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PCA
PLS-DA
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PC 30:2; PC 12:0_18:2 3.35
Leu-Thr 3.11
PC 24:0 3.09
PI 30:0; PI 14:0_16:0 3.07
FA 20:4;O2 3.06
PE 31:0; PE 15:0_16:0 3.06
PE 32:1; PE 16:0_16:1 3.06
Ile-Phe 3.0
LPC 23:0/0:0 3.0
Cer 36:0;O3; Cer 18:0;O3/18:0 2.98
LPE 19:0 2.97
Val-Val 2.97
LPE 24:0 2.97
Phenylacetylaspartic acid 2.92
FAHFA 25:0;O; FAHFA 3:0/22:0;O 2.92
TG 38:3; TG 8:0_12:0_18:3 2.91
TG 50:7; TG 10:0_18:2_22:5 2.91
PC 32:4; PC 12:0_20:4 2.89
TG 37:0; TG 10:0_12:0_15:0 2.86
TG 36:1; TG 8:0_10:0_18:1 2.85
FA 21:1 2.83
NAGly 31:1;O2; NAGly 16:0;O(FA 15:0) 2.8
FA 24:0;O 2.79
FA 28:1 2.78
PC 30:3 2.78
Pyridoxal 2.75
Glu-Phe 2.73
LPC 20:4/0:0 (2) 2.68
FAHFA 36:3;O; FAHFA 18:2/18:1;O 2.67
PC O-30:1 2.59
PG 30:0; PG 14:0_16:0 2.2
CAR 14:0 2.1
CAR 12:0 2.1
CAR 15:0 2.06
PC 28:0; PC 14:0_14:0 2.05
Carnosine 2.02
N-Acetylcarnosine 2.0
Pipecolic acid 1.97
TG 54:6 (1); TG 18:2_18:2_18:2 1.97
CAR 16:0 1.92
TG 53:3; TG 17:0_18:1_18:2 1.87
TG 53:6; TG 15:0_18:2_20:4 1.87
CAR 20:2 1.84
CAR 10:0 1.83
TG 53:2; TG 17:0_18:1_18:1 1.81
PC O-30:0 1.79
Hippuric acid 1.78
TG 51:3; TG 15:0_18:1_18:2 1.78
TG O-54:2; TG O-20:0_16:0_18:2 1.77
PE 36:6; PE 14:0_22:6 1.76
CAR 8:0 1.76
CAR 6:0 1.76
PE 34:4; PE 14:0_20:4 1.75
TG 51:4; TG 15:0_18:2_18:2 1.73
CAR 20:3 1.72
TG 56:9; TG 18:2_18:3_20:4 1.71
TG 52:4 (1); TG 16:1_18:1_18:2 1.71
TG 56:8 (1); TG 18:2_18:2_20:4 1.7
CAR 20:1 1.69
PC 30:0; PC 14:0_16:0 1.68
CAR 18:2 1.68
CAR 18:1 1.67
TG 60:4; TG 18:1_24:1_18:2 1.66
Ala-Leu 1.64
LPC 16:1/0:0 1.64
SM 28:1;O2 1.62
CAR 16:1 (1) 1.62
CAR 18:3 1.62
PEtOH 36:2; PEtOH 18:0_18:2 1.62
TG 54:3; TG 18:0_18:1_18:2 1.61
TG 52:3; TG 16:0_18:1_18:2 1.61
CAR 16:1 (2) 1.61
TG 55:2; TG 18:0_18:1_19:1 1.6
PC 30:1; PC 14:0_16:1 1.59
TG 56:3; TG 20:0_18:1_18:2 1.59
CAR 16:2 1.58
PC 29:0 1.56
TG 51:2; TG 16:0_17:1_18:1 1.55
TG 58:3; TG 16:0_24:1_18:2 1.55
TG 54:2; TG 16:0_18:1_20:1 1.54
CAR 18:0 1.53
SM 32:1;O2; SM 16:1;O2/16:0 1.52
CAR 17:0 1.52
TG O-52:2; TG O-18:1_16:0_18:1 1.51
TG 57:2; TG 16:0_23:0_18:2 1.51
PC 32:2; PC 16:1_16:1 1.48
PC 36:6; PC 14:0_22:6 1.48
TG 56:2; TG 16:0_18:1_22:1 1.48
CAR 4:0 1.48
PG 35:2; PG 17:0_18:2 1.48
