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PCA
PLS-DA
Analyte VIP score
PC 24:0 4.18
Tetrasaccharide 4.15
LPE 20:2 3.97
FA 21:4 3.94
CAR 22:0 3.79
Cytidine 5'-monophospho-N-acetylneuraminic acid 3.74
FA 26:6 3.58
Linoleoyl coenzyme A 3.55
Arg-Phe 3.53
TG 40:1; TG 10:0_12:0_18:1 3.49
FA 34:1 3.49
Cer 46:1;O2; Cer 20:1;O2/26:0 3.36
beta-Nicotinamide adenine dinucleotide 3.34
CAR 20:3 3.33
TG 44:3; TG 8:0_18:1_18:2 3.3
TG 42:3; TG 10:0_14:0_18:3 3.25
DG 34:4; DG 14:0_20:4 3.25
TG 36:1; TG 8:0_10:0_18:1 3.23
CAR 16:2 3.23
Cer 44:0;O3; Cer 20:0;O3/24:0 3.2
His-Trp 3.19
FA 18:4 2.87
FA 20:4;O2 2.68
PC 30:3 2.38
PC 28:0; PC 14:0_14:0 2.31
Hippuric acid 2.13
TG 53:6; TG 15:0_18:2_20:4 2.08
Pipecolic acid 2.05
Ala-Leu 2.04
S-Lactoylglutathione 2.03
LPC 18:3/0:0 2.0
SM 28:1;O2 1.95
Glu-Lys 1.92
Cytidine 5'-diphosphate ethanolamine 1.9
LPC 22:6/0:0 1.88
DG 36:5; DG 18:2_18:3 1.88
FA 20:5 (1) 1.86
CAR 12:0 1.84
PC O-30:1 1.81
Uridine diphosphate glucuronic acid 1.78
TG 56:9; TG 18:2_18:3_20:4 1.77
PC 34:2;O; PC 16:0_18:2;O 1.76
PG 30:0; PG 14:0_16:0 1.74
CAR 6:0;O (1) 1.74
FA 21:3 1.72
LPC 22:5/0:0 1.72
CAR 10:0 1.72
FA 18:3 1.72
Cysteic acid 1.72
CAR 10:1 1.68
TG 51:4; TG 15:0_18:2_18:2 1.68
TG 54:6 (1); TG 18:2_18:2_18:2 1.64
CoQ8 1.64
FA 22:5 (1) 1.6
N-Acetylornithine 1.6
Allothreonine 1.6
PMeOH 34:2; PMeOH 16:0_18:2 1.59
Uridine diphosphate glucose 1.59
FA 22:6 1.59
FA 20:4;O 1.59
TG 53:3; TG 17:0_18:1_18:2 1.58
Isocitric acid 1.57
Thymidine 1.56
TG 51:3; TG 15:0_18:1_18:2 1.55
PC 30:1; PC 14:0_16:1 1.55
Glutathione (oxidized) 1.55
TG 52:4 (1); TG 16:1_18:1_18:2 1.54
TG 58:11; TG 18:2_20:4_20:5 1.54
N1-Acetylspermidine 1.54
PC 30:0; PC 14:0_16:0 1.54
TG 56:8 (1); TG 18:2_18:2_20:4 1.53
TG 54:7; TG 16:0_18:2_20:5 1.53
Cytidine 5'-diphosphocholine 1.53
LPC 20:4/0:0 (1) 1.53
CAR 14:0 1.51
FA 20:2;O 1.5
LPC 22:4/0:0 1.49
Adenosine 5'-diphosphoribose 1.48
TG 40:0; TG 10:0_14:0_16:0 1.48
PC 34:4; PC 14:0_20:4 1.46
TG 54:6 (2); TG 16:0_18:2_20:4 1.46
Citrulline 1.45
N-epsilon-Methyllysine 1.45
FA 22:5 (2) 1.44
PC O-30:0 1.44
FA 20:4 1.43
Citric acid 1.43
Thymine 1.42
N-Acetylcitrulline 1.42
TG 42:2; TG 10:0_14:0_18:2 1.4
DG 34:3; DG 16:1_18:2 1.4
Threonine 1.38
PC 29:0 1.38
CAR 8:0 1.38
FA 24:6 1.38
CAR 6:0 1.37
PC 30:2; PC 12:0_18:2 1.37
