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PCA
PLS-DA
Analyte VIP score
FAHFA 25:0;O; FAHFA 3:0/22:0;O 4.24
DLCL 36:4; DLCL 18:2_18:2 3.95
PC 31:2 3.94
FAHFA 27:0;O; FAHFA 3:0/24:0;O 3.89
FAHFA 24:0;O; FAHFA 4:0/20:0;O 3.85
PC 24:0 3.84
Glu-Gln 3.7
DG 30:0; DG 14:0_16:0 3.66
Ophthalmic acid 3.56
DG 32:2; DG 14:0_18:2 3.55
Cytidine 3'-monophosphate 3.51
TG 30:0; TG 8:0_10:0_12:0 3.46
LPC 20:5/0:0 (1) 3.43
PC O-44:6 3.4
Cer 46:0;O3; Cer 20:0;O3/26:0 3.31
FAHFA 26:0;O; FAHFA 2:0/24:0;O 3.27
Daidzein 3.15
PC O-30:1 3.12
CAR 12:0 2.45
Pipecolic acid 2.31
CAR 6:0 2.16
Cysteine-S-sulfate 2.16
CAR 10:0 2.16
N-Acetylaspartylglutamic acid 2.12
Citrulline 2.11
CAR 8:0 2.09
PC 30:3 2.05
gamma-Glu-Cys 1.99
CAR 10:1 1.97
PC 30:2; PC 12:0_18:2 1.94
FA 20:2;O 1.92
CAR 22:0 1.92
FA 17:2 1.91
CE 22:6 1.88
Pro-Asp 1.87
CAR 12:0;O 1.86
PC 28:0; PC 14:0_14:0 1.86
PC 32:4; PC 12:0_20:4 1.85
Uric acid 1.85
FA 21:4 1.85
FA 21:3 1.82
CAR 14:0 1.81
Ile-Phe 1.81
Spermidine 1.79
FA 20:4;O 1.78
SM 28:1;O2 1.77
CAR 4:0 1.75
FA 22:5;O 1.74
DG 34:4; DG 14:0_20:4 1.73
CAR 14:0;O 1.73
Leu-Thr 1.71
PC 34:2;O; PC 16:0_18:2;O 1.69
Ile-Gln 1.69
Val-Val 1.68
FA 18:4 1.68
CAR 20:0 1.67
CAR 8:0;O 1.66
Xanthosine 1.65
Disaccharide 1.64
Glycero-3-phosphocholine 1.64
Gly-Glu 1.62
FA 20:5 (1) 1.62
Val-Asn 1.62
Riboflavin 1.62
Val-Phe 1.6
LPC 18:3/0:0 1.58
Gln-Leu 1.57
PE 34:4; PE 14:0_20:4 1.53
PC 31:1 1.52
CAR 6:0;O (2) 1.49
2'-Deoxyuridine 5'-monophosphate 1.49
Ala-Val 1.48
FA 16:2 1.48
PC 36:6; PC 14:0_22:6 1.48
FA 22:6;O 1.45
2-Hydroxybutyric acid 1.45
Urea 1.44
Leu-Ile 1.44
N-Acetylvaline 1.43
PC 32:2; PC 16:1_16:1 1.42
PC 34:4; PC 14:0_20:4 1.4
CL 92:4; CL 18:0_26:0_28:0_20:4 1.4
N-Acetylhistamine 1.39
Val-Gln 1.39
CAR 4:0;O 1.38
Xanthosine 5'-monophosphate 1.36
CAR 6:0;O (1) 1.36
N-Acetylaspartic acid 1.35
Glutaric acid 1.35
CAR 2:0 1.34
PC O-30:0 1.34
PE 36:6; PE 14:0_22:6 1.33
CAR 5:0 1.33
PG 35:2; PG 17:0_18:2 1.32
LPC 16:1/0:0 1.31
FA 19:2 1.31
CAR 10:0;O 1.31
LPC 17:0/0:0 1.31
PG 32:0; PG 16:0_16:0 1.31
Phosphoenolpyruvic acid 1.3
N-Acetylcitrulline 1.3
Histamine 1.3
PC 44:8 1.29
PC 37:4; PC 17:0_20:4 1.29
CL 70:7; CL 16:1_18:2_18:2_18:2 1.28
SM 42:3;O2; SM 29:2;O2/13:1 1.28
PC 31:0; PC 15:0_16:0 1.28
