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PCA
PLS-DA
Analyte VIP score
Glycocholic acid 3.09
Cer 41:0;O3; Cer 18:0;O3/23:0 2.57
PC O-35:8 (2) 2.55
Cer 46:1;O2; Cer 20:1;O2/26:0 2.55
Argininosuccinic acid 2.52
PEtOH 36:2; PEtOH 18:0_18:2 2.5
LPE 20:2 2.49
FA 36:1 2.43
CAR 6:0;O (1) 2.43
FA 28:1 2.43
HexCer 36:1;O2 2.43
PEtOH 34:2; PEtOH 16:0_18:2 2.38
PG 35:2; PG 17:0_18:2 2.38
PEtOH 34:1; PEtOH 16:0_18:1 2.34
PE O-32:1; PE O-16:1_16:0 2.29
FA 34:1 2.23
N-Acetylcarnosine 2.18
FA 17:2 2.14
PC O-37:10 2.14
Cer 43:1;O3 2.14
Cer 43:0;O3; Cer 18:0;O3/25:0 2.11
N,N-Dimethylarginine 2.11
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 2.09
Daidzein 4'-sulfate 2.05
FA 32:0 2.02
gamma-Glu-Gln 2.01
Thymidine 1.99
FA 30:1 1.98
PC 39:4; PC 19:0_20:4 1.98
Glucose 1.97
ST 27:1;O;S 1.95
4-Guanidinobutyric acid 1.95
Histamine 1.95
FA 23:1 1.94
FAHFA 36:3;O; FAHFA 18:2/18:1;O 1.91
Glu-Gln 1.9
FA 32:1 1.9
Carnosine 1.9
Arg-Phe 1.89
LPC 23:0/0:0 1.89
FA 22:6;O 1.89
Cytidine 5'-monophospho-N-acetylneuraminic acid 1.88
Thymine 1.87
PC 30:2; PC 12:0_18:2 1.87
PC O-38:8 1.86
Cer 38:0;O3; Cer 18:0;O3/20:0 1.86
Hippuric acid 1.85
Xanthosine 1.85
FA 22:5;O 1.84
Daidzein 1.83
Genistein-4'-glucuronide 1.82
LPC 24:2/0:0 1.81
PMeOH 34:1; PMeOH 16:0_18:1 1.79
DG 36:5; DG 18:2_18:3 1.78
PC 32:4; PC 12:0_20:4 1.77
PI 30:0; PI 14:0_16:0 1.77
DG 32:2; DG 14:0_18:2 1.77
CAR 4:1;O2 1.75
Glutaric acid 1.75
DG 36:4 (1); DG 18:2_18:2 1.75
LPC 19:0/0:0 1.74
LPE 19:0 1.74
TMAO 1.73
PC 42:1 1.73
CL 72:8; CL 18:2_18:2_18:2_18:2 1.72
PE 37:2; PE 19:0_18:2 1.71
Val-Gln 1.7
NAOrn 17:0;O 1.68
PG 34:2 (2); PG 16:0_18:2 1.68
Glu-Lys 1.67
TG O-54:2; TG O-20:0_16:0_18:2 1.66
Trigonelline 1.66
PS 34:1; PS 16:0_18:1 1.65
PC 37:2; PC 19:0_18:2 1.65
TG 52:1; TG 16:0_18:0_18:1 1.64
PG 38:6 (1); PG 18:2_20:4 1.63
FA 26:2 1.62
Glu-Phe 1.61
PC 37:4; PC 17:0_20:4 1.61
FA 20:2;O 1.61
beta-Nicotinamide adenine dinucleotide 1.61
Uric acid 1.6
TG 50:1; TG 16:0_16:0_18:1 1.59
Taurine 1.59
SM 41:1;O2; SM 18:1;O2/23:0 1.58
PE 39:4; PE 19:0_20:4 1.56
Disaccharide 1.56
SM 43:1;O2 1.56
N-Acetyl-S-benzylcysteine 1.55
N-Acetylcitrulline 1.55
Cer 41:1;O2; Cer 18:1;O2/23:0 1.55
PC 40:1 1.54
PC 34:2;O; PC 16:0_18:2;O 1.54
CE 18:2 1.53
Adenosine 5'-diphosphoribose 1.52
gamma-Glu-Glu 1.52
Pantothenic acid 1.52
N-Acetylhistidine 1.52
HexCer 41:1;O2 1.52
Cer 41:2;O2; Cer 18:2;O2/23:0 1.52
PC 40:6; PC 20:2_20:4 1.52
PE O-34:2; PE O-16:1_18:1 1.51