TG 60:12; TG 18:2_20:4_22:6 1.48
CAR 12:0;O 1.47
DG 36:4 (1); DG 18:2_18:2 1.47
PI 36:2; PI 18:0_18:2 1.46
PEtOH 34:2; PEtOH 16:0_18:2 1.46
PC 34:4; PC 14:0_20:4 1.46
TG 60:2; TG 16:0_26:0_18:2 1.46
TG 52:2; TG 16:0_18:0_18:2 1.45
N-Acetylcitrulline 1.45
CAR 14:0;O 1.44
4-Guanidinobutyric acid 1.43
Val-Phe 1.43
DG 36:3; DG 18:1_18:2 1.42
Allothreonine 1.42
PEtOH 34:1; PEtOH 16:0_18:1 1.41
TG 58:11; TG 18:2_20:4_20:5 1.41
TG 58:2; TG 16:0_18:1_24:1 1.39
TG 54:6 (2); TG 16:0_18:2_20:4 1.39
TG 51:1; TG 16:0_17:0_18:1 1.37
N-Acetyl-S-benzylcysteine 1.37
Linoleoyl coenzyme A 1.36
DG 36:5; DG 18:2_18:3 1.36
CAR 20:0 1.35
TG 50:2; TG 16:0_16:0_18:2 1.35
CAR 10:0;O 1.34
CAR 14:1 1.33
Citrulline 1.31
PG 36:4 (1); PG 18:2_18:2 1.3
TG 52:1; TG 16:0_18:0_18:1 1.3
LPC 14:0/0:0 1.29
CAR 10:1 1.29
Val-Tyr 1.29
Ser-Leu 1.28
Xanthosine 1.28
Histamine 1.27
TG 54:1; TG 16:0_20:0_18:1 1.26
TG O-50:2; TG O-16:0_16:0_18:2 1.26
LPC 18:3/0:0 1.26
FA 20:2;O 1.25
TG 47:3; TG 12:0_17:1_18:2 1.24
SM 36:5;O2 1.24
Ser-Ile 1.23
N-Acetylhistamine 1.23
Ala-Ile 1.21
DG 34:3; DG 16:1_18:2 1.21
TG 50:1; TG 16:0_16:0_18:1 1.21
Cer 32:1;O2; Cer 18:1;O2/14:0 1.2
TG 50:3; TG 14:0_18:1_18:2 1.2
TG 46:5; TG 10:0_18:2_18:3 1.2
TG 56:1; TG 16:0_22:0_18:1 1.18
TG 43:1; TG 10:0_15:0_18:1 1.18
Daidzein 4'-sulfate 1.18
PE 39:6; PE 17:0_22:6 1.17
Thr-Leu 1.17
Lys-Ile 1.16
PG 34:2 (2); PG 16:0_18:2 1.16
TG 40:3; TG 10:0_12:0_18:3 1.15
PE O-38:2 (2); PE O-18:1_20:1 1.15
5-Aminovaleric acid betaine 1.15
CAR 8:0;O 1.15
TG 54:7; TG 16:0_18:2_20:5 1.15
TG 46:4 (1); TG 10:0_18:2_18:2 1.14
TG 49:1; TG 15:0_16:0_18:1 1.14
TG 58:8; TG 18:1_18:2_22:5 1.14
CAR 22:2 1.13
NAE 18:2 1.12
TG 58:10 (1); TG 18:2_20:4_20:4 1.12
SM 34:2;O2; SM 18:2;O2/16:0 1.12
PE 38:1; PE 18:0_20:1 1.11
CAR 18:1;O 1.11
N-Acetylarginine 1.11
FA 22:5;O 1.11
Cer 34:0;O3; Cer 18:0;O3/16:0 1.1
PE O-36:6; PE O-16:1_20:5 1.1
TG 58:10 (2); TG 16:0_20:4_22:6 1.1
TG 45:2; TG 12:0_15:0_18:2 1.09
PC 44:8 1.09
Ala-Val 1.09
Sucrose 1.08
Proline 1.08
Ectoine 1.08
Threonine 1.08
TG 42:3; TG 10:0_14:0_18:3 1.08
TG 46:3; TG 10:0_18:1_18:2 1.07
SM 36:2;O2; SM 18:1;O2/18:1 1.06
PC O-36:0 1.06
Anserine 1.06
TG 43:2; TG 10:0_15:0_18:2 1.04
PC 36:4 (1); PC 18:2_18:2 1.04
FA 21:4 1.04
CAR 20:4 1.03
