA 18:2 0.6
TG 37:0; TG 10:0_12:0_15:0 0.6
Alanine 0.6
Cer 42:1;O3; Cer 18:0;O3/24:1 0.6
TG 47:1; TG 15:0_16:0_16:1 0.6
Glutamine 0.6
FA 22:2 0.6
Lys-Ile 0.6
FA 16:0;O 0.6
PS 37:4; PS 17:0_20:4 0.59
LPI 15:0 0.59
SM 33:1;O2; SM 17:1;O2/16:0 0.59
TG 60:4; TG 18:1_24:1_18:2 0.59
LPC 24:2/0:0 0.59
LPC 19:0/0:0 0.59
Fumaric acid 0.59
LPE O-17:1 0.59
DG 30:0; DG 14:0_16:0 0.59
PI 30:0; PI 14:0_16:0 0.58
Val-Asp 0.58
Aconitic acid, cis- 0.58
Cer 42:1;O2; Cer 18:1;O2/24:0 0.58
CE 20:4 0.58
Flavine mononucleotide 0.58
FA 17:2 0.58
LPC 24:1/0:0 0.58
FA 30:1 0.58
CE 18:2 0.57
TG 52:3; TG 16:0_18:1_18:2 0.57
PE 34:4; PE 14:0_20:4 0.57
NAOrn 27:1;O 0.56
Uridine 5-monophosphate 0.56
TG 56:1; TG 16:0_22:0_18:1 0.56
FA 19:0 0.56
FA 32:1 0.56
PG 36:4 (2); PG 16:0_20:4 0.56
SM 34:2;O2; SM 18:2;O2/16:0 0.56
SM 39:1;O2 0.56
FA 28:1 0.56
Cer 41:2;O2; Cer 18:2;O2/23:0 0.56
FAHFA 36:3;O; FAHFA 18:2/18:1;O 0.56
Ophthalmic acid 0.55
LPE 24:0 0.55
DG 32:2; DG 14:0_18:2 0.55
Cer 44:2;O2; Cer 18:1;O2/26:1 0.55
TG 50:4 (1); TG 14:0_18:2_18:2 0.55
PC O-30:1 0.55
Histidine 0.55
Cer 44:0;O3; Cer 20:0;O3/24:0 0.55
LPS 22:0 0.55
FA 32:2 0.54
Guanine 0.54
Dimethylarginine 0.54
SM 42:2;O2; SM 18:1;O2/24:1 0.54
Adenosine 0.54
FA 20:4;O2 0.53
Cer 43:1;O2; Cer 18:1;O2/25:0 0.53
Cer 41:0;O3; Cer 18:0;O3/23:0 0.53
CAR 22:0 0.53
FA 34:1 0.53
TG 54:1; TG 16:0_20:0_18:1 0.53
Xanthosine 0.53
Pro-Ala 0.53
FA 36:1 0.53
FA 20:1 0.53
TG 54:3; TG 18:0_18:1_18:2 0.53
Sarcosine 0.53
CAR 16:1 (2) 0.52
DLCL 36:4; DLCL 18:2_18:2 0.52
Ile-Gln 0.52
His-Trp 0.52
Proline 0.52
SM 38:2;O2; SM 21:0;O2/17:2 0.52
Val-Val 0.52
FA 34:2 0.52
Cer 43:1;O3 0.52
SM 42:1;O2; SM 18:1;O2/24:0 0.52
FA 31:1 0.52
Cer 41:1;O2; Cer 18:1;O2/23:0 0.52
PE 40:5; PE 18:0_22:5 0.52
Phenylacetaldehyde 0.52
LPE 18:2 0.51
HexCer 34:0;O3 0.51
Cer 46:0;O3; Cer 20:0;O3/26:0 0.51
Cer 42:0;O3; Cer 18:0;O3/24:0 0.51
Sucrose 0.51
Thymine 0.51
Ser-Leu 0.51
Trisaccharide 0.5
Leu-Thr 0.5
FA 23:0 0.5
CAR 3:0 0.5
N-Acetylthreonine 0.5
Cer 33:1;O2; Cer 17:1;O2/16:0 0.5
FA 24:2 0.5
PE 34:1; PE 16:0_18:1 0.49
N6-Succinyladenosine 0.49
Creatinine 0.49
LPI 16:0 0.49
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 0.49
SM 40:2;O2; SM 18:2;O2/22:0 0.49
SM 43:1;O2 0.49
Ser-Ile 0.49
FA 23:1 0.49
TG 51:2; TG 16:0_17:1_18:1 0.49
Ser-Glu 0.49
Glycocholic acid 0.48
Cer 40:0;O3; Cer 18:0;O3/22:0 0.48
Cer 36:0;O3; Cer 18:0;O3/18:0 0.48
SM 41:1;O2; SM 18:1;O2/23:0 0.48
DG 36:2; DG 18:0_18:2 0.48
Cytidine 5'-monophosphate 0.48
TG 51:4; TG 15:0_18:2_18:2 0.48