Ornithine 1.28
DG 34:3; DG 16:1_18:2 1.27
Lys-Ile 1.27
Val-Ile 1.27
FA 18:3 1.27
FA 22:6 1.27
gamma-Glu-Glu 1.26
PC 35:4; PC 15:0_20:4 1.26
PG O-34:2; PG O-18:2_16:0 1.25
Cytidine 2',3'-cyclic monophosphoric acid 1.25
PC 33:0; PC 16:0_17:0 1.25
PS 40:1; PS 22:0_18:1 1.24
Asparagine 1.24
LPC 19:0/0:0 1.24
LPC 20:4/0:0 (1) 1.23
Cer 42:3;O2; Cer 18:2;O2/24:1 1.23
Ala-Ala 1.23
LPC 14:0/0:0 1.23
LPC 15:0/0:0 1.21
gamma-Glu-Gln 1.2
PS 38:1; PS 20:0_18:1 1.2
Suberic acid 1.19
Acetyl-beta-alanine 1.19
PC 30:0; PC 14:0_16:0 1.19
Pentose X-phosphate 1.19
Glutamic acid 1.18
Lysine 1.18
Hippuric acid 1.18
N6-Succinyladenosine 1.18
N-Acetylornithine 1.17
CAR 18:0 1.17
Ser-Leu 1.17
Ala-Leu 1.17
Glutamine 1.17
Acetylcholine 1.16
PC 42:4 (1) 1.16
Ala-Ile 1.16
Guanosine 1.15
Flavin adenine dinucleotide 1.15
SM 32:1;O2; SM 16:1;O2/16:0 1.15
CAR 18:1;O 1.15
Carnitine 1.15
Guanine 1.15
Pantothenic acid 1.14
PG 34:2 (1); PG 16:0_18:2 1.14
Ser-Ile 1.13
Thymidine 1.13
Sucrose 1.13
PE 39:4; PE 19:0_20:4 1.12
HexCer 40:1;O2 1.12
LPE 22:0 1.12
PG 44:12; PG 22:6_22:6 1.12
Thr-Leu 1.12
FA 22:5 (1) 1.11
Cysteine-glutathione disulfide 1.11
NAE 18:2 1.11
Uridine 5-monophosphate 1.1
ST 27:1;O;S 1.1
Cer 40:0;O3; Cer 18:0;O3/22:0 1.1
SM 43:1;O2 1.09
Indolelactic acid 1.09
Val-Leu 1.09
NAOrn 19:0;O 1.09
Thymine 1.08
N-Acetylcarnosine 1.08
PC 37:6; PC 15:0_22:6 1.07
CAR 14:2;O 1.07
CAR 20:1 1.07
CAR 18:1 1.06
PEtOH 34:1; PEtOH 16:0_18:1 1.06
PC 42:4 (2) 1.06
CAR 20:2 1.06
CAR 16:0 1.06
Arg-Phe 1.05
GM3 34:1;O2 1.04
LPE 20:4 1.04
Cer 46:1;O2; Cer 20:1;O2/26:0 1.04
CAR 18:2 1.04
Malonic acid 1.04
Val-Tyr 1.03
N-Acetylphenylalanine 1.03
Xanthurenic acid 1.03
Glutathione (reduced) 1.02
LPC 18:0/0:0 1.02
Threonine 1.02
1-beta-Arabinofuranosyluracil 5'-monophosphate 1.02
Adenosine 1.02
CL 72:8; CL 18:2_18:2_18:2_18:2 1.02
Cytidine 5'-monophospho-N-acetylneuraminic acid 1.01
PC 33:2; PC 15:0_18:2 1.01
PC O-38:4 (1) 1.01
PS 37:4; PS 17:0_20:4 1.0
PS 34:1; PS 16:0_18:1 1.0
TG 54:6 (1); TG 18:2_18:2_18:2 1.0
PE 38:4; PE 18:0_20:4 1.0
PC 38:6 (1); PC 18:2_20:4 0.99
Cer 38:0;O3; Cer 18:0;O3/20:0 0.99
Cer 38:2;O2; Cer 18:2;O2/20:0 0.99
SM 36:2;O2; SM 18:1;O2/18:1 0.98
PC 32:0; PC 16:0_16:0 0.98
