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PCA
PLS-DA
Analyte VIP score
CAR 22:0 4.4
Daidzein 4'-sulfate 4.22
PG 44:12; PG 22:6_22:6 4.12
LPE 20:1 3.9
Tetrasaccharide 3.84
2'-Deoxyuridine 5'-monophosphate 3.82
Arg-Phe 3.77
Cer 43:1;O3 3.76
DG 30:4; DG 10:0_20:4 3.76
PC O-44:6 3.72
CAR 22:2 3.66
Phenylacetylaspartic acid 3.49
His-Trp 3.48
PC O-38:6 3.45
PC O-30:1 3.42
PC 24:0 2.87
Pipecolic acid 2.77
N-Acetylcitrulline 2.4
N-Acetylcarnosine 2.38
SM 28:1;O2 2.3
FA 20:4;O 2.29
TG 60:11; TG 18:2_20:4_22:5 2.15
Citrulline 2.13
Hippuric acid 2.09
TG 58:11; TG 18:2_20:4_20:5 2.08
TG 60:12; TG 18:2_20:4_22:6 2.07
PC O-38:4 (2) 2.07
FA 22:6;O 2.05
PC O-30:0 2.04
FA 22:5;O 2.03
FA 32:1 2.03
TG 62:11; TG 18:2_22:4_22:5 2.01
TG 54:6 (1); TG 18:2_18:2_18:2 1.91
Ala-Leu 1.88
PC O-38:4 (1) 1.88
CAR 10:0 1.87
TG 56:8 (2); TG 16:0_18:2_22:6 1.87
PC 32:4; PC 12:0_20:4 1.86
CAR 8:0 1.85
Lys-Ile 1.85
PE 34:3; PE 16:1_18:2 1.83
LPC 23:0/0:0 1.79
TG 58:10 (1); TG 18:2_20:4_20:4 1.78
CAR 20:0 1.77
TG 58:8; TG 18:1_18:2_22:5 1.71
Cer 44:0;O3; Cer 20:0;O3/24:0 1.69
TG 52:4 (1); TG 16:1_18:1_18:2 1.69
CAR 6:0 1.69
Hypotaurine 1.64
PC O-36:2 1.64
Cer 43:0;O3; Cer 18:0;O3/25:0 1.64
Xanthosine 5'-monophosphate 1.64
TG 56:8 (1); TG 18:2_18:2_20:4 1.63
TG 42:4; TG 10:0_12:0_20:4 1.62
PC 30:3 1.61
PI 40:5; PI 18:0_22:5 1.59
TG 56:9; TG 18:2_18:3_20:4 1.58
Cer 41:0;O3; Cer 18:0;O3/23:0 1.57
PE 32:1; PE 16:0_16:1 1.56
PC 28:0; PC 14:0_14:0 1.56
CAR 6:0;O (1) 1.53
alpha-Hydroxyglutaric acid 1.53
SM 36:5;O2 1.53
PC O-36:4 1.52
Carnosine 1.52
LPC 24:0/0:0 1.52
TG 60:10; TG 18:1_20:4_22:5 1.52
N-Acetylputrescine 1.51
TG 54:8; TG 14:0_18:2_22:6 1.5
SM 34:2;O2; SM 18:2;O2/16:0 1.5
CAR 12:0 1.5
Val-Tyr 1.5
Glu-Lys 1.48
Cer 42:0;O3; Cer 18:0;O3/24:0 1.47
TG O-50:2; TG O-16:0_16:0_18:2 1.46
Dimethylarginine 1.46
TG 52:3; TG 16:0_18:1_18:2 1.46
4-Acetamidobutanoic acid 1.46
N-Acetylvaline 1.45
Histamine 1.45
Adenylosuccinic acid 1.45
1-Methyluric acid 1.45
PC 30:2; PC 12:0_18:2 1.45
N-Acetylhistamine 1.44
FA 20:2;O 1.43
Aspartic acid 1.43
PG 42:10; PG 20:4_22:6 1.43
PI 30:0; PI 14:0_16:0 1.42
TG 54:3; TG 18:0_18:1_18:2 1.41
N-gamma-Glu-Leu 1.4
TG 54:6 (2); TG 16:0_18:2_20:4 1.4
SM 32:1;O2; SM 16:1;O2/16:0 1.39
3-Hydroxybutyric acid 1.39
TG 50:4 (1); TG 14:0_18:2_18:2 1.39
TG 58:5; TG 18:0_18:1_22:4 1.39
LPC 22:0/0:0 1.39
CAR 10:1 1.38