Val-Tyr 1.51
PC 35:2; PC 17:0_18:2 1.51
Cadaverine 1.5
FA 30:0 1.5
N6-Threonylcarbamoyladenosine 1.5
DG 40:6; DG 18:2_22:4 1.49
TG 54:1; TG 16:0_20:0_18:1 1.48
LPC 22:1/0:0 1.48
TG 54:2; TG 16:0_18:1_20:1 1.48
Serotonin 1.48
LPC 20:2/0:0 1.47
Cer 44:0;O3; Cer 20:0;O3/24:0 1.46
CAR 20:1 1.44
Cer 40:0;O3; Cer 18:0;O3/22:0 1.44
CAR 18:1;O 1.44
PC 33:2; PC 15:0_18:2 1.44
Cer 43:1;O2; Cer 18:1;O2/25:0 1.44
CL 74:10; CL 18:2_18:2_18:2_20:4 1.44
TG 48:1; TG 14:0_16:0_18:1 1.43
PE O-40:8; PE O-18:2_22:6 1.43
SM 36:0;O2 1.42
PC 36:4 (1); PC 18:2_18:2 1.4
S-Succinylcysteine 1.39
PG 36:2; PG 18:1_18:1 1.39
LPC 20:5/0:0 (2) 1.38
PC O-36:2 1.37
PC O-41:11 1.36
Ergothioneine 1.36
PC 31:2 1.35
FA 18:0;O 1.35
TG 52:2; TG 16:0_18:0_18:2 1.35
trans-Crotonobetaine 1.34
CAR 17:0 1.34
FA 18:4 1.33
PC 38:4; PC 18:0_20:4 1.33
Kynurenine 1.33
gamma-Glu-Tyr 1.33
PI 34:2; PI 16:0_18:2 1.33
PMeOH 34:2; PMeOH 16:0_18:2 1.32
FA 24:3 1.32
PC 38:6 (1); PC 18:2_20:4 1.31
PC 36:2; PC 18:1_18:1 1.31
PC O-34:1 1.31
CAR 15:0 1.31
Betaine 1.31
CAR 18:3 1.3
FA 18:2 1.3
Cer 42:0;O3; Cer 18:0;O3/24:0 1.29
3'-Dephosphocoenzyme A 1.29
CAR 14:2;O 1.29
TG 62:14; TG 20:4_20:4_22:6 1.29
PE O-38:2 (2); PE O-18:1_20:1 1.27
TG 50:6 (1); TG 12:0_18:2_20:4 1.27
Glu-Gly-Arg 1.27
Gly-Glu 1.27
TG 46:4 (1); TG 10:0_18:2_18:2 1.27
TG 50:2; TG 16:0_16:0_18:2 1.27
TG 42:3; TG 10:0_14:0_18:3 1.26
FA 20:4;O 1.26
CL 75:8; CL 18:1_18:2_18:2_21:3 1.26
gamma-Glu-Cys 1.26
DG 34:4; DG 14:0_20:4 1.25
PE 34:2; PE 16:0_18:2 1.25
Xanthosine 5'-monophosphate 1.24
SM 39:1;O2 1.24
TG 42:4; TG 10:0_12:0_20:4 1.24
DG 36:3; DG 18:1_18:2 1.24
TG 40:1; TG 10:0_12:0_18:1 1.24
PC 38:5; PC 18:1_20:4 1.23
FA 20:4;O2 1.23
TG 38:1; TG 10:0_12:0_16:1 1.23
PC 40:5; PC 18:0_22:5 1.23
TG 44:4 (1); TG 8:0_18:2_18:2 1.23
PC 37:8 1.23
Flavin adenine dinucleotide 1.22
alpha-Hydroxyglutaric acid 1.22
PG 40:8; PG 18:2_22:6 1.21
Ectoine 1.21
TG 36:1; TG 8:0_10:0_18:1 1.21
TG 36:2; TG 8:0_10:0_18:2 1.21
Riboflavin 1.2
PE 36:2; PE 18:1_18:1 1.2
N-Acetylleucine 1.2
TG 52:6 (2); TG 14:0_16:0_22:6 1.2
PC 35:4; PC 15:0_20:4 1.19
N,N-Dimethylguanosine 1.19
N-Acetylaspartylglutamic acid 1.18
PC 34:2;O2; PC 16:0_18:2;O2 1.18
FA 18:3 1.18
His-Trp 1.17
Cysteic acid 1.17
TG 50:8; TG 10:0_18:2_22:6 1.17
FA 23:0 1.17
FA 18:1;O 1.17
PE O-36:3; PE O-18:2_18:1 1.17
LPC 17:0/0:0 1.16
Xanthine 1.16
PI 36:2; PI 18:0_18:2 1.16
TG 47:4; TG 11:0_18:2_18:2 1.16
PE O-36:2; PE O-18:1_18:1 1.16
DG 28:2; DG 10:0_18:2 1.15