PMeOH 34:1; PMeOH 16:0_18:1 1.37
Sucrose 1.36
CAR 12:0;O 1.36
5-Aminovaleric acid betaine 1.36
TG 41:0; TG 10:0_15:0_16:0 1.35
PG O-34:2; PG O-18:2_16:0 1.35
Ectoine 1.35
Hypotaurine 1.34
CAR 8:0;O 1.34
Ile-Asp 1.34
SM 32:1;O2; SM 16:1;O2/16:0 1.34
LPC 14:0/0:0 1.33
Daidzein 4'-sulfate 1.33
TG 42:1; TG 8:0_16:0_18:1 1.31
N-Acetylhistidine 1.3
TG 36:0; TG 10:0_12:0_14:0 1.3
1-Methylhistidine 1.3
Lysine 1.3
TG 38:0; TG 10:0_12:0_16:0 1.3
5'-S-Methyl-5'-thioadenosine 1.27
Val-Ile 1.26
CAR 6:0;O (2) 1.26
PE 31:0; PE 15:0_16:0 1.26
TG 38:1; TG 10:0_12:0_16:1 1.26
TG 50:6 (2); TG 12:0_16:0_22:6 1.26
FA 20:3 1.25
N-Acetylphenylalanine 1.24
TG 42:0; TG 12:0_14:0_16:0 1.24
gamma-Glu-Glu 1.24
CAR 10:0;O 1.22
PC 36:6; PC 14:0_22:6 1.21
Uric acid 1.21
DG 30:0; DG 14:0_16:0 1.21
TG 52:3; TG 16:0_18:1_18:2 1.21
TG 46:4 (2); TG 10:0_16:0_20:4 1.21
TG 32:0; TG 8:0_10:0_14:0 1.2
Leu-Thr 1.18
TG 34:0; TG 10:0_12:0_12:0 1.17
FA 22:4 1.16
LPC 20:2/0:0 1.16
FA 19:2 1.15
Urocanic acid 1.15
4-Pyridoxic acid 1.14
gamma-Glu-Cys 1.14
TG 44:2; TG 10:0_16:0_18:2 1.13
N-Acetylleucine 1.13
Cysteine-glutathione disulfide 1.13
Val-Leu 1.12
TG 44:1; TG 12:0_14:0_18:1 1.12
TG 54:5; TG 16:0_18:1_20:4 1.12
SM 36:2;O2; SM 18:1;O2/18:1 1.12
Cer 32:1;O2; Cer 18:1;O2/14:0 1.12
Acetylcholine 1.11
FA 18:2 1.11
FA 16:2 1.09
LPC 23:0/0:0 1.09
Glu-Gln 1.09
TG 43:0; TG 10:0_16:0_17:0 1.09
TG 40:2; TG 10:0_12:0_18:2 1.09
CAR 4:0;O 1.08
PE O-38:2 (1); PE O-20:0_18:2 1.08
N-Acetylhistamine 1.08
Val-Asp 1.08
LPC 19:0/0:0 1.07
Inosine 1.07
LPC 17:0/0:0 1.07
LPC 20:4/0:0 (2) 1.07
Trisaccharide 1.06
Cer 30:1;O2; Cer 18:1;O2/12:0 1.06
Leu-Ile 1.06
LPC 20:3/0:0 1.06
Uridine 5'-diphosphoacetylglucosamine 1.05
TG 58:8; TG 18:1_18:2_22:5 1.05
FA 32:1 1.05
Biopterin 1.05
PI 30:0; PI 14:0_16:0 1.05
CAR 2:0 1.04
LPE 19:0 1.04
FA 20:2 1.03
FA 17:2 1.03
PC 32:4; PC 12:0_20:4 1.03
TG 54:3; TG 18:0_18:1_18:2 1.03
DG 36:4 (1); DG 18:2_18:2 1.03
LPS 22:0 1.03
Ile-Phe 1.02
TG 44:0; TG 10:0_16:0_18:0 1.02
TG 50:2; TG 16:0_16:0_18:2 1.02
FA 22:6;O 1.02
TG 43:1; TG 10:0_15:0_18:1 1.01
Anserine 1.01
LPC 16:1/0:0 1.01
CAR 14:0;O 1.01
TG 56:8 (2); TG 16:0_18:2_22:6 1.01
PE 34:4; PE 14:0_20:4 0.99
TG 53:2; TG 17:0_18:1_18:1 0.99
TG 58:10 (1); TG 18:2_20:4_20:4 0.99
TG 51:2; TG 16:0_17:1_18:1 0.99