PE 38:2; PE 18:0_20:2 1.34
TG 54:7; TG 16:0_18:2_20:5 1.34
CAR 5:0 1.34
CAR 16:2 1.33
N-Acetylarginine 1.32
Fructose 6-phosphate 1.32
Succinic acid 1.32
PG 40:8; PG 18:2_22:6 1.32
PC 29:0 1.31
PC O-38:5 1.31
Ornithine 1.29
2-Hydroxybutyric acid 1.29
PC O-34:2 1.29
beta-Nicotinamide adenine dinucleotide 1.28
CL 70:7; CL 16:1_18:2_18:2_18:2 1.28
Malonic acid 1.28
Citric acid 1.28
LPC 16:1/0:0 1.28
DG 40:8; DG 18:2_22:6 1.27
Thymine 1.27
PE 38:1; PE 18:0_20:1 1.27
TG 54:5; TG 16:0_18:1_20:4 1.27
TG 50:3; TG 14:0_18:1_18:2 1.27
TG O-52:2; TG O-18:1_16:0_18:1 1.27
CAR 14:1 1.27
Argininosuccinic acid 1.27
Thymidine 1.26
TG 52:2; TG 16:0_18:0_18:2 1.26
PE O-38:2 (1); PE O-20:0_18:2 1.26
GM3 34:1;O2 1.25
TG 50:2; TG 16:0_16:0_18:2 1.24
Ectoine 1.24
PC 42:4 (2) 1.23
Urocanic acid 1.23
CAR 20:1 1.23
TG 38:4; TG 8:0_10:0_20:4 1.22
TG 56:5; TG 16:0_18:1_22:4 1.22
TG 56:3; TG 20:0_18:1_18:2 1.22
TG 52:8; TG 12:0_20:4_20:4 1.22
TG 60:6; TG 18:1_20:1_22:4 1.21
Urea 1.21
TG 51:4; TG 15:0_18:2_18:2 1.21
PG 36:4 (2); PG 16:0_20:4 1.2
TG 52:4 (2); TG 16:0_16:0_20:4 1.2
3-Hydroxyisobutyric acid 1.2
PC 34:4; PC 14:0_20:4 1.2
gamma-Glu-Tyr 1.2
LPE 24:0 1.19
TG 51:3; TG 15:0_18:1_18:2 1.19
CAR 4:0;O 1.19
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 1.19
Arginine 1.18
N,N-Dimethylarginine 1.18
FA 30:0 1.16
PC 40:2 1.16
Orotic acid 1.16
TG 44:4 (2); TG 12:0_14:0_18:4 1.16
CAR 4:0 1.15
PC 42:2; PC 24:0_18:2 1.15
LPE 22:0 1.15
4-Guanidinobutyric acid 1.14
Pseudouridine 1.14
PI 40:7; PI 18:1_22:6 1.14
gamma-Glu-Gln 1.14
CAR 14:0 1.13
Malic acid 1.12
Adenosine 5'-diphosphoribose 1.12
TG 50:1; TG 16:0_16:0_18:1 1.12
FA 30:1 1.12
TG 54:2; TG 16:0_18:1_20:1 1.11
DG 40:7; DG 18:2_22:5 1.11
S-Succinylcysteine 1.11
N-epsilon-Methyllysine 1.11
FA 18:1;O 1.11
Glucuronic acid 1.11
LPC 22:4/0:0 1.1
FA 18:4 1.1
Indolelactic acid 1.1
NAOrn 17:0;O 1.09
Pro-hydroxy-Pro 1.09
N-Acetylglutamic acid 1.09
3'-Dephosphocoenzyme A 1.08
TG 48:6 (2); TG 10:0_16:0_22:6 1.07
FA 21:4 1.07
Uridine 5-monophosphate 1.06
Xanthosine 1.06
Aconitic acid, trans- 1.06
Allantoin 1.05
TG 48:4 (1); TG 12:0_18:2_18:2 1.05
DG 38:4; DG 18:0_20:4 1.04
TG 53:3; TG 17:0_18:1_18:2 1.04
SM 36:2;O2; SM 18:1;O2/18:1 1.03
N6-Threonylcarbamoyladenosine 1.03
Cer 38:0;O3; Cer 18:0;O3/20:0 1.03
PMeOH 34:1; PMeOH 16:0_18:1 1.03
Cer 40:0;O3; Cer 18:0;O3/22:0 1.03
DG 40:6; DG 18:2_22:4 1.03