PG 36:4 (1); PG 18:2_18:2 1.15
Glutathione (oxidized) 1.15
Trisaccharide 1.15
N-Acetylarginine 1.14
LPC 18:3/0:0 1.14
TG 48:0; TG 15:0_16:0_17:0 1.14
NAE 18:2 1.14
CAR 16:2 1.13
PC 34:2; PC 16:0_18:2 1.13
PC O-30:1 1.12
TG 56:2; TG 16:0_18:1_22:1 1.12
TG O-50:2; TG O-16:0_16:0_18:2 1.12
Leu-Thr 1.12
LPC 20:1/0:0 1.12
Cer 44:1;O2; Cer 20:1;O2/24:0 1.12
PE O-40:7; PE O-18:1_22:6 1.11
Lys-Ile 1.11
Pseudouridine 1.11
LPE O-16:1 1.11
LPC 22:5/0:0 1.11
TG 54:3; TG 18:0_18:1_18:2 1.11
LPE 18:2 1.11
CAR 2:0 1.1
TG 51:1; TG 16:0_17:0_18:1 1.1
TG 44:4 (2); TG 12:0_14:0_18:4 1.1
4-Acetamidobutanoic acid 1.1
TG 42:2; TG 10:0_14:0_18:2 1.1
Uridine diphosphate glucose 1.09
Phenylalanine 1.09
1-Methylhistidine 1.09
Flavine mononucleotide 1.09
SM 41:2;O2; SM 18:2;O2/23:0 1.09
LPC 20:4/0:0 (1) 1.09
TG 48:6 (2); TG 10:0_16:0_22:6 1.08
Anserine 1.08
TG 45:3; TG 10:0_17:1_18:2 1.08
CAR 14:1 1.08
TG 49:1; TG 15:0_16:0_18:1 1.08
1-Methyluric acid 1.07
PG 38:5; PG 18:1_20:4 1.07
PE 40:4; PE 18:0_22:4 1.07
FA 22:5 (1) 1.06
PC 37:6; PC 15:0_22:6 1.06
CAR 5:0 1.06
Tetrasaccharide 1.06
Ser-Glu 1.05
Sarcosine 1.05
PE 38:6 (1); PE 18:2_20:4 1.04
Cer 34:0;O3; Cer 18:0;O3/16:0 1.04
PC 32:2; PC 16:1_16:1 1.04
PG 32:0; PG 16:0_16:0 1.04
Cytidine 5'-diphosphate ethanolamine 1.04
LPI 20:4 1.04
TG 45:2; TG 12:0_15:0_18:2 1.04
PC 34:0; PC 16:0_18:0 1.03
PE 31:0; PE 15:0_16:0 1.03
FA 26:5 1.03
PE 32:1; PE 16:0_16:1 1.03
FA 19:2 1.03
LPC 20:0/0:0 1.03
2'-Deoxyuridine 5'-monophosphate 1.02
TG 42:1; TG 8:0_16:0_18:1 1.01
TG 38:3; TG 8:0_12:0_18:3 1.01
TG 38:4; TG 8:0_10:0_20:4 1.01
Val-Phe 1.0
TG 35:0; TG 10:0_12:0_13:0 1.0
CL 74:7; CL 18:1_18:1_18:2_20:3 1.0
CL 72:7; CL 18:1_18:2_18:2_18:2 1.0
FA 26:6 0.99
Stachydrine (proline betaine) 0.99
CL 76:12; CL 18:2_18:2_18:2_22:6 0.99
FA 19:0 0.99
PG 36:3; PG 18:1_18:2 0.99
Cytidine 2',3'-cyclic monophosphoric acid 0.99
5-Methyl-2'-deoxycytidine 0.98
PC O-34:0 0.98
FA 16:2 0.98
N-Acetylputrescine 0.98
CAR 18:2 0.98
SM 42:2;O3 0.98
Glucuronic acid 0.97
PE 38:2; PE 18:0_20:2 0.97
LPC 18:2/0:0 0.97
CAR 20:2 0.97
CAR 20:3 0.97
PG 30:0; PG 14:0_16:0 0.97
PE 38:5; PE 18:1_20:4 0.97
DG 34:3; DG 16:1_18:2 0.96
CoQ8 0.96
FA 19:1 0.96
PG 42:10; PG 20:4_22:6 0.95
DG 28:3; DG 10:0_18:3 0.95
DG 30:3; DG 12:0_18:3 0.95
Allothreonine 0.94
TG 58:10 (2); TG 16:0_20:4_22:6 0.94
Thr-Leu 0.94
TG 40:0; TG 10:0_14:0_16:0 0.94
CL 70:5; CL 16:0_18:1_18:2_18:2 0.93
Cysteine-S-sulfate 0.93