TG 56:8 (2); TG 16:0_18:2_22:6 1.03
4-Pyridoxic acid 1.03
LPC 24:0/0:0 1.03
N-epsilon-Methyllysine 1.03
PI 36:1; PI 18:0_18:1 1.03
PE 37:2; PE 19:0_18:2 1.02
DG 36:2; DG 18:0_18:2 1.02
TG 40:1; TG 10:0_12:0_18:1 1.02
CL 72:8; CL 18:2_18:2_18:2_18:2 1.01
TG 44:3; TG 8:0_18:1_18:2 1.01
FA 22:6;O 0.99
TG 50:4 (1); TG 14:0_18:2_18:2 0.99
TG 38:2; TG 10:0_10:0_18:2 0.99
Val-Asn 0.99
FA 20:4;O 0.97
Urocanic acid 0.97
TG 38:1; TG 10:0_12:0_16:1 0.97
3'-Dephosphocoenzyme A 0.97
PC 35:1; PC 17:0_18:1 0.96
FA 21:3 0.96
Argininosuccinic acid 0.96
TG 40:2; TG 10:0_12:0_18:2 0.96
CAR 22:0 0.96
CAR 2:0 0.96
PC 33:1; PC 15:0_18:1 0.95
TG 60:11; TG 18:2_20:4_22:5 0.95
PE 34:3; PE 16:1_18:2 0.94
Malonic acid 0.94
TG 52:6 (2); TG 14:0_16:0_22:6 0.93
CAR 6:0;O (1) 0.93
TG 50:6 (2); TG 12:0_16:0_22:6 0.93
FA 18:2 0.93
TG 32:0; TG 8:0_10:0_14:0 0.92
TG 44:2; TG 10:0_16:0_18:2 0.92
FA 23:1 0.92
CAR 5:1 0.92
N-Acetylserine 0.92
N-Acetylthreonine 0.92
Ala-Ala 0.92
PS 38:3; PS 18:0_20:3 0.92
FA 14:0 0.92
TG 48:0; TG 15:0_16:0_17:0 0.92
Adenosine 5'-diphosphoribose 0.91
TG 34:0; TG 10:0_12:0_12:0 0.91
TG 48:3; TG 12:0_18:1_18:2 0.91
N-Acetylaspartylglutamic acid 0.91
Cer 34:2;O2; Cer 18:2;O2/16:0 0.91
Cer 40:1;O2; Cer 18:1;O2/22:0 0.91
PE 38:3; PE 18:0_20:3 0.91
Leu-Ile 0.9
TG 42:1; TG 8:0_16:0_18:1 0.89
FA 28:6;O 0.89
PC 33:2; PC 15:0_18:2 0.89
PE 40:6; PE 18:0_22:6 0.89
Cer 42:1;O3; Cer 18:0;O3/24:1 0.89
N-Acetylornithine 0.89
Val-Leu 0.88
TG 44:1; TG 12:0_14:0_18:1 0.88
PE 40:8; PE 18:2_22:6 0.88
Ile-Gln 0.87
Xanthine 0.87
TG 41:1; TG 11:0_12:0_18:1 0.86
DG 36:1; DG 18:0_18:1 0.86
GM3 34:1;O2 0.86
Arachidonoyl coenzyme A 0.86
N-Acetylvaline 0.85
PE O-38:2 (1); PE O-20:0_18:2 0.85
Cytidine 5'-monophosphate 0.85
Gln-Leu 0.85
2'-Deoxyuridine 5'-monophosphate 0.85
TG 48:4 (1); TG 12:0_18:2_18:2 0.85
TG 42:2; TG 10:0_14:0_18:2 0.84
DG 40:7; DG 18:2_22:5 0.84
PC 33:0; PC 16:0_17:0 0.83
TG 45:1; TG 14:0_15:0_16:1 0.83
PC 35:4; PC 15:0_20:4 0.83
Ile-Ser 0.82
PI 34:2; PI 16:0_18:2 0.82
Cer 40:2;O2; Cer 18:2;O2/22:0 0.82
Serine 0.82
LPC 17:0/0:0 0.82
Vanillin-4-sulfate 0.82
PE 36:2; PE 18:1_18:1 0.82
TG 41:0; TG 10:0_15:0_16:0 0.82
PE 34:1; PE 16:0_18:1 0.82
Val-Asp 0.82
Cytidine 5'-diphosphate ethanolamine 0.81