LPC 20:5/0:0 (1) 1.02
Arg-Pro 1.02
Ile-Asp 1.02
LPE 20:2 1.01
N-Acetylserine 1.01
FA 22:5 (2) 1.01
PC 38:4; PC 18:0_20:4 1.0
LPC 24:1/0:0 1.0
PC 30:0; PC 14:0_16:0 1.0
CAR 16:1 (1) 1.0
PC 32:1; PC 16:0_16:1 1.0
CAR 3:0 1.0
N6-Succinyladenosine 1.0
LPG 18:0 0.99
Anserine 0.99
TG 58:10 (2); TG 16:0_20:4_22:6 0.99
Cer 42:3;O2; Cer 18:2;O2/24:1 0.98
Acetylcholine 0.98
5-Aminovaleric acid betaine 0.98
TG 37:0; TG 10:0_12:0_15:0 0.97
Cytidine 5'-monophosphate 0.97
4-Pyridoxic acid 0.97
TG 52:6 (1); TG 16:1_18:2_18:3 0.97
TG 41:0; TG 10:0_15:0_16:0 0.97
Pantothenic acid 0.96
DG 36:5; DG 18:2_18:3 0.96
Serine 0.95
PE O-36:6; PE O-16:1_20:5 0.95
Adenosine 0.95
SM 33:1;O2; SM 17:1;O2/16:0 0.94
Threonine 0.94
PC 37:4; PC 17:0_20:4 0.94
TG 39:0; TG 12:0_13:0_14:0 0.94
N,N-Dimethylvaline 0.93
Ala-Ala 0.93
PC 31:2 0.92
PE 40:8; PE 18:2_22:6 0.92
PC O-34:0 0.92
Creatinine 0.92
4-Hydroxyisoleucine 0.92
N-Acetylthreonine 0.92
Fumaric acid 0.92
CAR 18:0 0.92
CAR 15:0 0.92
S-Lactoylglutathione 0.91
Ile-Pro-Ile 0.9
Pro-Ala 0.9
PE 34:1; PE 16:0_18:1 0.9
TG 52:1; TG 16:0_18:0_18:1 0.9
PS 38:1; PS 20:0_18:1 0.9
gamma-Glu-Leu 0.9
PE 34:4; PE 14:0_20:4 0.89
Pro-Asp 0.89
LPC O-16:0 0.89
Proline 0.89
PG 38:6 (1); PG 18:2_20:4 0.89
CAR 17:0 0.89
PC 35:4; PC 15:0_20:4 0.89
PC O-38:8 0.89
PI 38:3; PI 18:0_20:3 0.89
PC 32:2; PC 16:1_16:1 0.88
TG 38:0; TG 10:0_12:0_16:0 0.88
TG 53:6; TG 15:0_18:2_20:4 0.88
TG 35:0; TG 10:0_12:0_13:0 0.88
PC O-39:10 0.87
Glutamine 0.87
Val-Asp 0.87
TG 48:2; TG 14:0_16:0_18:2 0.87
TG 55:2; TG 18:0_18:1_19:1 0.87
PC 39:4; PC 19:0_20:4 0.86
Cer 36:1;O2; Cer 18:1;O2/18:0 0.86
Glutaric acid 0.86
PE O-38:7 (1); PE O-18:3_20:4 0.86
PC 40:6; PC 20:2_20:4 0.85
PG 38:4; PG 18:0_20:4 0.85
PS 36:4; PS 16:0_20:4 0.85
Ergothioneine 0.85
Tryptophan 0.85
TG 40:0; TG 10:0_14:0_16:0 0.84
SM 34:1;O2; SM 18:1;O2/16:0 0.84
Cer 46:1;O3; Cer 20:0;O3/26:1 0.84
DLCL 36:4; DLCL 18:2_18:2 0.83
LPC 20:4/0:0 (1) 0.83
Cer 34:1;O2; Cer 18:1;O2/16:0 0.83
TG 30:0; TG 8:0_10:0_12:0 0.83
FA 20:4;O2 0.83
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.82
PC 44:8 0.82
N,N-Dimethylguanosine 0.81
Kynurenine 0.81
Inosine 5'-monophosphate 0.81
Gly-Glu 0.81
TG 56:2; TG 16:0_18:1_22:1 0.81
PC 38:2; PC 18:0_20:2 0.81
TG 36:0; TG 10:0_12:0_14:0 0.8
CL 75:8; CL 18:1_18:2_18:2_21:3 0.8
TG 50:4 (2); TG 14:0_16:0_20:4 0.8