N-Acetylvaline 0.93
Glutathione (reduced) 0.93
PC O-37:9 0.92
Linoleoyl coenzyme A 0.92
PE 34:3; PE 16:1_18:2 0.92
N-Acetylgalactosamine 4-sulfate 0.92
PE O-38:7 (2); PE O-16:1_22:6 0.92
2'-Deoxyadenosine 0.91
Pyridoxal 0.91
TG 46:1; TG 12:0_16:0_18:1 0.91
FA 20:2 0.91
PC 32:1; PC 16:0_16:1 0.91
TG 56:3; TG 20:0_18:1_18:2 0.91
TG 44:2; TG 10:0_16:0_18:2 0.9
LPC 18:0/0:0 0.9
TG 52:8; TG 12:0_20:4_20:4 0.9
Ala-Ala 0.89
Cer 33:1;O2; Cer 17:1;O2/16:0 0.89
TG 53:2; TG 17:0_18:1_18:1 0.89
Cer 42:3;O2; Cer 18:2;O2/24:1 0.89
TG 46:4 (2); TG 10:0_16:0_20:4 0.89
TG 60:6; TG 18:1_20:1_22:4 0.89
DG 26:2; DG 8:0_18:2 0.89
FA 21:3 0.89
CAR 22:0 0.88
LPE O-18:2 0.88
SM 33:1;O2; SM 17:1;O2/16:0 0.88
TG 51:2; TG 16:0_17:1_18:1 0.88
Cystine 0.88
PS 37:4; PS 17:0_20:4 0.88
TG 48:6 (1); TG 10:0_18:2_20:4 0.88
CL 70:7; CL 16:1_18:2_18:2_18:2 0.88
TG 30:0; TG 8:0_10:0_12:0 0.88
Cer 46:1;O3; Cer 20:0;O3/26:1 0.87
SM 28:1;O2 0.87
TG 56:8 (1); TG 18:2_18:2_20:4 0.87
TG 43:2; TG 10:0_15:0_18:2 0.87
SM 42:1;O2; SM 18:1;O2/24:0 0.87
DG 38:4; DG 18:0_20:4 0.87
PC 34:4; PC 14:0_20:4 0.86
PI 40:7; PI 18:1_22:6 0.86
CAR 8:0 0.86
CAR 4:0 0.86
PE O-35:2; PE O-17:1_18:1 0.85
FA 28:6;O 0.85
TG 52:4 (2); TG 16:0_16:0_20:4 0.85
TG 47:3; TG 12:0_17:1_18:2 0.85
Allantoin 0.85
TG 50:4 (2); TG 14:0_16:0_20:4 0.85
PI 36:1; PI 18:0_18:1 0.84
FA 20:5 (1) 0.84
Pro-Ala 0.84
TG 58:5; TG 18:0_18:1_22:4 0.84
Isocitric acid 0.84
FA 21:0 0.84
LPG 18:2 0.84
TG 48:2; TG 14:0_16:0_18:2 0.84
TG 46:0; TG 12:0_16:0_18:0 0.84
TG 56:1; TG 16:0_22:0_18:1 0.83
TG 56:8 (2); TG 16:0_18:2_22:6 0.83
PC 36:0; PC 18:0_18:0 0.83
PI 38:6 (1); PI 18:2_20:4 0.83
Cer 40:2;O2; Cer 18:2;O2/22:0 0.82
TG 41:0; TG 10:0_15:0_16:0 0.82
alpha-Ketoglutaric acid 0.81
TG 32:0; TG 8:0_10:0_14:0 0.81
PC 32:0; PC 16:0_16:0 0.81
TG 50:6 (2); TG 12:0_16:0_22:6 0.81
Leu-Ile 0.81
DG 30:4; DG 10:0_20:4 0.81
LPE O-17:1 0.81
PC 42:4 (2) 0.8
PC O-38:4 (1) 0.8
Fumaric acid 0.8
PG 38:4; PG 18:0_20:4 0.8
FA 22:4 0.8
DG 38:5; DG 16:0_22:5 0.8
FA 17:0 0.8
CAR 5:1 0.79
PC 24:0 0.79
Glucose 1-phosphate 0.79
PE O-38:2 (1); PE O-20:0_18:2 0.79
PS 40:6; PS 18:0_22:6 0.79
PG 36:4 (2); PG 16:0_20:4 0.78
LPE 24:0 0.78
Pentose X-phosphate 0.78
PI 36:4; PI 16:0_20:4 0.78
DG 30:1; DG 12:0_18:1 0.78
N-Acetylglucosamine 6-phosphate 0.78
Tryptamine 0.77
Cer 42:1;O2; Cer 18:1;O2/24:0 0.77
Malic acid 0.77
PS 36:2; PS 18:0_18:2 0.77
LPC 22:6/0:0 0.77
Nicotinic acid 0.77
Cer 46:0;O3; Cer 20:0;O3/26:0 0.77