N,N-Dimethylarginine 0.81
TG 36:0; TG 10:0_12:0_14:0 0.81
PE 40:5; PE 18:0_22:5 0.81
PC 38:3; PC 18:0_20:3 0.81
PC 40:1 0.81
TG 54:5; TG 16:0_18:1_20:4 0.81
FA 18:3 0.81
TG 47:2; TG 14:0_15:0_18:2 0.81
FA 18:1 0.8
CAR 4:0;O 0.8
PC 37:6; PC 15:0_22:6 0.8
PI 38:6 (1); PI 18:2_20:4 0.8
PC O-35:8 (1) 0.8
TG 38:0; TG 10:0_12:0_16:0 0.8
LPC 22:0/0:0 0.79
PC 41:1 0.79
FA 17:2 0.79
LPC 18:1/0:0 0.79
TG 40:0; TG 10:0_14:0_16:0 0.79
TG 48:2; TG 14:0_16:0_18:2 0.79
TG 46:2; TG 12:0_16:0_18:2 0.78
PC 37:2; PC 19:0_18:2 0.78
LPI 20:4 0.78
PC 35:2; PC 17:0_18:2 0.78
Pseudouridine 0.78
PC 40:5; PC 18:0_22:5 0.78
PC 34:3; PC 16:0_18:3 0.78
PC 37:8 0.76
Inosine 5'-monophosphate 0.76
LPE 18:1 0.76
PC 31:1 0.76
Gly-Leu 0.76
Thr-Thr 0.76
TG 42:0; TG 12:0_14:0_16:0 0.75
Cer 41:1;O2; Cer 18:1;O2/23:0 0.75
LPE 22:6 0.75
TG 50:4 (2); TG 14:0_16:0_20:4 0.75
CAR 14:2;O 0.75
Adenine 0.74
Urea 0.74
Arg-Pro 0.74
TG 48:1; TG 14:0_16:0_18:1 0.74
PG 36:2; PG 18:1_18:1 0.74
N-Acetylhistidine 0.73
Cysteic acid 0.73
PS 36:4; PS 16:0_20:4 0.73
PG 38:5; PG 18:1_20:4 0.73
LPE 22:5 0.73
1-Methylhistidine 0.73
SM 39:1;O2 0.72
Cer 38:1;O2; Cer 18:1;O2/20:0 0.72
DG 40:8; DG 18:2_22:6 0.72
TG 52:4 (2); TG 16:0_16:0_20:4 0.71
PE O-36:5; PE O-16:1_20:4 0.71
TG 47:1; TG 15:0_16:0_16:1 0.71
N-Acetylputrescine 0.71
FA 19:1 0.71
Genistein-4'-glucuronide 0.71
CAR 4:1;O2 0.71
Flavin adenine dinucleotide 0.71
FA 22:1 0.71
TG 46:1; TG 12:0_16:0_18:1 0.7
CL 70:7; CL 16:1_18:2_18:2_18:2 0.7
PC O-37:9 0.69
trans-Crotonobetaine 0.69
FA 19:2 0.69
FA 34:1 0.69
TG 39:0; TG 12:0_13:0_14:0 0.68
Cer 44:2;O2; Cer 18:1;O2/26:1 0.68
LPC 19:0/0:0 0.68
N-Acetylleucine 0.68
Succinic acid 0.68
LPC 15:0/0:0 0.68
TG 52:6 (1); TG 16:1_18:2_18:3 0.68
Glutaric acid 0.67
LPC 20:4/0:0 (1) 0.67
PG 32:1; PG 16:0_16:1 0.67
N-Acetylglutamic acid 0.67
TG 44:0; TG 10:0_16:0_18:0 0.67
N-Acetylphenylalanine 0.67
N,N-Dimethylvaline 0.66
TG 50:6 (1); TG 12:0_18:2_20:4 0.66
Cysteine-S-sulfate 0.66
Nicotinic acid 0.66
LPC 22:6/0:0 0.66
CL 76:12; CL 18:2_18:2_18:2_22:6 0.65
gamma-Glu-Cys 0.65
Uridine diphosphate glucose 0.65
Cer 44:1;O2; Cer 20:1;O2/24:0 0.65
CoQ9 0.65
3-Indoxyl sulfate 0.65
4-Acetamidobutanoic acid 0.65
Glucose 0.64
Cytidine 5'-diphosphocholine 0.64