FA 21:1 0.48
FA 24:1 0.48
Cer 34:0;O3; Cer 18:0;O3/16:0 0.48
Thiamine 0.48
LPC 24:0/0:0 0.47
FA 26:1 0.47
Ala-Val 0.47
Allothreonine 0.47
Cer 38:0;O3; Cer 18:0;O3/20:0 0.47
Aspartic acid 0.47
TG 52:1; TG 16:0_18:0_18:1 0.47
FA 15:1 0.47
CAR 4:1;O2 0.47
FA 21:0 0.46
Val-Ile 0.46
CE 18:1 0.46
Glutamic acid 0.46
Cytosine 0.46
SM 36:5;O2 0.46
N-Acetylaspartic acid 0.46
SM 42:3;O2; SM 29:2;O2/13:1 0.45
FA 22:1 0.45
NAOrn 19:0;O 0.45
FA 24:0 0.45
FA 21:3 0.45
Tyrosine 0.45
FA 28:0 0.45
FA 25:1 0.45
FA 22:0 0.45
FA 38:1 0.44
TMAO 0.44
Malic acid 0.44
LPC 23:0/0:0 0.44
N-Acetylphenylalanine 0.44
FA 26:0 0.43
N-Acetylornithine 0.43
SM 41:2;O2; SM 18:2;O2/23:0 0.43
PS 34:1; PS 16:0_18:1 0.43
LPG 18:2 0.43
FA 27:0 0.42
DG 34:1; DG 16:0_18:1 0.42
Ile-Asp 0.42
TG 53:2; TG 17:0_18:1_18:1 0.42
CoQ9 0.42
Arg-Phe 0.41
DG 34:3; DG 16:1_18:2 0.41
PG 34:1; PG 16:0_18:1 0.41
FA 25:0 0.41
TG 60:6; TG 18:1_20:1_22:4 0.41
FA 20:0 0.41
Gluconic acid 0.4
ST 27:1;O;S 0.4
LPG 16:0 0.4
PE 34:3; PE 16:1_18:2 0.39
Gln-Leu 0.39
N-Acetylserine 0.39
N,N-Dimethylvaline 0.39
Tetrasaccharide 0.39
3-Hydroxyisobutyric acid 0.39
Ergothioneine 0.38
FA 22:3 0.38
TG 56:3; TG 20:0_18:1_18:2 0.38
TG 50:1; TG 16:0_16:0_18:1 0.38
Adenine 0.38
Val-Leu 0.38
Flavin adenine dinucleotide 0.37
Leu-Ile 0.37
TG 58:5; TG 18:0_18:1_22:4 0.37
Val-Tyr 0.37
TG 50:3; TG 14:0_18:1_18:2 0.37
Ala-Ile 0.37
Urocanic acid 0.36
Gly-Glu 0.36
PE 34:2; PE 16:0_18:2 0.36
4-Pyridoxic acid 0.35
PG 32:1; PG 16:0_16:1 0.35
Citrulline 0.35
N-Acetylglucosamine 6-phosphate 0.35
PG 36:4 (1); PG 18:2_18:2 0.34
PG 36:2; PG 18:1_18:1 0.34
4-Hydroxyisoleucine 0.34
TG 57:2; TG 16:0_23:0_18:2 0.33
Lactic acid 0.33
Acetylcholine 0.33
Glucose 0.33
TG 51:3; TG 15:0_18:1_18:2 0.32
TG 52:2; TG 16:0_18:0_18:2 0.32
1-Methylhistidine 0.32
TG 52:6 (1); TG 16:1_18:2_18:3 0.32
Thymidine 0.31
alpha-Aminoadipic acid 0.31
N-Acetylgalactosamine 4-sulfate 0.3
TG 58:3; TG 16:0_24:1_18:2 0.3
TG 50:2; TG 16:0_16:0_18:2 0.3
N1-Acetylspermidine 0.29
TG 55:2; TG 18:0_18:1_19:1 0.29
Thr-Leu 0.28
Acetyl-beta-alanine 0.28
trans-Crotonobetaine 0.28
TG 60:2; TG 16:0_26:0_18:2 0.27
LPS 17:0 0.27
Ornithine 0.26
TG 54:2; TG 16:0_18:1_20:1 0.26
Pyridoxal 5-phosphate 0.26
TG 58:2; TG 16:0_18:1_24:1 0.24
TG 56:2; TG 16:0_18:1_22:1 0.24
TG 53:3; TG 17:0_18:1_18:2 0.24
N-Acetylarginine 0.22
PS 36:4; PS 16:0_20:4 0.19
Model performance: Q2 = 0.994, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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