NAGly 31:1;O2; NAGly 16:0;O(FA 15:0) 0.77
PE 39:6; PE 17:0_22:6 0.77
PC 34:3; PC 16:0_18:3 0.76
LPC 22:0/0:0 0.76
Cer 42:2;O2; Cer 18:2;O2/24:0 0.76
SM 36:5;O2 0.76
PI 38:4; PI 18:0_20:4 0.76
TG 43:1; TG 10:0_15:0_18:1 0.76
CL 92:4; CL 18:0_26:0_28:0_20:4 0.76
PC O-38:4 (2) 0.76
TG 47:1; TG 15:0_16:0_16:1 0.76
Val-Asn 0.76
PC O-39:10 0.76
Sucrose 0.76
FA 20:4 0.76
LPC 16:1/0:0 0.75
PS 36:1; PS 18:0_18:1 0.75
Arginine 0.75
Ile-Pro-Ile 0.75
TG 60:10; TG 18:1_20:4_22:5 0.75
Ile-Ser 0.74
CAR 22:2 0.74
Orotic acid 0.74
Cer 36:0;O3; Cer 18:0;O3/18:0 0.74
DG 40:7; DG 18:2_22:5 0.74
DG 30:0; DG 14:0_16:0 0.74
CAR 16:1 (2) 0.73
PE 38:4; PE 18:0_20:4 0.73
Phenylacetylaspartic acid 0.73
LPC 15:0/0:0 0.73
PC 36:4 (2); PC 16:0_20:4 0.73
Adenosine 0.73
PC O-38:5 0.72
Val-Val 0.72
TG 58:8; TG 18:1_18:2_22:5 0.72
N-Acetylornithine 0.72
Citric acid 0.72
FA 20:1 0.71
HexCer 34:1;O2; HexCer 18:1;O2/16:0 0.71
FA 21:4 0.71
SM 34:0;O2 0.71
PC O-38:7 0.7
4-Hydroxyisoleucine 0.7
Cer 32:1;O2; Cer 18:1;O2/14:0 0.69
PE 40:5; PE 18:0_22:5 0.69
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.69
DG 32:0; DG 16:0_16:0 0.69
PC 30:3 0.69
PE 34:4; PE 14:0_20:4 0.69
PS 40:5; PS 18:0_22:5 0.69
LPC O-16:0 0.69
TG 50:3; TG 14:0_18:1_18:2 0.68
FA 27:0 0.68
DG 40:8; DG 18:2_22:6 0.68
FA 15:1 0.68
TG 58:11; TG 18:2_20:4_20:5 0.68
PC 30:0; PC 14:0_16:0 0.68
TG 54:6 (1); TG 18:2_18:2_18:2 0.68
PS 40:1; PS 22:0_18:1 0.68
PE O-39:5; PE O-17:1_22:4 0.68
TG 44:3; TG 8:0_18:1_18:2 0.67
SM 42:3;O2; SM 29:2;O2/13:1 0.67
SM 32:1;O2; SM 16:1;O2/16:0 0.67
Ophthalmic acid 0.67
PE O-37:5; PE O-17:1_20:4 0.67
Ile-Asp 0.67
SM 38:4;O2; SM 21:0;O2/17:4 0.67
3-Hydroxyisobutyric acid 0.66
PC O-38:6 0.66
TG 58:3; TG 16:0_24:1_18:2 0.66
LPE 22:4 0.66
Phe-Phe 0.66
Val-Asp 0.66
FA 14:0 0.66
Ala-Leu 0.66
LPE 17:0 0.65
PS 38:1; PS 20:0_18:1 0.65
CAR 12:0 0.65
Cer 36:1;O2; Cer 18:1;O2/18:0 0.65
N-Acetylserine 0.64
LPE 20:4 0.64
SM 36:1;O2; SM 18:1;O2/18:0 0.64
NAE 18:0 0.64
TG 50:7; TG 10:0_18:2_22:5 0.64
Nicotinamide 0.63
TG 56:5; TG 16:0_18:1_22:4 0.63
PC 38:2; PC 18:0_20:2 0.63
PC 30:1; PC 14:0_16:1 0.63
TG 60:2; TG 16:0_26:0_18:2 0.62
TG 48:4 (2); TG 12:0_16:0_20:4 0.62
PS 36:4; PS 16:0_20:4 0.62
TG 48:4 (1); TG 12:0_18:2_18:2 0.62
TG O-52:2; TG O-18:1_16:0_18:1 0.62
PG 44:12; PG 22:6_22:6 0.62
LPE 22:0 0.62
GM3 34:1;O2 0.62
Proline 0.62
Citrulline 0.62
PE 38:3; PE 18:0_20:3 0.61
TG 53:6; TG 15:0_18:2_20:4 0.61
CE 20:4 0.61
CE 22:6 0.61