PC 36:0; PC 18:0_18:0 0.64
PC 37:4; PC 17:0_20:4 0.64
TG 43:0; TG 10:0_16:0_17:0 0.64
PI 38:3; PI 18:0_20:3 0.64
Cer 36:2;O2; Cer 18:2;O2/18:0 0.64
FA 26:1 0.64
CL 72:7; CL 18:1_18:2_18:2_18:2 0.64
LPC 24:1/0:0 0.63
CL 75:8; CL 18:1_18:2_18:2_21:3 0.63
PI 40:7; PI 18:1_22:6 0.63
PE 39:4; PE 19:0_20:4 0.62
CAR 5:0 0.62
Lactic acid 0.62
PE 40:7;O; PE 20:4_20:3;O 0.62
PE 38:6 (1); PE 18:2_20:4 0.62
PI 38:6 (2); PI 16:0_22:6 0.62
S-Lactoylglutathione 0.61
FA 18:4 0.61
DG 38:4; DG 18:0_20:4 0.61
TG 48:4 (2); TG 12:0_16:0_20:4 0.61
Pro-Asp 0.61
FA 21:0 0.61
alpha-Aminoadipic acid 0.61
TG 46:0; TG 12:0_16:0_18:0 0.61
LPC 20:3/0:0 0.61
PC O-35:8 (2) 0.61
LPC 22:4/0:0 0.61
TG 46:4 (2); TG 10:0_16:0_20:4 0.61
N-Acetylneuraminate 0.61
DG 34:1; DG 16:0_18:1 0.61
Adenosine 0.61
PE 38:2; PE 18:0_20:2 0.6
N-Acetylglucosamine 6-phosphate 0.6
Gluconic acid 0.6
PE O-35:5; PE O-15:1_20:4 0.59
PE 42:7;O; PE 20:4_22:3;O 0.59
Cer 41:2;O2; Cer 18:2;O2/23:0 0.59
PC 44:5 0.59
LPC 20:1/0:0 0.59
PI 36:4; PI 16:0_20:4 0.58
Val-Gln 0.58
LPE 17:0 0.58
LPE O-17:1 0.58
LPG 18:0 0.58
HexCer 40:1;O2 0.58
Cytidine 5'-monophospho-N-acetylneuraminic acid 0.58
Trigonelline 0.58
5-Methyl-2'-deoxycytidine 0.57
SM 42:3;O2; SM 29:2;O2/13:1 0.57
Uridine diphosphate glucuronic acid 0.57
SM 40:1;O2; SM 18:1;O2/22:0 0.57
PC O-36:2 0.57
Isocitric acid 0.57
SM 33:1;O2; SM 17:1;O2/16:0 0.57
Glucose 1-phosphate 0.56
PS 34:2; PS 16:0_18:2 0.56
PE O-38:7 (1); PE O-18:3_20:4 0.56
PC O-34:0 0.56
Ophthalmic acid 0.55
LPG 18:2 0.55
PC 36:2; PC 18:1_18:1 0.55
TG 45:0; TG 14:0_15:0_16:0 0.55
Thiamine 0.55
Cer 44:0;O3; Cer 20:0;O3/24:0 0.55
Dimethylarginine 0.55
PG 36:3; PG 18:1_18:2 0.55
PE O-40:7; PE O-18:1_22:6 0.55
CAR 3:0 0.55
FA 22:0 0.54
LPC O-16:0 0.54
Ile-Tyr 0.54
PE O-38:5 (2); PE O-18:1_20:4 0.54
TG 56:5; TG 16:0_18:1_22:4 0.54
Glutamic acid 0.54
PC 32:1; PC 16:0_16:1 0.54
FA 24:4 0.54
PC O-34:1 0.53
PE O-39:5; PE O-17:1_22:4 0.53
Ornithine 0.53
PE 36:4; PE 16:0_20:4 0.53
SM 34:1;O2; SM 18:1;O2/16:0 0.53
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.53
PG 36:1; PG 18:0_18:1 0.52
FA 32:1 0.52
Guanine 0.52
PC O-37:8 0.52
Cer 38:2;O2; Cer 18:2;O2/20:0 0.52
Thymidine 0.51
LPC 20:0/0:0 0.51
DG 32:0; DG 16:0_16:0 0.51
ST 27:1;O;S 0.51