FAHFA 36:3;O; FAHFA 18:2/18:1;O 0.8
PC 38:6 (1); PC 18:2_20:4 0.8
Pentose X-phosphate 0.79
Val-Gln 0.79
CAR 5:1 0.78
Pyridoxal 5-phosphate 0.78
DG 36:4 (1); DG 18:2_18:2 0.78
PMeOH 34:2; PMeOH 16:0_18:2 0.78
LPC 14:0/0:0 0.78
Cer 41:2;O2; Cer 18:2;O2/23:0 0.78
Carnitine 0.78
Guanine 0.78
Leu-Ile 0.77
Histidine 0.77
gamma-Glu-Glu 0.77
CL 70:5; CL 16:0_18:1_18:2_18:2 0.77
PI 34:2; PI 16:0_18:2 0.77
TG 48:3; TG 12:0_18:1_18:2 0.77
PE O-32:1; PE O-16:1_16:0 0.77
CL 74:7; CL 18:1_18:1_18:2_20:3 0.77
LPC 20:2/0:0 0.76
PE O-35:5; PE O-15:1_20:4 0.76
TG 53:2; TG 17:0_18:1_18:1 0.76
Glucose 0.76
PG 36:4 (1); PG 18:2_18:2 0.76
NAE 16:0 0.75
Gluconic acid 0.75
Lysine 0.75
TG 60:4; TG 18:1_24:1_18:2 0.75
PC O-37:8 0.75
N-Acetylhistidine 0.75
PE O-36:5; PE O-16:1_20:4 0.75
Cer 44:2;O2; Cer 18:1;O2/26:1 0.75
PE O-38:2 (2); PE O-18:1_20:1 0.74
PC O-35:8 (1) 0.74
Cysteic acid 0.74
TG 48:1; TG 14:0_16:0_18:1 0.74
TG 41:1; TG 11:0_12:0_18:1 0.74
PC O-34:1 0.74
PI 38:6 (2); PI 16:0_22:6 0.73
Pro-Pro 0.73
PG 32:0; PG 16:0_16:0 0.73
TG 51:2; TG 16:0_17:1_18:1 0.73
FA 16:1 0.73
Glutathione (oxidized) 0.73
PE 40:7;O; PE 20:4_20:3;O 0.73
CL 72:7; CL 18:1_18:2_18:2_18:2 0.72
PE 42:7;O; PE 20:4_22:3;O 0.72
FA 18:0;O 0.72
Val-Val 0.71
LPE 19:0 0.71
FA 20:5 (1) 0.71
TG 42:3; TG 10:0_14:0_18:3 0.71
LPE 18:1 0.71
PE 36:1; PE 18:0_18:1 0.71
Glu-Gln 0.71
Val-Glu 0.71
PC 44:4 0.71
TG 50:6 (2); TG 12:0_16:0_22:6 0.71
TG 50:8; TG 10:0_18:2_22:6 0.7
Gln-Leu 0.7
Ser-Glu 0.7
TG 46:4 (2); TG 10:0_16:0_20:4 0.7
CAR 20:2 0.7
FA 13:0 0.69
FA 22:5 (1) 0.69
TG 34:0; TG 10:0_12:0_12:0 0.69
FA 22:6 0.69
Leu-Thr 0.69
TG 41:2; TG 11:0_12:0_18:2 0.69
LPI 16:0 0.69
NAE 18:0 0.68
PE 40:4; PE 18:0_22:4 0.68
N-Acetyl-S-benzylcysteine 0.67
FA 23:1 0.67
Glycocholic acid 0.66
TG 43:2; TG 10:0_15:0_18:2 0.66
DG 32:0; DG 16:0_16:0 0.65
LPE 22:4 0.65
FA 26:6 0.65
Ophthalmic acid 0.65
TG 36:2; TG 8:0_10:0_18:2 0.65
N-Acetylmethionine 0.65
alpha-Ketoglutaric acid 0.65
TG 54:1; TG 16:0_20:0_18:1 0.65
Cer 42:1;O3; Cer 18:0;O3/24:1 0.65
Glucose 1-phosphate 0.64
PC 44:5 0.64
PC 42:1 0.64
Arachidonoyl coenzyme A 0.64
PC 41:1 0.63
TG 43:1; TG 10:0_15:0_18:1 0.63
Adenosine 3'-monophosphate 0.63
Cer 34:0;O3; Cer 18:0;O3/16:0 0.63
TG 43:0; TG 10:0_16:0_17:0 0.63
Trimethyllysine 0.63
TG 42:0; TG 12:0_14:0_16:0 0.63
N-Acetylaspartic acid 0.63
HexCer 40:1;O2 0.63
PE 37:2; PE 19:0_18:2 0.62