TG 51:4; TG 15:0_18:2_18:2 0.61
TG 55:2; TG 18:0_18:1_19:1 0.61
FA 25:0 0.61
TG 54:5; TG 16:0_18:1_20:4 0.61
FA 17:1 0.61
CAR 20:0 0.61
TG 58:2; TG 16:0_18:1_24:1 0.61
Threonine 0.61
CAR 6:0;O (2) 0.6
CAR 10:0 0.6
N-Acetylphenylalanine 0.6
TG 52:3; TG 16:0_18:1_18:2 0.6
Malonic acid 0.6
N-Acetylneuraminate 0.59
FA 20:3 0.59
PC 38:6 (2); PC 16:0_22:6 0.59
CAR 8:0;O 0.59
TG 45:1; TG 14:0_15:0_16:1 0.59
Tryptophan 0.59
Gln-Leu 0.58
Pipecolic acid 0.58
Cytosine 0.58
Uridine diphosphate glucuronic acid 0.57
Ile-Phe 0.57
Alanine 0.57
FA 15:0 0.57
TG 54:7; TG 16:0_18:2_20:5 0.57
N-Acetylglucosaminylasparagine 0.56
TG 40:3; TG 10:0_12:0_18:3 0.56
PC O-44:6 0.56
CE 18:1 0.56
TG 62:11; TG 18:2_22:4_22:5 0.56
FA 16:0 0.56
TG 41:1; TG 11:0_12:0_18:1 0.56
TG 60:11; TG 18:2_20:4_22:5 0.56
SM 36:2;O2; SM 18:1;O2/18:1 0.56
TG 57:2; TG 16:0_23:0_18:2 0.56
TG 58:10 (1); TG 18:2_20:4_20:4 0.56
FA 24:4 0.55
TG 43:0; TG 10:0_16:0_17:0 0.55
Fructose 6-phosphate 0.55
FA 22:0 0.55
TG 41:2; TG 11:0_12:0_18:2 0.55
Cer 40:1;O2; Cer 18:1;O2/22:0 0.54
S-Adenosylhomocysteine 0.54
PC 38:3; PC 18:0_20:3 0.54
Cer 38:2;O2; Cer 18:2;O2/20:0 0.54
LPC 20:5/0:0 (1) 0.54
Glutamic acid 0.54
PE O-36:6; PE O-16:1_20:5 0.54
TG 38:2; TG 10:0_10:0_18:2 0.54
Thiamine 0.53
PE O-34:3; PE O-16:1_18:2 0.53
Cer 42:1;O3; Cer 18:0;O3/24:1 0.53
Inosine 5'-monophosphate 0.53
TG 44:0; TG 10:0_16:0_18:0 0.53
TG 44:1; TG 12:0_14:0_18:1 0.53
DG 36:2; DG 18:0_18:2 0.53
Deoxycytidine 0.52
PC 28:0; PC 14:0_14:0 0.52
SM 40:2;O2; SM 18:2;O2/22:0 0.52
FA 28:0 0.52
PC 34:1; PC 16:0_18:1 0.52
Asparagine 0.52
FA 18:1 0.52
Spermidine 0.52
Inosine 0.51
PE 38:1; PE 18:0_20:1 0.51
4-Pyridoxic acid 0.51
DG 36:4 (2); DG 16:0_20:4 0.51
PC O-30:0 0.5
TG 36:0; TG 10:0_12:0_14:0 0.5
TG 53:3; TG 17:0_18:1_18:2 0.5
TG 54:8; TG 14:0_18:2_22:6 0.5
N6-Succinyladenosine 0.5
PE O-35:5; PE O-15:1_20:4 0.5
N-epsilon-Methyllysine 0.5
CAR 14:0 0.5
TG 34:0; TG 10:0_12:0_12:0 0.5
TG 42:0; TG 12:0_14:0_16:0 0.5
TG 48:3; TG 12:0_18:1_18:2 0.5
Cer 30:1;O2; Cer 18:1;O2/12:0 0.5
TG 52:4 (1); TG 16:1_18:1_18:2 0.49
TG 60:12; TG 18:2_20:4_22:6 0.49
TG 56:9; TG 18:2_18:3_20:4 0.49
CAR 14:0;O 0.49
CAR 12:0;O 0.49
PC 35:1; PC 17:0_18:1 0.49
Pro-Asp 0.49
Indolelactic acid 0.49
TG 47:2; TG 14:0_15:0_18:2 0.48
PE 36:1; PE 18:0_18:1 0.48
3-Hydroxybutyric acid 0.48
LPI 16:0 0.48
TG 46:2; TG 12:0_16:0_18:2 0.48
SM 38:1;O2 0.48
PC O-34:2 0.48
N-Acetylalanine 0.48
FA 24:6 0.48
PI 38:3; PI 18:0_20:3 0.48