Arg-Pro 0.99
CAR 20:4 0.99
TG O-54:2; TG O-20:0_16:0_18:2 0.98
LPC 24:0/0:0 0.98
N-gamma-Glu-Leu 0.97
PE 39:4; PE 19:0_20:4 0.97
LPE 20:4 0.97
Gly-Glu 0.97
Trigonelline 0.97
FA 24:5 0.97
N-Acetylneuraminate 0.97
PC 33:0; PC 16:0_17:0 0.96
Adenylosuccinic acid 0.96
TG 43:2; TG 10:0_15:0_18:2 0.96
FA 26:2 0.96
TG 60:12; TG 18:2_20:4_22:6 0.95
N-Acetylvaline 0.95
SM 36:5;O2 0.95
TG 45:2; TG 12:0_15:0_18:2 0.94
PE 37:2; PE 19:0_18:2 0.94
N6-Succinyladenosine 0.94
CAR 14:1 0.94
LPC 22:0/0:0 0.94
TG O-52:2; TG O-18:1_16:0_18:1 0.93
TG 50:3; TG 14:0_18:1_18:2 0.93
N-Acetylaspartylglutamic acid 0.93
Asparagine 0.92
TG 52:4 (2); TG 16:0_16:0_20:4 0.92
Arginine 0.92
LPE 22:6 0.92
DG 40:7; DG 18:2_22:5 0.91
PE 38:2; PE 18:0_20:2 0.91
PC 40:6; PC 20:2_20:4 0.91
Gln-Leu 0.91
SM 38:4;O2; SM 21:0;O2/17:4 0.9
LPE 22:4 0.9
FA 28:6;O 0.9
Inosine 5'-monophosphate 0.9
CAR 14:2;O 0.9
FA 22:5;O 0.89
TG 41:1; TG 11:0_12:0_18:1 0.88
Urea 0.88
SM 34:2;O2; SM 18:2;O2/16:0 0.87
Glutamic acid 0.87
DG 32:2; DG 14:0_18:2 0.87
Aspartic acid 0.87
PC 33:1; PC 15:0_18:1 0.86
gamma-Glu-Leu 0.86
TG 52:6 (1); TG 16:1_18:2_18:3 0.86
Pro-Ala 0.86
3-Indoxyl sulfate 0.86
TG 46:1; TG 12:0_16:0_18:1 0.85
LPC 18:1/0:0 0.85
FA 14:0 0.85
CAR 16:0 0.84
PE O-38:2 (2); PE O-18:1_20:1 0.84
N,N-Dimethylarginine 0.84
Histamine 0.84
Val-Gln 0.84
Glucuronic acid 0.84
TG 46:3; TG 10:0_18:1_18:2 0.83
Pro-Pro 0.83
PI 38:6 (1); PI 18:2_20:4 0.83
LPC 15:0/0:0 0.83
TG 46:2; TG 12:0_16:0_18:2 0.83
TG 60:4; TG 18:1_24:1_18:2 0.83
N,N-Dimethylvaline 0.82
TG 38:2; TG 10:0_10:0_18:2 0.82
DG 32:0; DG 16:0_16:0 0.82
TG 54:8; TG 14:0_18:2_22:6 0.82
TG 40:3; TG 10:0_12:0_18:3 0.81
Isoleucine 0.81
N-Acetylglucosaminylasparagine 0.8
TG 55:2; TG 18:0_18:1_19:1 0.8
Arachidonoyl coenzyme A 0.8
LPC 20:1/0:0 0.79
LPE 17:0 0.79
Guanosine 0.79
4-Acetamidobutanoic acid 0.78
DG 32:1; DG 14:0_18:1 0.78
HexCer 40:1;O2 0.78
Phosphoenolpyruvic acid 0.77
Val-Glu 0.77
PC 34:0; PC 16:0_18:0 0.77
5-Methyl-2'-deoxycytidine 0.76
TG 56:5; TG 16:0_18:1_22:4 0.76
PG 36:4 (1); PG 18:2_18:2 0.76
2'-Deoxyuridine 5'-monophosphate 0.76
CAR 20:2 0.75
TG 39:0; TG 12:0_13:0_14:0 0.75
Methionine sulfoxide 0.75
PI 36:2; PI 18:0_18:2 0.75
Creatinine 0.75
TG 46:5; TG 10:0_18:2_18:3 0.75
DG 36:3; DG 18:1_18:2 0.75
FA 19:1 0.75
Pro-Asp 0.74