4-Hydroxyisoleucine 0.98
beta-Nicotinamide adenine dinucleotide 0.98
DG 32:0; DG 16:0_16:0 0.98
PE 32:1; PE 16:0_16:1 0.97
TG 48:6 (2); TG 10:0_16:0_22:6 0.97
Flavine mononucleotide 0.97
S-Adenosylhomocysteine 0.97
LPC 22:6/0:0 0.97
Cytidine 5'-diphosphate ethanolamine 0.97
CAR 20:4 0.96
Gly-Leu 0.96
PE 39:6; PE 17:0_22:6 0.96
Cer 44:0;O3; Cer 20:0;O3/24:0 0.96
TG 56:9; TG 18:2_18:3_20:4 0.95
Argininosuccinic acid 0.95
PC 38:4; PC 18:0_20:4 0.95
SM 42:2;O2; SM 18:1;O2/24:1 0.94
5-Aminovaleric acid betaine 0.94
PC O-34:1 0.94
PI 40:5; PI 18:0_22:5 0.94
PC O-38:8 0.94
PC 39:4; PC 19:0_20:4 0.92
PG 36:2; PG 18:1_18:1 0.92
SM 33:1;O2; SM 17:1;O2/16:0 0.92
gamma-Glu-Tyr 0.92
PS 38:3; PS 18:0_20:3 0.92
Allantoin 0.91
TG 53:6; TG 15:0_18:2_20:4 0.91
Pyridoxal 5-phosphate 0.9
PC O-35:8 (2) 0.9
Fructose 6-phosphate 0.9
TG 50:6 (2); TG 12:0_16:0_22:6 0.9
Adenosine 5'-diphosphoribose 0.9
Val-Glu 0.9
PC 30:1; PC 14:0_16:1 0.9
LPE 19:0 0.9
PE O-38:5 (1); PE O-16:1_22:4 0.9
PS 36:1; PS 18:0_18:1 0.9
PC 41:1 0.9
Cer 36:2;O2; Cer 18:2;O2/18:0 0.9
Phe-Phe 0.89
N-gamma-Glu-Leu 0.89
Cer 36:1;O2; Cer 18:1;O2/18:0 0.89
DG 36:4 (1); DG 18:2_18:2 0.89
SM 41:2;O2; SM 18:2;O2/23:0 0.88
FA 24:5 0.88
Creatine 0.88
FA 18:1 0.88
FA 24:2 0.88
PE O-34:2; PE O-16:1_18:1 0.87
Adenine 0.87
PC 34:3; PC 16:0_18:3 0.87
FA 18:2 0.87
PC 42:1 0.87
PC 32:1; PC 16:0_16:1 0.87
PI 32:0; PI 16:0_16:0 0.86
TG 42:4; TG 10:0_12:0_20:4 0.86
LPC 20:3/0:0 0.86
TG 52:8; TG 12:0_20:4_20:4 0.86
TG 60:12; TG 18:2_20:4_22:6 0.85
Cer 41:2;O2; Cer 18:2;O2/23:0 0.85
PC O-37:9 0.85
Aconitic acid, cis- 0.85
Xanthine 0.84
PE 31:0; PE 15:0_16:0 0.84
SM 38:4;O2; SM 21:0;O2/17:4 0.84
Cer 34:0;O3; Cer 18:0;O3/16:0 0.84
Cer 32:1;O2; Cer 18:1;O2/14:0 0.84
LPG 18:2 0.84
Creatinine 0.84
TG 51:4; TG 15:0_18:2_18:2 0.84
PE 38:6 (2); PE 16:0_22:6 0.83
PS 34:2; PS 16:0_18:2 0.82
PC 34:0; PC 16:0_18:0 0.82
PC 42:2; PC 24:0_18:2 0.82
PE 40:8; PE 18:2_22:6 0.82
FA 20:3 0.82
TG 44:4 (2); TG 12:0_14:0_18:4 0.82
PC 29:0 0.82
FA 20:4 0.82
SM 38:2;O2; SM 21:0;O2/17:2 0.82
FA 32:1 0.82
LPC 24:2/0:0 0.81
4-Acetamidobutanoic acid 0.81
SM 38:1;O2 0.81
PE 38:6 (1); PE 18:2_20:4 0.81
N-Acetylhistidine 0.8
PEtOH 34:2; PEtOH 16:0_18:2 0.8
CAR 22:2 0.8
LPG 16:0 0.8