FA 24:1 0.5
SM 41:1;O2; SM 18:1;O2/23:0 0.5
FA 18:0;O 0.5
Glu-Gln 0.5
CE 18:2 0.49
SM 38:4;O2; SM 21:0;O2/17:4 0.49
Cer 43:1;O2; Cer 18:1;O2/25:0 0.49
Hypotaurine 0.49
PE O-32:1; PE O-16:1_16:0 0.49
PE O-36:2; PE O-18:1_18:1 0.48
Cer 34:1;O2; Cer 18:1;O2/16:0 0.48
Cer 42:1;O2; Cer 18:1;O2/24:0 0.48
Phosphoenolpyruvic acid 0.48
Uridine 5-monophosphate 0.48
Cer 42:2;O2; Cer 18:2;O2/24:0 0.48
FA 14:1 0.48
FA 20:4 0.48
Acetyl-beta-alanine 0.47
Isoleucine 0.47
PE O-40:8; PE O-18:2_22:6 0.47
Pro-hydroxy-Pro 0.47
N-Acetylaspartic acid 0.47
DG 40:6; DG 18:2_22:4 0.47
N6-Threonylcarbamoyladenosine 0.46
LPG 16:0 0.46
1-Methyluric acid 0.46
CE 20:4 0.46
PC O-41:11 0.46
PG 42:10; PG 20:4_22:6 0.46
PC O-38:4 (2) 0.45
PC 31:0; PC 15:0_16:0 0.45
TG 62:11; TG 18:2_22:4_22:5 0.45
Thymine 0.45
FA 32:0 0.44
PG 34:1; PG 16:0_18:1 0.44
PI 38:5; PI 18:1_20:4 0.44
SM 36:1;O2; SM 18:1;O2/18:0 0.44
Methionine sulfoxide 0.44
HexCer 41:1;O2 0.44
TG 58:5; TG 18:0_18:1_22:4 0.44
Ile-Pro-Ile 0.44
FA 23:0 0.43
FA 16:0;O 0.43
Disaccharide 0.43
PS 34:1; PS 16:0_18:1 0.43
PS 38:1; PS 20:0_18:1 0.43
PC 34:0; PC 16:0_18:0 0.43
LPE 16:0 0.43
Fructose 6-phosphate 0.42
PC 34:2; PC 16:0_18:2 0.42
SM 38:2;O2; SM 21:0;O2/17:2 0.42
PE O-34:3; PE O-16:1_18:2 0.42
Guanosine 0.42
1-Methyladenosine 0.42
FA 30:1 0.42
Glu-Lys 0.42
Glycocholic acid 0.41
TG 52:8; TG 12:0_20:4_20:4 0.41
N-Acetylmethionine 0.41
SM 42:2;O2; SM 18:1;O2/24:1 0.4
Hypoxanthine 0.4
PE O-38:5 (1); PE O-16:1_22:4 0.4
Pentose X-phosphate 0.4
PG 34:2 (1); PG 16:0_18:2 0.4
Cer 43:0;O3; Cer 18:0;O3/25:0 0.39
Val-Ile 0.39
PS 37:4; PS 17:0_20:4 0.38
Adenosine 3'-monophosphate 0.38
PE O-34:2; PE O-16:1_18:1 0.38
PG 32:0; PG 16:0_16:0 0.37
Glucuronic acid 0.37
Pantothenic acid 0.37
FA 25:0 0.37
Trimethyllysine 0.37
FA 18:0 0.37
beta-Nicotinamide adenine dinucleotide 0.37
FA 24:3 0.37
PC 39:4; PC 19:0_20:4 0.36
N,N-Dimethylguanosine 0.36
PC 42:4 (1) 0.36
SM 43:1;O2 0.36
TG 60:10; TG 18:1_20:4_22:5 0.35
PC 44:4 0.35
gamma-Glu-Glu 0.35
N-Acetylglucosaminylasparagine 0.35
LPC 22:5/0:0 0.35
Pyridoxal 5-phosphate 0.35
Cer 40:0;O3; Cer 18:0;O3/22:0 0.35
Cer 42:0;O3; Cer 18:0;O3/24:0 0.34
PG 38:6 (1); PG 18:2_20:4 0.34
Glutathione (reduced) 0.34
PC 40:6; PC 20:2_20:4 0.34