HexCer 36:1;O2 0.74
Glutathione (reduced) 0.74
Ser-Glu 0.74
3'-Dephosphocoenzyme A 0.74
Cer 36:0;O3; Cer 18:0;O3/18:0 0.73
CL 75:8; CL 18:1_18:2_18:2_21:3 0.73
LPG 18:2 0.73
Guanine 0.72
PC 35:1; PC 17:0_18:1 0.72
N-Acetylcarnosine 0.72
Fumaric acid 0.72
TG 45:1; TG 14:0_15:0_16:1 0.72
SM 36:1;O2; SM 18:1;O2/18:0 0.71
FA 22:3 0.71
HexCer 41:1;O2 0.71
PC O-34:1 0.7
Cer 36:2;O2; Cer 18:2;O2/18:0 0.7
PC 36:0; PC 18:0_18:0 0.7
N-Acetylthreonine 0.7
Carnosine 0.7
Dimethylarginine 0.69
PC 39:4; PC 19:0_20:4 0.69
CAR 18:1 0.69
FA 30:1 0.69
PC 33:2; PC 15:0_18:2 0.69
Lactic acid 0.69
N-Acetylarginine 0.68
gamma-Glu-Gln 0.68
Taurine 0.68
N-Acetylaspartic acid 0.68
PC 37:4; PC 17:0_20:4 0.67
PG 36:2; PG 18:1_18:1 0.67
LPC 18:0/0:0 0.67
PE 39:6; PE 17:0_22:6 0.67
PC 40:2 0.66
CAR 20:0 0.66
PE 38:1; PE 18:0_20:1 0.66
Pantothenic acid 0.66
Acetyl-beta-alanine 0.65
Stachydrine (proline betaine) 0.65
PG 44:12; PG 22:6_22:6 0.65
FA 17:1 0.64
TG 52:2; TG 16:0_18:0_18:2 0.64
3-Hydroxybutyric acid 0.64
Gluconic acid 0.63
Cer 34:2;O2; Cer 18:2;O2/16:0 0.63
FA 16:1 0.63
PE O-38:7 (1); PE O-18:3_20:4 0.63
LPE O-18:2 0.62
Cer 42:2;O3; Cer 18:0;O3/24:2 0.62
PS 40:6; PS 18:0_22:6 0.62
FA 23:1 0.62
alpha-Ketoglutaric acid 0.62
TG 46:4 (1); TG 10:0_18:2_18:2 0.62
PC 32:0; PC 16:0_16:0 0.62
TG 49:1; TG 15:0_16:0_18:1 0.61
PG 38:6 (2); PG 16:0_22:6 0.61
DG 36:2; DG 18:0_18:2 0.61
PE O-32:1; PE O-16:1_16:0 0.61
SM 42:3;O2; SM 29:2;O2/13:1 0.61
FA 24:3 0.61
Betaine 0.61
CAR 5:1 0.61
Glutamine 0.61
TG 48:4 (2); TG 12:0_16:0_20:4 0.61
CL 70:5; CL 16:0_18:1_18:2_18:2 0.61
PC 35:2; PC 17:0_18:2 0.6
CE 18:1 0.6
Trimethyllysine 0.6
PEtOH 34:1; PEtOH 16:0_18:1 0.6
Ophthalmic acid 0.6
TG 51:1; TG 16:0_17:0_18:1 0.6
Cer 42:3;O2; Cer 18:2;O2/24:1 0.59
TG 50:4 (1); TG 14:0_18:2_18:2 0.59
Glycero-3-phosphocholine 0.59
LPC 20:0/0:0 0.59
PC O-38:4 (1) 0.59
FA 24:2 0.59
DG 40:8; DG 18:2_22:6 0.58
Cytidine 5'-monophosphate 0.58
Xanthosine 0.58
PC 35:4; PC 15:0_20:4 0.58
FA 18:1 0.58
N-Acetylserine 0.58
Val-Val 0.57
Malonic acid 0.57
Pseudouridine 0.57
PG 35:2; PG 17:0_18:2 0.57
Glycine 0.57
TG 60:11; TG 18:2_20:4_22:5 0.57
TG 46:0; TG 12:0_16:0_18:0 0.57
DG 34:1; DG 16:0_18:1 0.57
Ile-Tyr 0.57
Glycocholic acid 0.56
FA 26:1 0.56
Adenosine 0.56
SM 43:1;O2 0.56
PC 38:2; PC 18:0_20:2 0.56