PS 40:1; PS 22:0_18:1 0.62
Cytidine 5'-monophospho-N-acetylneuraminic acid 0.62
Alanine 0.62
Linoleoyl coenzyme A 0.62
PC 34:2;O2; PC 16:0_18:2;O2 0.62
PC 36:4 (2); PC 16:0_20:4 0.62
Ile-Tyr 0.61
PI 36:2; PI 18:0_18:2 0.61
Val-Ile 0.61
N1-Acetylspermidine 0.61
CL 72:6; CL 18:1_18:1_18:2_18:2 0.6
Acetyl-beta-alanine 0.6
TG 52:6 (2); TG 14:0_16:0_22:6 0.6
TG 40:1; TG 10:0_12:0_18:1 0.6
alpha-Aminoadipic acid 0.6
PS 36:2; PS 18:0_18:2 0.6
PE 40:6; PE 18:0_22:6 0.6
TG 58:3; TG 16:0_24:1_18:2 0.59
N-Acetylalanine 0.58
FA 24:0;O 0.58
PE 38:5; PE 18:1_20:4 0.58
Trisaccharide 0.58
Guanosine 0.58
PE 40:5; PE 18:0_22:5 0.58
5'-S-Methyl-5'-thioadenosine 0.58
DG 34:3; DG 16:1_18:2 0.57
1-Methylhistidine 0.57
PC 31:1 0.57
Phosphoenolpyruvic acid 0.57
PE 36:4; PE 16:0_20:4 0.57
PC 35:2; PC 17:0_18:2 0.57
FA 18:3 0.56
Tyrosine 0.56
Cer 38:1;O2; Cer 18:1;O2/20:0 0.56
TG 32:0; TG 8:0_10:0_14:0 0.56
TG 50:6 (1); TG 12:0_18:2_20:4 0.56
FA 27:0 0.56
FA 16:0 0.56
TG 38:2; TG 10:0_10:0_18:2 0.55
PE O-38:5 (2); PE O-18:1_20:4 0.55
Ala-Ile 0.55
Allothreonine 0.55
TG 42:1; TG 8:0_16:0_18:1 0.55
LPG 16:0 0.55
LPC 18:1/0:0 0.55
FA 24:1 0.54
Pyruvic acid 0.54
SM 34:0;O2 0.54
DG 36:3; DG 18:1_18:2 0.54
Cer 30:1;O2; Cer 18:1;O2/12:0 0.54
Sucrose 0.54
Phenylalanine 0.54
FA 22:4 0.54
Cytosine 0.54
Taurine 0.54
FA 24:3 0.54
Uric acid 0.53
FA 22:1 0.53
Uridine diphosphate glucuronic acid 0.53
PE O-40:5; PE O-18:1_22:4 0.53
TG 40:2; TG 10:0_12:0_18:2 0.53
FA 25:1 0.52
PC 34:2;O; PC 16:0_18:2;O 0.52
PE 38:4; PE 18:0_20:4 0.52
FA 20:2 0.52
Cer 40:2;O2; Cer 18:2;O2/22:0 0.52
DG 28:3; DG 10:0_18:3 0.52
Creatine 0.51
Sarcosine 0.51
FA 20:5 (2) 0.51
LPS 17:0 0.5
CAR 20:3 0.5
N-Acetylglucosamine 6-phosphate 0.5
Glutathione (reduced) 0.5
Ala-Val 0.5
3-Indoxyl sulfate 0.5
TG 46:4 (1); TG 10:0_18:2_18:2 0.5
PI 36:1; PI 18:0_18:1 0.5
Cer 33:1;O2; Cer 17:1;O2/16:0 0.5
PG 36:1; PG 18:0_18:1 0.5
CAR 18:3 0.5
PC 33:1; PC 15:0_18:1 0.5
HexCer 42:1;O2 0.5
PE O-39:5; PE O-17:1_22:4 0.5
PC 38:6 (2); PC 16:0_22:6 0.5
CAR 18:1 0.49
TG 38:3; TG 8:0_12:0_18:3 0.49
N-Acetylgalactosamine 4-sulfate 0.49
PC 36:2; PC 18:1_18:1 0.49
PI 38:6 (1); PI 18:2_20:4 0.49
LPI 20:4 0.49
1-Methyladenosine 0.49
LPE 20:4 0.49
PE 36:6; PE 14:0_22:6 0.48
FA 17:1 0.48
CAR 14:2;O 0.48
TG 60:2; TG 16:0_26:0_18:2 0.48
Nicotinamide 0.48
CAR 2:0 0.48
TG 45:0; TG 14:0_15:0_16:0 0.48