Cytidine 5'-monophosphate 0.48
N-Acetylglutamic acid 0.48
PE 40:7;O; PE 20:4_20:3;O 0.47
Cytidine 5'-diphosphocholine 0.47
Pyridoxine 0.47
CAR 20:4 0.47
Cer 36:2;O2; Cer 18:2;O2/18:0 0.47
LPI 18:0 0.47
LPC 14:0/0:0 0.47
PE 36:4; PE 16:0_20:4 0.47
SM 40:4;O2 0.46
TG 40:2; TG 10:0_12:0_18:2 0.46
S-Lactoylglutathione 0.46
TG 60:4; TG 18:1_24:1_18:2 0.46
TG 51:3; TG 15:0_18:1_18:2 0.46
DG 28:1; DG 10:0_18:1 0.46
PC 36:1; PC 18:0_18:1 0.46
Vanillin-4-sulfate 0.45
TG 38:0; TG 10:0_12:0_16:0 0.45
CL 72:6; CL 18:1_18:1_18:2_18:2 0.45
TG 54:6 (2); TG 16:0_18:2_20:4 0.45
Cer 42:2;O3; Cer 18:0;O3/24:2 0.45
Cer 34:2;O2; Cer 18:2;O2/16:0 0.45
Guanine 0.45
PC 42:2; PC 24:0_18:2 0.45
PE 42:7;O; PE 20:4_22:3;O 0.45
TG 52:6 (1); TG 16:1_18:2_18:3 0.45
3-Indoxyl sulfate 0.44
PC 40:2 0.44
TG 50:4 (1); TG 14:0_18:2_18:2 0.44
PG 38:6 (2); PG 16:0_22:6 0.44
FA 24:0 0.44
Biopterin 0.44
CAR 10:1 0.44
FA 24:0;O 0.44
LPC 24:0/0:0 0.44
CAR 6:0 0.43
FA 21:1 0.43
CAR 16:0 0.43
DG 40:4; DG 18:0_22:4 0.43
CAR 4:0;O 0.42
TG 46:3; TG 10:0_18:1_18:2 0.42
FA 20:5 (2) 0.42
Guanosine 0.42
Methionine sulfoxide 0.41
LPC 24:1/0:0 0.41
CAR 10:0;O 0.41
CAR 16:1 (1) 0.41
TG 39:0; TG 12:0_13:0_14:0 0.41
TG 46:5; TG 10:0_18:2_18:3 0.41
PG 36:1; PG 18:0_18:1 0.41
PC 33:1; PC 15:0_18:1 0.41
FA 22:6 0.41
PI 40:5; PI 18:0_22:5 0.41
LPE 18:1 0.41
PE O-38:5 (2); PE O-18:1_20:4 0.4
FA 14:1 0.4
PC 31:1 0.4
Lysine 0.4
PE O-38:7 (1); PE O-18:3_20:4 0.4
N,N-Dimethylvaline 0.4
Glutamine 0.4
CAR 18:0 0.4
CAR 3:0 0.39
SM 42:2;O2; SM 18:1;O2/24:1 0.39
PE O-38:5 (1); PE O-16:1_22:4 0.39
Cer 34:1;O2; Cer 18:1;O2/16:0 0.39
PG 32:1; PG 16:0_16:1 0.39
Cer 44:2;O2; Cer 18:1;O2/26:1 0.38
Uridine 5'-diphosphoacetylglucosamine 0.38
LPC 20:3/0:0 0.38
PC 44:8 0.38
Hypotaurine 0.38
DG 36:1; DG 18:0_18:1 0.38
PC O-35:8 (1) 0.38
Ornithine 0.38
Pyruvic acid 0.38
PC 29:0 0.38
Carnitine 0.38
Glycine 0.38
Acetylcholine 0.37
Aspartic acid 0.37
Dimethylarginine 0.37
Arachidonoyl coenzyme A 0.37
FA 24:2 0.37
PG O-34:2; PG O-18:2_16:0 0.37
TG 45:0; TG 14:0_15:0_16:0 0.36
gamma-Glu-Leu 0.36
FA 26:0 0.36
CAR 18:1 0.36
Tyrosine 0.36
Adenosine 3'-monophosphate 0.36
HexCer 42:1;O2 0.36
1-Methyladenosine 0.36
N-Acetylhistamine 0.36
PC 42:4 (1) 0.35
FA 24:5 0.35
LPC 22:4/0:0 0.34
Ser-Ile 0.34
NAOrn 19:0;O 0.34
5'-S-Methyl-5'-thioadenosine 0.34
N1-Acetylspermidine 0.34
PC 36:6; PC 14:0_22:6 0.34
Thr-Thr 0.34
FA 20:0 0.34
PC O-36:4 0.33
Isoleucine 0.33
LPE 16:0 0.33