PC 37:2; PC 19:0_18:2 0.56
PC 31:0; PC 15:0_16:0 0.56
Suberic acid 0.55
LPE O-17:1 0.55
Leucine 0.54
TG 48:3; TG 12:0_18:1_18:2 0.54
PE 40:5; PE 18:0_22:5 0.54
HexCer 34:1;O2; HexCer 18:1;O2/16:0 0.54
PC O-36:0 0.54
PG 36:1; PG 18:0_18:1 0.54
Disaccharide 0.54
SM 33:1;O2; SM 17:1;O2/16:0 0.54
LPC 24:2/0:0 0.53
Cytidine 0.53
PC 44:4 0.53
PE O-34:3; PE O-16:1_18:2 0.53
PC O-37:9 0.53
Glu-Phe 0.53
Serine 0.52
Val-Tyr 0.52
PE O-39:5; PE O-17:1_22:4 0.52
PS 37:4; PS 17:0_20:4 0.52
Tryptamine 0.52
CAR 4:1;O2 0.52
PC 31:1 0.51
Thiamine 0.51
CAR 15:0 0.51
PE O-38:7 (2); PE O-16:1_22:6 0.51
PC 32:2; PC 16:1_16:1 0.51
HexCer 42:1;O2 0.51
TG 57:2; TG 16:0_23:0_18:2 0.51
Ser-Leu 0.51
Pentose X-phosphate 0.51
GM3 34:1;O2 0.5
Genistein-4'-glucuronide 0.5
Ser-Ile 0.5
FA 22:2 0.5
PE 32:1; PE 16:0_16:1 0.5
PG 36:4 (2); PG 16:0_20:4 0.5
NAOrn 19:0;O 0.5
Val-Phe 0.5
TG 45:0; TG 14:0_15:0_16:0 0.5
N-Acetylalanine 0.5
TG 50:1; TG 16:0_16:0_18:1 0.5
Malic acid 0.49
SM 39:1;O2 0.49
TMAO 0.49
Uridine 0.49
TG 47:2; TG 14:0_15:0_18:2 0.48
N-Acetylglucosamine 6-phosphate 0.48
Ornithine 0.48
PE 34:2; PE 16:0_18:2 0.48
PC O-35:8 (1) 0.48
alpha-Aminoadipic acid 0.48
TG 54:2; TG 16:0_18:1_20:1 0.48
Cer 33:1;O2; Cer 17:1;O2/16:0 0.47
Fructose 6-phosphate 0.47
PC 42:4 (2) 0.47
LPC 20:5/0:0 (2) 0.47
LPI 20:4 0.47
PI 32:0; PI 16:0_16:0 0.47
TG 58:3; TG 16:0_24:1_18:2 0.47
PC 36:4 (1); PC 18:2_18:2 0.46
PI 38:6 (2); PI 16:0_22:6 0.46
FAHFA 36:3;O; FAHFA 18:2/18:1;O 0.46
Xanthosine 5'-monophosphate 0.46
Nicotinic acid 0.46
Pyridoxal 0.46
PE 36:2; PE 18:1_18:1 0.45
FA 30:0 0.45
CL 70:7; CL 16:1_18:2_18:2_18:2 0.45
LPE 18:1 0.44
PC 34:2;O2; PC 16:0_18:2;O2 0.44
Ile-Gln 0.44
FA 27:0 0.44
DG 36:1; DG 18:0_18:1 0.44
PC 42:1 0.44
PE 36:1; PE 18:0_18:1 0.44
PC 37:8 0.43
PE O-40:7; PE O-18:1_22:6 0.43
ST 27:1;O;S 0.43
PC O-34:0 0.43
PE 36:6; PE 14:0_22:6 0.43
LPE 24:0 0.43
LPC 18:2/0:0 0.43
Pyruvic acid 0.42
TG 48:4 (1); TG 12:0_18:2_18:2 0.42
CL 76:12; CL 18:2_18:2_18:2_22:6 0.42
CAR 18:0 0.42
Uridine 5-monophosphate 0.42
Lys-Ile 0.42
PC 37:6; PC 15:0_22:6 0.42
TG 48:0; TG 15:0_16:0_17:0 0.42
PC 42:2; PC 24:0_18:2 0.42
CAR 16:1 (1) 0.42
Methionine 0.41
CAR 17:0 0.41
CAR 18:1;O 0.41
PEtOH 36:2; PEtOH 18:0_18:2 0.41
N-Acetylgalactosamine 4-sulfate 0.41
Hypoxanthine 0.41