LPE 17:0 0.8
FA 16:1 0.79
Cysteic acid 0.79
FA 17:0 0.79
3'-Dephosphocoenzyme A 0.79
PG 36:4 (1); PG 18:2_18:2 0.79
FA 16:0 0.79
alpha-Aminoadipic acid 0.78
3-Hydroxybutyric acid 0.78
FA 19:1 0.78
Ectoine 0.78
FA 24:6 0.78
PC 33:1; PC 15:0_18:1 0.78
Methionine sulfoxide 0.77
PI 30:0; PI 14:0_16:0 0.77
TG 40:0; TG 10:0_14:0_16:0 0.77
FA 17:1 0.76
PE O-40:5; PE O-18:1_22:4 0.76
SM 42:1;O2; SM 18:1;O2/24:0 0.76
LPE 24:0 0.76
DG 36:5; DG 18:2_18:3 0.76
TG 56:8 (2); TG 16:0_18:2_22:6 0.76
PC 40:1 0.76
TG 44:0; TG 10:0_16:0_18:0 0.75
TG 37:0; TG 10:0_12:0_15:0 0.75
LPC 18:1/0:0 0.75
PC O-39:10 0.75
TG 48:4 (2); TG 12:0_16:0_20:4 0.75
SM 36:1;O2; SM 18:1;O2/18:0 0.75
LPC 22:0/0:0 0.75
1-Methyluric acid 0.75
TG 60:11; TG 18:2_20:4_22:5 0.75
LPC 20:2/0:0 0.75
Allothreonine 0.74
Alanine 0.74
LPC 23:0/0:0 0.74
Glucose 0.74
PC O-35:8 (1) 0.73
TG 58:10 (2); TG 16:0_20:4_22:6 0.73
N-Acetylputrescine 0.73
Cystine 0.73
Pro-Ala 0.73
TG 35:0; TG 10:0_12:0_13:0 0.73
TG 56:8 (1); TG 18:2_18:2_20:4 0.73
CAR 15:0 0.73
Cer 42:2;O2; Cer 18:2;O2/24:0 0.72
LPE 22:6 0.72
PE 34:3; PE 16:1_18:2 0.72
TG 42:0; TG 12:0_14:0_16:0 0.72
PC O-36:0 0.72
CAR 16:2 0.72
CAR 3:0 0.72
TG 51:3; TG 15:0_18:1_18:2 0.71
PC 35:2; PC 17:0_18:2 0.71
PG 32:1; PG 16:0_16:1 0.71
FA 20:2 0.71
Hypotaurine 0.71
N,N-Dimethylguanosine 0.71
PC 40:6; PC 20:2_20:4 0.71
Cer 33:1;O2; Cer 17:1;O2/16:0 0.71
TG 52:4 (1); TG 16:1_18:1_18:2 0.71
Oxalic acid 0.7
LPI 20:4 0.7
TG 43:0; TG 10:0_16:0_17:0 0.7
Phenylalanine 0.69
TG 38:0; TG 10:0_12:0_16:0 0.69
FA 26:2 0.69
Thr-Thr 0.69
CAR 17:0 0.69
CAR 16:1 (1) 0.69
LPC 20:4/0:0 (2) 0.69
PC O-38:6 0.68
Cer 38:1;O2; Cer 18:1;O2/20:0 0.68
DG 40:4; DG 18:0_22:4 0.68
FA 30:0 0.68
PE 36:4; PE 16:0_20:4 0.68
Cer 42:0;O3; Cer 18:0;O3/24:0 0.68
CoQ9 0.68
FA 24:3 0.67
PS 36:2; PS 18:0_18:2 0.67
N6-Threonylcarbamoyladenosine 0.67
CE 20:4 0.67
Anserine 0.67
TG 39:0; TG 12:0_13:0_14:0 0.66
HexCer 42:1;O2 0.66
Trimethyllysine 0.66
Citric acid 0.66
Adenosine 3'-monophosphate 0.66
PE 37:2; PE 19:0_18:2 0.66
N,N-Dimethylvaline 0.66
PE 38:5; PE 18:1_20:4 0.66
LPE O-16:1 0.66
FA 18:0 0.66
DG 38:6; DG 16:0_22:6 0.66
LPE 22:5 0.65
TG 45:0; TG 14:0_15:0_16:0 0.65
Arachidonoyl coenzyme A 0.65