Hypoxanthine 0.33
PS 38:3; PS 18:0_20:3 0.33
LPE 22:5 0.32
SM 34:2;O2; SM 18:2;O2/16:0 0.32
Ile-Tyr 0.32
LPE 22:6 0.32
Oxalic acid 0.32
LPC 16:0/0:0 0.32
SM 34:1;O2; SM 18:1;O2/16:0 0.32
Gly-Leu 0.32
PE 34:1; PE 16:0_18:1 0.31
Ser-Leu 0.31
PG 34:2 (1); PG 16:0_18:2 0.31
FA 22:2 0.31
PC O-37:8 0.31
CoQ9 0.31
Adenylosuccinic acid 0.31
PE 36:6; PE 14:0_22:6 0.31
Aconitic acid, cis- 0.31
Gluconic acid 0.31
Pro-Pro 0.31
Ala-Val 0.3
FA 22:5 (2) 0.3
PE O-36:5; PE O-16:1_20:4 0.3
Serine 0.3
Uridine 0.3
Ala-Ile 0.3
Suberic acid 0.29
TG 37:0; TG 10:0_12:0_15:0 0.29
FA 22:1 0.29
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.28
Methionine 0.28
PI 32:0; PI 16:0_16:0 0.28
FA 16:0;O 0.28
Phosphoenolpyruvic acid 0.27
PE 40:6; PE 18:0_22:6 0.27
PE O-40:5; PE O-18:1_22:4 0.27
Piperidine 0.27
FA 24:1 0.27
Cytidine 0.27
Pro-hydroxy-Pro 0.27
Succinic acid 0.27
Uridine 5-monophosphate 0.27
PG 34:1; PG 16:0_18:1 0.27
Arg-Pro 0.26
Ile-Gln 0.26
Leucine 0.26
Urocanic acid 0.26
DG 38:6; DG 16:0_22:6 0.26
N-Acetylthreonine 0.25
N-Acetylmethionine 0.25
DG 32:1; DG 14:0_18:1 0.25
N-Acetylaspartic acid 0.25
NAE 16:0 0.25
Val-Leu 0.25
LPS 18:0 0.25
LPG 16:0 0.25
Choline 0.25
Acetyl-beta-alanine 0.24
Cysteine-glutathione disulfide 0.24
Val-Ile 0.24
Adenine 0.23
Creatine 0.23
LPC 20:4/0:0 (2) 0.23
FA 22:3 0.22
PS 34:2; PS 16:0_18:2 0.22
Val-Glu 0.22
PC 44:5 0.22
Guanosine 5'-monophosphate 0.22
FA 18:0 0.22
PE 38:6 (2); PE 16:0_22:6 0.22
Glycero-3-phosphocholine 0.22
FA 26:1 0.22
Creatinine 0.22
LPE 18:0 0.21
Xanthurenic acid 0.21
FA 16:1 0.21
SM 38:2;O2; SM 21:0;O2/17:2 0.21
N-gamma-Glu-Leu 0.21
PC O-36:0 0.2
Aconitic acid, trans- 0.2
PI 38:6 (2); PI 16:0_22:6 0.2
2-Hydroxybutyric acid 0.2
Phenol sulfate 0.2
FA 13:0 0.2
Pyridoxal 5-phosphate 0.2
Cer 38:1;O2; Cer 18:1;O2/20:0 0.19
PC 44:4 0.19
DG 34:1; DG 16:0_18:1 0.18
Urea 0.18
PI 38:5; PI 18:1_20:4 0.18
LPS 17:0 0.18
alpha-Aminoadipic acid 0.18
SM 40:1;O2; SM 18:1;O2/22:0 0.17
Rev-Erbα 0.17
LPC 18:1/0:0 0.17
Trimethyllysine 0.17
PC 31:0; PC 15:0_16:0 0.16
HexCer 40:1;O2 0.16
PE 40:8; PE 18:2_22:6 0.16
Per2 0.15
Bmal1 0.15
Histidine 0.13
PC 42:5; PC 22:1_20:4 0.13
Cry1 0.13
5-Aminovaleric acid betaine 0.12
Lactic acid 0.12
NAOrn 27:1;O 0.12
Phenylacetaldehyde 0.11
Per1 0.11
LPI 15:0 0.1
PC 33:0; PC 16:0_17:0 0.1
Clock 0.1
Tyramine 0.08
Model performance: Q2 = 0.998, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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