FA 26:5 0.34
HexCer 42:1;O2 0.34
Uridine 0.34
PC 38:2; PC 18:0_20:2 0.34
N6-Succinyladenosine 0.34
Allantoin 0.33
PE O-35:2; PE O-17:1_18:1 0.33
Serotonin 0.33
PC 38:6 (1); PC 18:2_20:4 0.33
LPC 20:2/0:0 0.33
Glycero-3-phosphocholine 0.33
PE 38:6 (2); PE 16:0_22:6 0.33
Cer 33:1;O2; Cer 17:1;O2/16:0 0.33
PI 38:4; PI 18:0_20:4 0.32
NAE 18:0 0.32
FA 20:5 (1) 0.31
NAOrn 17:0;O 0.31
PE 38:4; PE 18:0_20:4 0.31
FA 17:1 0.31
LPE O-18:2 0.31
Arginine 0.31
PS 40:6; PS 18:0_22:6 0.31
Tryptophan 0.31
PE 34:2; PE 16:0_18:2 0.31
PC O-34:2 0.3
FA 18:1;O 0.3
Aspartic acid 0.3
alpha-Hydroxyglutaric acid 0.3
LPC 18:0/0:0 0.3
LPE O-16:1 0.3
PI 40:5; PI 18:0_22:5 0.3
PC O-38:5 0.29
PE O-40:5; PE O-18:1_22:4 0.29
FA 24:6 0.29
PG 38:6 (2); PG 16:0_22:6 0.29
PE 38:5; PE 18:1_20:4 0.29
FA 20:1 0.29
Inosine 0.29
PC O-38:6 0.29
FA 15:1 0.29
Ser-Glu 0.29
Histidine 0.29
Cer 41:0;O3; Cer 18:0;O3/23:0 0.29
FA 16:0 0.28
LPE 18:2 0.28
TG 54:8; TG 14:0_18:2_22:6 0.28
FA 30:0 0.28
Lysine 0.28
Cysteine-glutathione disulfide 0.28
CAR 6:0;O (2) 0.27
Biopterin 0.27
PC O-36:4 0.27
DG 38:6; DG 16:0_22:6 0.27
PC 38:6 (2); PC 16:0_22:6 0.27
Kynurenine 0.27
LPC 22:1/0:0 0.27
alpha-Ketoglutaric acid 0.27
Nicotinamide 0.26
FA 26:0 0.26
FA 17:0 0.26
Trisaccharide 0.26
Cer 42:3;O2; Cer 18:2;O2/24:1 0.26
PE 40:4; PE 18:0_22:4 0.26
PS 40:1; PS 22:0_18:1 0.25
Phenol sulfate 0.25
Uric acid 0.25
TG 60:6; TG 18:1_20:1_22:4 0.25
LPI 15:0 0.25
Val-Glu 0.25
SM 40:2;O2; SM 18:2;O2/22:0 0.25
gamma-Glu-Leu 0.25
5'-S-Methyl-5'-thioadenosine 0.25
S-Adenosylhomocysteine 0.25
N1-Acetylspermidine 0.24
FA 27:0 0.24
FA 22:6 0.24
PG 40:8; PG 18:2_22:6 0.24
LPC 20:5/0:0 (2) 0.24
FA 26:2 0.24
Cytosine 0.24
Guanosine 5'-monophosphate 0.23
4-Hydroxyisoleucine 0.23
LPS 17:0 0.23
PS 36:1; PS 18:0_18:1 0.22
FA 16:1 0.22
Aconitic acid, trans- 0.22
Alanine 0.22
N-Acetylalanine 0.21
Creatinine 0.21
Oxalic acid 0.21
DG 40:4; DG 18:0_22:4 0.21
PC 42:1 0.21
PE O-37:5; PE O-17:1_20:4 0.21
Suberic acid 0.21
Ergothioneine 0.21
Cer 36:1;O2; Cer 18:1;O2/18:0 0.21
Tryptamine 0.21
Fumaric acid 0.2
Malic acid 0.2
NAE 16:0 0.2
gamma-Glu-Gln 0.2
Choline 0.2
SM 36:0;O2 0.2
Aconitic acid, cis- 0.2
PC O-38:7 0.2
PE O-38:7 (2); PE O-16:1_22:6 0.2
FA 24:5 0.19
2-Hydroxybutyric acid 0.19