Methionine sulfoxide 0.48
FA 20:1 0.47
Asparagine 0.47
Suberic acid 0.47
CAR 8:0;O 0.47
TMAO 0.47
PE O-37:5; PE O-17:1_20:4 0.47
PE 38:3; PE 18:0_20:3 0.46
Methionine 0.46
FA 19:0 0.46
DG 36:4 (2); DG 16:0_20:4 0.46
Biopterin 0.46
TG 45:2; TG 12:0_15:0_18:2 0.46
PG 36:2; PG 18:1_18:1 0.46
PE O-36:2; PE O-18:1_18:1 0.45
Cer 40:1;O2; Cer 18:1;O2/22:0 0.45
NAOrn 19:0;O 0.45
Ile-Ser 0.45
Serotonin 0.45
FA 24:4 0.45
CAR 18:2 0.45
FA 17:2 0.45
FA 25:0 0.44
TG 48:6 (1); TG 10:0_18:2_20:4 0.44
Val-Leu 0.44
PS 34:2; PS 16:0_18:2 0.44
Glutamic acid 0.44
Cer 38:2;O2; Cer 18:2;O2/20:0 0.44
PS 40:5; PS 18:0_22:5 0.44
LPE O-17:1 0.43
TG 49:1; TG 15:0_16:0_18:1 0.43
LPC 20:4/0:0 (2) 0.43
N-Acetylornithine 0.43
TG 40:3; TG 10:0_12:0_18:3 0.43
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.42
PE O-36:3; PE O-18:2_18:1 0.42
Deoxycytidine 0.42
LPS 18:0 0.42
LPC 22:1/0:0 0.42
CAR 10:0;O 0.42
FA 24:2 0.42
PG 34:2 (1); PG 16:0_18:2 0.42
Riboflavin 0.42
FA 18:2 0.41
Cytidine 0.41
FA 24:0 0.41
Glycine 0.41
SM 39:1;O2 0.41
N-Acetylneuraminate 0.4
TG 38:1; TG 10:0_12:0_16:1 0.4
TG 44:3; TG 8:0_18:1_18:2 0.4
PC 38:3; PC 18:0_20:3 0.4
SM 38:2;O2; SM 21:0;O2/17:2 0.4
CL 76:12; CL 18:2_18:2_18:2_22:6 0.4
TG 42:2; TG 10:0_14:0_18:2 0.4
PC 34:1; PC 16:0_18:1 0.4
PE 36:2; PE 18:1_18:1 0.39
FA 18:1 0.39
HexCer 41:1;O2 0.39
TG 51:1; TG 16:0_17:0_18:1 0.39
Disaccharide 0.39
FA 24:5 0.39
PC 36:0; PC 18:0_18:0 0.39
Oxalic acid 0.39
PE O-40:8; PE O-18:2_22:6 0.39
TG 36:1; TG 8:0_10:0_18:1 0.39
NAOrn 27:1;O 0.38
TG 44:4 (1); TG 8:0_18:2_18:2 0.38
Flavine mononucleotide 0.38
PC 36:6; PC 14:0_22:6 0.38
Hypoxanthine 0.38
Cer 34:2;O2; Cer 18:2;O2/16:0 0.38
Piperidine 0.38
PE O-34:2; PE O-16:1_18:1 0.38
PE O-35:2; PE O-17:1_18:1 0.38
FA 19:1 0.38
PI 32:0; PI 16:0_16:0 0.37
LPI 18:0 0.37
FA 26:0 0.37
TG 46:2; TG 12:0_16:0_18:2 0.37
DG 32:1; DG 14:0_18:1 0.37
TG 44:0; TG 10:0_16:0_18:0 0.37
FA 26:5 0.37
FA 21:3 0.36
Cysteine-S-sulfate 0.36
DG 34:1; DG 16:0_18:1 0.36
CAR 4:1;O2 0.36
PG 32:1; PG 16:0_16:1 0.36
LPC 20:5/0:0 (2) 0.36
PE 31:0; PE 15:0_16:0 0.36
LPE 22:6 0.36
FA 21:1 0.36
S-Adenosylhomocysteine 0.35
PC O-37:10 0.35
PC 31:0; PC 15:0_16:0 0.35
TG 45:3; TG 10:0_17:1_18:2 0.35
CL 72:8; CL 18:2_18:2_18:2_18:2 0.35
FA 14:1 0.35
CAR 6:0;O (2) 0.35
PE O-34:3; PE O-16:1_18:2 0.35
FA 22:0 0.35
LPC 18:2/0:0 0.35
TG 57:2; TG 16:0_23:0_18:2 0.35