Kynurenine 0.41
Ala-Ile 0.41
DG 40:6; DG 18:2_22:4 0.41
PE 34:1; PE 16:0_18:1 0.41
LPG 16:0 0.41
SM 38:2;O2; SM 21:0;O2/17:2 0.41
FA 15:1 0.4
PC 38:5; PC 18:1_20:4 0.4
LPE 22:0 0.4
TG 58:10 (2); TG 16:0_20:4_22:6 0.4
Tyrosine 0.4
DG 38:5; DG 16:0_22:5 0.4
PC O-37:10 0.4
DG 38:4; DG 18:0_20:4 0.39
PI 40:7; PI 18:1_22:6 0.39
PE 38:3; PE 18:0_20:3 0.39
4-Guanidinobutyric acid 0.39
TG 54:1; TG 16:0_20:0_18:1 0.39
PE 40:7;O; PE 20:4_20:3;O 0.39
Alanine 0.39
CE 22:6 0.39
SM 34:0;O2 0.39
N,N-Dimethylguanosine 0.39
Thr-Leu 0.39
Cer 40:1;O2; Cer 18:1;O2/22:0 0.39
Creatine 0.38
LPE 22:5 0.38
Sarcosine 0.38
PE O-36:3; PE O-18:2_18:1 0.38
TG 60:10; TG 18:1_20:4_22:5 0.38
TG 47:1; TG 15:0_16:0_16:1 0.38
TG O-50:2; TG O-16:0_16:0_18:2 0.38
Cer 42:2;O2; Cer 18:2;O2/24:0 0.38
PC 42:5; PC 22:1_20:4 0.37
PE 40:4; PE 18:0_22:4 0.37
Vanillin-4-sulfate 0.37
TG 52:8; TG 12:0_20:4_20:4 0.37
PE O-36:5; PE O-16:1_20:4 0.37
LPC 24:1/0:0 0.37
TG 58:2; TG 16:0_18:1_24:1 0.37
Deoxycytidine 0.37
PS 34:2; PS 16:0_18:2 0.37
TG 56:3; TG 20:0_18:1_18:2 0.37
Choline 0.37
CoQ9 0.37
SM 40:4;O2 0.37
N-Acetylmethionine 0.37
Cer 41:0;O3; Cer 18:0;O3/23:0 0.36
DG 36:4 (2); DG 16:0_20:4 0.36
PC O-36:2 0.36
Ala-Val 0.36
CE 18:2 0.36
PEtOH 34:2; PEtOH 16:0_18:2 0.36
Cer 36:1;O2; Cer 18:1;O2/18:0 0.36
Thr-Thr 0.36
Guanosine 5'-monophosphate 0.36
TG 50:4 (2); TG 14:0_16:0_20:4 0.36
DG 38:6; DG 16:0_22:6 0.35
FA 18:0;O 0.35
trans-Crotonobetaine 0.35
PC O-38:6 0.35
Argininosuccinic acid 0.35
N-Acetylputrescine 0.35
Flavin adenine dinucleotide 0.35
PC 32:1; PC 16:0_16:1 0.35
LPE O-16:1 0.35
FA 28:0 0.34
PE 42:7;O; PE 20:4_22:3;O 0.34
FA 24:4 0.34
PC O-37:8 0.34
PS 36:4; PS 16:0_20:4 0.34
TG 50:6 (1); TG 12:0_18:2_20:4 0.34
Cer 38:0;O3; Cer 18:0;O3/20:0 0.34
Allantoin 0.34
PI 38:5; PI 18:1_20:4 0.34
NAE 16:0 0.33
TG 48:2; TG 14:0_16:0_18:2 0.33
CE 20:4 0.33
FA 19:0 0.33
SM 41:1;O2; SM 18:1;O2/23:0 0.33
TG 52:6 (2); TG 14:0_16:0_22:6 0.32
FA 17:0 0.32
N6-Threonylcarbamoyladenosine 0.32
Carnitine 0.32
TG 58:5; TG 18:0_18:1_22:4 0.32
PC 34:3; PC 16:0_18:3 0.32
PS 38:3; PS 18:0_20:3 0.32
LPC 16:0/0:0 0.32
Glucose 1-phosphate 0.32
TG 60:2; TG 16:0_26:0_18:2 0.32
PG 32:1; PG 16:0_16:1 0.32
PG 38:6 (1); PG 18:2_20:4 0.32
PC 34:2; PC 16:0_18:2 0.32
Spermidine 0.31
FA 26:5 0.31