TG 46:4 (2); TG 10:0_16:0_20:4 0.65
Glu-Lys 0.65
PE 38:1; PE 18:0_20:1 0.65
PC 36:2; PC 18:1_18:1 0.65
N-Acetylmethionine 0.64
3-Hydroxyisobutyric acid 0.64
FA 26:6 0.64
CL 75:8; CL 18:1_18:2_18:2_21:3 0.64
CL 76:12; CL 18:2_18:2_18:2_22:6 0.64
LPE 20:2 0.63
Pro-hydroxy-Pro 0.63
Pyridoxal 0.63
TG 36:0; TG 10:0_12:0_14:0 0.63
TG 58:11; TG 18:2_20:4_20:5 0.63
4-Pyridoxic acid 0.63
TG 41:2; TG 11:0_12:0_18:2 0.62
PE 40:4; PE 18:0_22:4 0.62
SM 40:4;O2 0.62
Biopterin 0.62
CAR 5:1 0.62
TG 46:0; TG 12:0_16:0_18:0 0.62
TG 48:6 (1); TG 10:0_18:2_20:4 0.62
PE 34:1; PE 16:0_18:1 0.61
LPC 16:0/0:0 0.61
PI 36:1; PI 18:0_18:1 0.61
PC 42:5; PC 22:1_20:4 0.61
TG 46:1; TG 12:0_16:0_18:1 0.61
Cytidine 5'-diphosphocholine 0.61
PC O-34:0 0.61
Ile-Pro-Ile 0.61
FA 22:2 0.61
FAHFA 36:3;O; FAHFA 18:2/18:1;O 0.61
SM 41:1;O2; SM 18:1;O2/23:0 0.61
His-Trp 0.61
TG 54:7; TG 16:0_18:2_20:5 0.6
LPE 22:4 0.6
PEtOH 36:2; PEtOH 18:0_18:2 0.6
SM 34:2;O2; SM 18:2;O2/16:0 0.6
TG 53:3; TG 17:0_18:1_18:2 0.6
N-Acetylgalactosamine 4-sulfate 0.59
CAR 20:3 0.59
Piperidine 0.59
Leucine 0.59
PMeOH 34:2; PMeOH 16:0_18:2 0.59
Cer 41:0;O3; Cer 18:0;O3/23:0 0.59
Cer 40:1;O2; Cer 18:1;O2/22:0 0.58
TG 34:0; TG 10:0_12:0_12:0 0.58
TG 50:6 (1); TG 12:0_18:2_20:4 0.58
Cer 43:0;O3; Cer 18:0;O3/25:0 0.58
TG 46:5; TG 10:0_18:2_18:3 0.58
PC 36:4 (2); PC 16:0_20:4 0.58
TG 52:3; TG 16:0_18:1_18:2 0.58
PE O-36:5; PE O-16:1_20:4 0.58
TG 52:4 (2); TG 16:0_16:0_20:4 0.58
Cer 44:2;O2; Cer 18:1;O2/26:1 0.58
PC 36:4 (1); PC 18:2_18:2 0.57
TG 46:2; TG 12:0_16:0_18:2 0.57
Methionine 0.57
FA 23:1 0.57
Phenol sulfate 0.56
LPC 20:0/0:0 0.56
TG O-52:2; TG O-18:1_16:0_18:1 0.56
Cer 42:0;O4; Cer 18:0;O3/24:0;(OH)2 0.56
PC O-34:2 0.56
FA 26:5 0.55
CAR 14:1 0.55
TG 47:2; TG 14:0_15:0_18:2 0.55
PG 38:6 (2); PG 16:0_22:6 0.55
PE O-38:7 (1); PE O-18:3_20:4 0.55
TG 54:6 (2); TG 16:0_18:2_20:4 0.54
Pyruvic acid 0.54
1-Methylhistidine 0.54
TG 47:4; TG 11:0_18:2_18:2 0.54
CAR 4:1;O2 0.54
PMeOH 34:1; PMeOH 16:0_18:1 0.54
TG 50:2; TG 16:0_16:0_18:2 0.54
CL 74:7; CL 18:1_18:1_18:2_20:3 0.54
PC 38:6 (2); PC 16:0_22:6 0.54
3-Indoxyl sulfate 0.54
TG 50:7; TG 10:0_18:2_22:5 0.53
N-Acetylarginine 0.53
TG 51:2; TG 16:0_17:1_18:1 0.53
CL 74:10; CL 18:2_18:2_18:2_20:4 0.53