FA 22:2 0.34
TG 46:3; TG 10:0_18:1_18:2 0.34
Cer 41:1;O2; Cer 18:1;O2/23:0 0.34
Inosine 0.34
PC O-36:0 0.34
FA 16:2 0.34
LPE O-18:2 0.34
gamma-Glu-Cys 0.34
FA 21:0 0.33
Vanillin-4-sulfate 0.33
PC 33:2; PC 15:0_18:2 0.33
LPE 22:5 0.33
Val-Asn 0.33
PC 37:2; PC 19:0_18:2 0.32
FA 18:0 0.32
PC 36:1; PC 18:0_18:1 0.32
FA 15:1 0.32
Cer 36:2;O2; Cer 18:2;O2/18:0 0.32
N-Acetylphenylalanine 0.32
TG 58:2; TG 16:0_18:1_24:1 0.32
TG 44:1; TG 12:0_14:0_18:1 0.32
DG 30:0; DG 14:0_16:0 0.32
PS 34:1; PS 16:0_18:1 0.31
FA 14:0 0.31
SM 41:1;O2; SM 18:1;O2/23:0 0.31
CAR 12:0;O 0.31
PE O-38:7 (2); PE O-16:1_22:6 0.31
Ile-Gln 0.31
Isocitric acid 0.31
FA 17:0 0.31
Nicotinic acid 0.3
PE 34:2; PE 16:0_18:2 0.3
PE 38:6 (2); PE 16:0_22:6 0.3
PC 40:1 0.3
LPC 20:3/0:0 0.3
DG 30:3; DG 12:0_18:3 0.3
FA 19:2 0.3
FA 20:0 0.3
CoQ8 0.3
Xanthine 0.3
Trigonelline 0.3
PS 40:6; PS 18:0_22:6 0.29
PE O-40:7; PE O-18:1_22:6 0.29
Thiamine 0.29
Gly-Leu 0.29
SM 36:1;O2; SM 18:1;O2/18:0 0.29
PEtOH 36:2; PEtOH 18:0_18:2 0.29
LPC 24:2/0:0 0.29
PG 36:3; PG 18:1_18:2 0.29
DG 32:2; DG 14:0_18:2 0.29
Glycero-3-phosphocholine 0.29
Lactic acid 0.29
TG 45:1; TG 14:0_15:0_16:1 0.29
Choline 0.28
CAR 18:1;O 0.28
Ile-Phe 0.28
PS 36:1; PS 18:0_18:1 0.28
SM 42:2;O2; SM 18:1;O2/24:1 0.28
PEtOH 34:2; PEtOH 16:0_18:2 0.28
DG 28:2; DG 10:0_18:2 0.28
FA 22:3 0.28
Thr-Thr 0.28
PC O-35:8 (2) 0.28
LPE 16:0 0.28
CL 74:10; CL 18:2_18:2_18:2_20:4 0.28
Isoleucine 0.28
TG 50:7; TG 10:0_18:2_22:5 0.28
TG 44:2; TG 10:0_16:0_18:2 0.28
FA 24:6 0.27
PI 36:4; PI 16:0_20:4 0.27
PG 34:2 (2); PG 16:0_18:2 0.27
N-Acetylleucine 0.27
SM 38:1;O2 0.27
DG 28:1; DG 10:0_18:1 0.27
TG 46:1; TG 12:0_16:0_18:1 0.27
trans-Crotonobetaine 0.27
FA 20:3 0.27
FA 26:2 0.27
LPC 22:6/0:0 0.27
SM 40:4;O2 0.27
CAR 14:0;O 0.27
PG 38:5; PG 18:1_20:4 0.27
DG 36:2; DG 18:0_18:2 0.27
LPC 20:1/0:0 0.27
Uridine 5'-diphosphoacetylglucosamine 0.26
PC 40:5; PC 18:0_22:5 0.26
Cer 42:2;O2; Cer 18:2;O2/24:0 0.26
Uridine 0.26
Flavin adenine dinucleotide 0.26
TG 46:5; TG 10:0_18:2_18:3 0.26
SM 36:0;O2 0.26
Cytidine 5'-diphosphate ethanolamine 0.26
CAR 16:1 (2) 0.26
PG 30:0; PG 14:0_16:0 0.26
PI 38:5; PI 18:1_20:4 0.26
LPE 18:2 0.26
Adenine 0.26
LPG 18:2 0.26
Guanosine 5'-monophosphate 0.26
LPE 18:0 0.25
DG 38:6; DG 16:0_22:6 0.25
Cer 42:2;O3; Cer 18:0;O3/24:2 0.25
Phenol sulfate 0.25
SM 38:4;O2; SM 21:0;O2/17:4 0.25
Val-Phe 0.25