SM 41:2;O2; SM 18:2;O2/23:0 0.31
CAR 5:0 0.31
NAOrn 17:0;O 0.31
Oxalic acid 0.31
Pro-hydroxy-Pro 0.31
Cer 38:1;O2; Cer 18:1;O2/20:0 0.31
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.3
2-Hydroxybutyric acid 0.3
PC 31:2 0.3
SM 42:2;O3 0.3
CAR 4:0 0.3
LPC O-16:0 0.3
Cer 41:1;O2; Cer 18:1;O2/23:0 0.3
TG 48:1; TG 14:0_16:0_18:1 0.3
PE 40:6; PE 18:0_22:6 0.3
PE O-38:5 (2); PE O-18:1_20:4 0.3
Ergothioneine 0.3
TG 56:1; TG 16:0_22:0_18:1 0.29
4-Hydroxyisoleucine 0.29
PI 36:1; PI 18:0_18:1 0.29
PC 40:5; PC 18:0_22:5 0.29
Xanthine 0.29
PI 36:4; PI 16:0_20:4 0.29
Ala-Ala 0.29
Gly-Leu 0.29
CL 92:4; CL 18:0_26:0_28:0_20:4 0.29
Succinic acid 0.28
FA 21:0 0.28
Phenol sulfate 0.27
PC O-34:2 0.27
PS 38:1; PS 20:0_18:1 0.27
Phenylalanine 0.27
Glutaric acid 0.27
LPI 15:0 0.27
PG 38:4; PG 18:0_20:4 0.27
SM 38:1;O2 0.27
Ile-Ser 0.27
SM 34:1;O2; SM 18:1;O2/16:0 0.27
Proline 0.26
Histidine 0.26
CL 74:10; CL 18:2_18:2_18:2_20:4 0.26
SM 42:2;O2; SM 18:1;O2/24:1 0.26
FA 20:1 0.26
3-Hydroxyisobutyric acid 0.26
SM 40:1;O2; SM 18:1;O2/22:0 0.26
TG 62:11; TG 18:2_22:4_22:5 0.26
TG 60:6; TG 18:1_20:1_22:4 0.26
1-Methyluric acid 0.26
PC O-41:11 0.26
1-Methyladenosine 0.26
FA 25:0 0.26
Cysteine-S-sulfate 0.26
Serotonin 0.25
LPG 18:0 0.25
Aconitic acid, trans- 0.25
Cer 41:2;O2; Cer 18:2;O2/23:0 0.25
TG 56:2; TG 16:0_18:1_22:1 0.25
LPE 18:2 0.25
Cer 42:1;O3; Cer 18:0;O3/24:1 0.25
Cer 42:1;O2; Cer 18:1;O2/24:0 0.25
Cytosine 0.25
PC 36:1; PC 18:0_18:1 0.24
Cer 43:1;O2; Cer 18:1;O2/25:0 0.24
FA 16:0;O 0.24
TG 52:1; TG 16:0_18:0_18:1 0.24
PE 34:3; PE 16:1_18:2 0.24
Cer 38:2;O2; Cer 18:2;O2/20:0 0.24
PC O-44:6 0.24
PE O-35:2; PE O-17:1_18:1 0.24
Phenylacetaldehyde 0.24
Cer 44:2;O2; Cer 18:1;O2/26:1 0.24
Ile-Pro-Ile 0.24
PE O-40:5; PE O-18:1_22:4 0.23
LPS 18:0 0.23
Cer 34:0;O3; Cer 18:0;O3/16:0 0.23
CAR 18:2 0.23
Flavine mononucleotide 0.23
CAR 16:1 (2) 0.23
SM 42:1;O2; SM 18:1;O2/24:0 0.23
Cer 44:1;O2; Cer 20:1;O2/24:0 0.23
PG 34:2 (1); PG 16:0_18:2 0.23
S-Adenosylhomocysteine 0.22
PE O-38:5 (1); PE O-16:1_22:4 0.22
FA 16:0 0.22
PE 38:4; PE 18:0_20:4 0.22
LPI 16:0 0.22
PS 40:5; PS 18:0_22:5 0.22
PC 41:1 0.22
FA 14:1 0.21
Orotic acid 0.21
PC O-35:8 (2) 0.21
FA 26:0 0.21
PE O-36:6; PE O-16:1_20:5 0.21
CL 74:7; CL 18:1_18:1_18:2_20:3 0.21
PC O-38:7 0.21
FA 23:0 0.21