3-Hydroxybutyric acid 0.19
FA 22:5 (1) 0.19
Creatine 0.19
LPC 18:2/0:0 0.19
LPI 18:0 0.18
Acetylcholine 0.18
FA 20:0 0.18
Pyruvic acid 0.18
Citric acid 0.18
PC O-37:10 0.18
CoQ8 0.18
Tyrosine 0.18
Cer 38:0;O3; Cer 18:0;O3/20:0 0.18
Pro-Ala 0.18
FA 28:0 0.18
PI 32:0; PI 16:0_16:0 0.18
Spermidine 0.17
Sarcosine 0.17
Betaine 0.17
Taurine 0.17
LPS 18:0 0.17
FA 22:3 0.17
LPE 18:0 0.17
PE O-36:3; PE O-18:2_18:1 0.17
Asparagine 0.17
PC 42:2; PC 24:0_18:2 0.17
PG 38:4; PG 18:0_20:4 0.17
Adenylosuccinic acid 0.17
FA 22:2 0.17
Uridine 5'-diphosphoacetylglucosamine 0.17
Carnitine 0.16
Orotic acid 0.16
N-Acetylgalactosamine 4-sulfate 0.16
Glutathione (oxidized) 0.16
Piperidine 0.16
PG 36:4 (2); PG 16:0_20:4 0.16
S-Succinylcysteine 0.16
Cytidine 0.16
PC 42:4 (2) 0.16
CL 70:5; CL 16:0_18:1_18:2_18:2 0.16
PS 36:2; PS 18:0_18:2 0.16
FA 24:0 0.16
PC 36:1; PC 18:0_18:1 0.16
FA 16:2 0.15
DG 36:4 (2); DG 16:0_20:4 0.15
FA 24:2 0.15
FA 20:5 (2) 0.15
SM 34:0;O2 0.15
FA 15:0 0.15
FA 20:2 0.15
PC 38:4; PC 18:0_20:4 0.15
Flavine mononucleotide 0.15
Tyramine 0.15
Cer 30:1;O2; Cer 18:1;O2/12:0 0.15
FA 22:5 (2) 0.15
FA 20:3 0.15
3-Hydroxyisobutyric acid 0.15
DG 38:5; DG 16:0_22:5 0.14
PC 40:2 0.14
FA 22:4 0.14
Methionine 0.14
LPE 22:4 0.14
SM 41:2;O2; SM 18:2;O2/23:0 0.13
Ile-Asp 0.13
Gly-Glu 0.13
FA 19:0 0.13
Glycine 0.13
PC 32:0; PC 16:0_16:0 0.12
Stachydrine (proline betaine) 0.12
CL 72:6; CL 18:1_18:1_18:2_18:2 0.12
LPE 20:4 0.12
PC O-38:8 0.12
Phenylalanine 0.12
Pro-Pro 0.12
Glutamine 0.12
NAOrn 19:0;O 0.12
gamma-Glu-Tyr 0.12
TMAO 0.12
PC O-39:10 0.12
PC O-38:4 (1) 0.11
SM 40:4;O2 0.11
Leucine 0.11
CL 74:10; CL 18:2_18:2_18:2_20:4 0.1
PE 36:1; PE 18:0_18:1 0.1
Deoxycytidine 0.1
PC 34:1; PC 16:0_18:1 0.1
Indolelactic acid 0.1
FA 13:0 0.1
PS 40:5; PS 18:0_22:5 0.09
PC 36:4 (2); PC 16:0_20:4 0.09
SM 38:1;O2 0.09
PC 42:5; PC 22:1_20:4 0.09
SM 42:1;O2; SM 18:1;O2/24:0 0.09
PC 38:5; PC 18:1_20:4 0.09
CL 74:7; CL 18:1_18:1_18:2_20:3 0.09
LPC 16:0/0:0 0.07
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.06
Phenylacetaldehyde 0.06
N-gamma-Glu-Leu 0.06
NAOrn 27:1;O 0.02
Model performance: Q2 = 0.991, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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