Genistein-4'-glucuronide 0.25
DG 38:5; DG 16:0_22:5 0.25
PS 37:4; PS 17:0_20:4 0.25
LPC 20:0/0:0 0.25
FA 20:4 0.24
NAGly 31:1;O2; NAGly 16:0;O(FA 15:0) 0.24
CoQ9 0.24
FA 23:0 0.24
TG 47:3; TG 12:0_17:1_18:2 0.24
SM 42:3;O2; SM 29:2;O2/13:1 0.24
TG 48:4 (2); TG 12:0_16:0_20:4 0.24
Cer 44:1;O2; Cer 20:1;O2/24:0 0.24
FA 28:0 0.24
FA 26:1 0.24
LPC 19:0/0:0 0.24
DG 30:1; DG 12:0_18:1 0.24
SM 40:2;O2; SM 18:2;O2/22:0 0.23
PG 35:2; PG 17:0_18:2 0.23
Pyridoxal 0.23
LPC 22:5/0:0 0.23
PG 34:1; PG 16:0_18:1 0.23
LPC 18:0/0:0 0.22
PC 37:6; PC 15:0_22:6 0.22
5-Methyl-2'-deoxycytidine 0.22
PC 38:5; PC 18:1_20:4 0.22
DG 34:4; DG 14:0_20:4 0.22
Ser-Ile 0.22
PEtOH 34:1; PEtOH 16:0_18:1 0.22
CE 20:4 0.22
CAR 16:0 0.22
PE 39:6; PE 17:0_22:6 0.22
DG 36:1; DG 18:0_18:1 0.21
Leucine 0.21
Cytidine 5'-diphosphocholine 0.21
PC 33:0; PC 16:0_17:0 0.21
SM 41:2;O2; SM 18:2;O2/23:0 0.21
N-Acetylglucosaminylasparagine 0.2
ST 27:1;O;S 0.2
Ser-Leu 0.2
Tyramine 0.2
SM 43:1;O2 0.2
DG 40:4; DG 18:0_22:4 0.2
N-Acetylaspartylglutamic acid 0.2
PC 35:1; PC 17:0_18:1 0.2
LPI 15:0 0.2
CAR 20:4 0.2
SM 40:1;O2; SM 18:1;O2/22:0 0.19
PC 42:5; PC 22:1_20:4 0.19
PC 32:0; PC 16:0_16:0 0.19
FA 15:0 0.19
PC O-37:9 0.19
Cer 43:1;O2; Cer 18:1;O2/25:0 0.19
Uridine diphosphate glucose 0.19
PC 36:4 (1); PC 18:2_18:2 0.19
PC 30:1; PC 14:0_16:1 0.19
PE O-38:5 (1); PE O-16:1_22:4 0.18
PC 42:4 (1) 0.18
PG 38:6 (2); PG 16:0_22:6 0.18
Aconitic acid, cis- 0.18
Thr-Leu 0.18
TG 47:1; TG 15:0_16:0_16:1 0.18
LPC 18:3/0:0 0.18
TG 46:0; TG 12:0_16:0_18:0 0.17
Spermidine 0.17
LPC 16:0/0:0 0.17
LPE 17:0 0.17
LPE O-16:1 0.17
SM 42:1;O2; SM 18:1;O2/24:0 0.17
PI 38:4; PI 18:0_20:4 0.17
FA 16:0;O 0.17
PC 34:0; PC 16:0_18:0 0.16
TG 56:1; TG 16:0_22:0_18:1 0.16
LPC 15:0/0:0 0.16
PS 38:3; PS 18:0_20:3 0.16
Cer 42:1;O2; Cer 18:1;O2/24:0 0.15
PC 34:3; PC 16:0_18:3 0.15
TG 48:0; TG 15:0_16:0_17:0 0.15
PC 34:2; PC 16:0_18:2 0.15
Cer 32:1;O2; Cer 18:1;O2/14:0 0.15
Stachydrine (proline betaine) 0.14
TG 47:2; TG 14:0_15:0_18:2 0.14
Cysteine-glutathione disulfide 0.14
PE 38:6 (1); PE 18:2_20:4 0.13
TG 47:4; TG 11:0_18:2_18:2 0.13
NAE 18:2 0.13
LPC 17:0/0:0 0.12
PC 37:8 0.12
Betaine 0.12
Phenylacetaldehyde 0.12
PE 39:4; PE 19:0_20:4 0.11
PC O-41:11 0.11
Model performance: Q2 = 0.979, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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