FA 20:5 (2) 0.21
Cer 40:0;O3; Cer 18:0;O3/22:0 0.2
LPE 18:0 0.2
FA 15:0 0.2
Glu-Gly-Arg 0.2
PE O-36:2; PE O-18:1_18:1 0.2
PC 38:4; PC 18:0_20:4 0.2
PE O-34:2; PE O-16:1_18:1 0.2
Adenine 0.19
FA 24:0 0.19
PC O-36:4 0.19
Phenylacetylaspartic acid 0.19
Cer 40:2;O2; Cer 18:2;O2/22:0 0.19
NAOrn 27:1;O 0.19
Cer 34:1;O2; Cer 18:1;O2/16:0 0.19
LPI 18:0 0.19
PS 40:1; PS 22:0_18:1 0.19
FA 18:1;O 0.19
LPE 16:0 0.19
Nicotinamide 0.19
FA 24:1 0.19
CAR 3:0 0.18
PC 40:1 0.18
PI 40:5; PI 18:0_22:5 0.18
PE 38:6 (1); PE 18:2_20:4 0.18
PC 34:1; PC 16:0_18:1 0.18
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.18
N-Acetyl-S-benzylcysteine 0.18
Adenosine 3'-monophosphate 0.18
PG 34:2 (2); PG 16:0_18:2 0.18
DG 40:4; DG 18:0_22:4 0.18
PI 38:3; PI 18:0_20:3 0.17
PS 34:1; PS 16:0_18:1 0.17
PE O-40:8; PE O-18:2_22:6 0.17
CL 72:8; CL 18:2_18:2_18:2_18:2 0.17
Val-Asn 0.17
Aconitic acid, cis- 0.17
PG 40:8; PG 18:2_22:6 0.16
NAE 18:0 0.16
Glucose 0.16
PC 36:2; PC 18:1_18:1 0.16
PG 42:10; PG 20:4_22:6 0.16
FA 22:1 0.16
PG 32:0; PG 16:0_16:0 0.16
PE 38:5; PE 18:1_20:4 0.16
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 0.16
LPS 17:0 0.15
PS 36:2; PS 18:0_18:2 0.15
PE O-35:5; PE O-15:1_20:4 0.15
PC 44:5 0.15
PG 36:3; PG 18:1_18:2 0.15
Cer 42:0;O3; Cer 18:0;O3/24:0 0.15
PG 34:1; PG 16:0_18:1 0.15
PI 38:4; PI 18:0_20:4 0.15
PC 36:4 (2); PC 16:0_20:4 0.14
PI 34:2; PI 16:0_18:2 0.14
CL 72:6; CL 18:1_18:1_18:2_18:2 0.14
CAR 20:1 0.14
PC O-38:5 0.14
SM 36:0;O2 0.14
PC 38:3; PC 18:0_20:3 0.14
PC O-38:8 0.14
Tryptophan 0.14
SM 40:2;O2; SM 18:2;O2/22:0 0.13
PC 38:6 (1); PC 18:2_20:4 0.13
Indolelactic acid 0.13
PC O-39:10 0.13
PC 42:4 (1) 0.13
PE O-37:5; PE O-17:1_20:4 0.13
PG 38:5; PG 18:1_20:4 0.13
FA 22:0 0.12
PC 38:6 (2); PC 16:0_22:6 0.12
N-Acetylglutamic acid 0.12
CL 72:7; CL 18:1_18:2_18:2_18:2 0.12
PC 44:8 0.12
PE 38:6 (2); PE 16:0_22:6 0.12
PS 36:1; PS 18:0_18:1 0.12
Piperidine 0.12
LPC 22:1/0:0 0.11
gamma-Glu-Tyr 0.11
S-Succinylcysteine 0.11
FA 20:0 0.11
PE 40:8; PE 18:2_22:6 0.1
FA 13:0 0.1
alpha-Hydroxyglutaric acid 0.1
PC O-38:4 (2) 0.1
FA 18:0 0.1
Tyramine 0.09
Pyridoxal 5-phosphate 0.09
PE 36:4; PE 16:0_20:4 0.09
Model performance: Q2 = 0.987, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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