TG 36:2; TG 8:0_10:0_18:2 0.53
N-Acetylserine 0.53
TG 48:2; TG 14:0_16:0_18:2 0.53
SM 36:5;O2 0.53
TG 42:2; TG 10:0_14:0_18:2 0.53
PE O-32:1; PE O-16:1_16:0 0.53
TG 54:5; TG 16:0_18:1_20:4 0.53
CAR 16:1 (2) 0.53
PI 40:7; PI 18:1_22:6 0.52
PS 40:5; PS 18:0_22:5 0.52
PG 34:2 (2); PG 16:0_18:2 0.52
PC 35:1; PC 17:0_18:1 0.52
PC 38:5; PC 18:1_20:4 0.52
Ergothioneine 0.52
TG 58:8; TG 18:1_18:2_22:5 0.52
TG 38:3; TG 8:0_12:0_18:3 0.51
HexCer 34:0;O3 0.51
TG 46:4 (1); TG 10:0_18:2_18:2 0.51
FA 24:4 0.51
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.51
Malic acid 0.51
FA 14:0 0.51
TG 52:6 (2); TG 14:0_16:0_22:6 0.51
PE 36:2; PE 18:1_18:1 0.51
TG 42:1; TG 8:0_16:0_18:1 0.51
CAR 18:3 0.51
FA 26:1 0.51
Linoleoyl coenzyme A 0.5
TG 36:1; TG 8:0_10:0_18:1 0.5
TG 50:4 (2); TG 14:0_16:0_20:4 0.5
LPC 18:2/0:0 0.5
Pseudouridine 0.5
Uridine diphosphate glucose 0.5
PS 40:6; PS 18:0_22:6 0.5
LPC 20:5/0:0 (2) 0.5
TG 41:0; TG 10:0_15:0_16:0 0.5
Dimethylarginine 0.5
PC 34:2;O2; PC 16:0_18:2;O2 0.49
Guanosine 5'-monophosphate 0.49
PG 34:1; PG 16:0_18:1 0.49
TG 60:4; TG 18:1_24:1_18:2 0.49
TG 44:1; TG 12:0_14:0_18:1 0.49
Fumaric acid 0.49
TG 60:6; TG 18:1_20:1_22:4 0.49
Thiamine 0.49
Pro-Pro 0.49
PE O-38:5 (2); PE O-18:1_20:4 0.49
PC O-37:8 0.49
PE 36:1; PE 18:0_18:1 0.48
TG 32:0; TG 8:0_10:0_14:0 0.48
PG 42:10; PG 20:4_22:6 0.48
FA 30:1 0.48
TG 47:1; TG 15:0_16:0_16:1 0.48
FA 15:0 0.48
Cytidine 0.48
PC O-38:7 0.47
Phenylacetylaspartic acid 0.47
TG 44:3; TG 8:0_18:1_18:2 0.47
TG 45:1; TG 14:0_15:0_16:1 0.47
N-Acetylthreonine 0.47
PC O-41:11 0.47
FA 26:0 0.47
PC 37:2; PC 19:0_18:2 0.47
TG 44:2; TG 10:0_16:0_18:2 0.47
TG 44:4 (1); TG 8:0_18:2_18:2 0.47
N-Acetylalanine 0.47
TG 58:10 (1); TG 18:2_20:4_20:4 0.47
TG 42:3; TG 10:0_14:0_18:3 0.47
N-Acetylleucine 0.46
Tyrosine 0.46
alpha-Ketoglutaric acid 0.46
TG 50:1; TG 16:0_16:0_18:1 0.46
N-Acetylglucosamine 6-phosphate 0.46
DG 40:6; DG 18:2_22:4 0.46
TG 48:1; TG 14:0_16:0_18:1 0.46
TG 47:3; TG 12:0_17:1_18:2 0.46
PC O-38:5 0.46
SM 34:1;O2; SM 18:1;O2/16:0 0.46
TG 40:1; TG 10:0_12:0_18:1 0.46
TG 53:2; TG 17:0_18:1_18:1 0.46
LPS 18:0 0.46
TG 60:2; TG 16:0_26:0_18:2 0.45
Cer 44:1;O2; Cer 20:1;O2/24:0 0.45
Glucuronic acid 0.45
Ile-Ser 0.45
FA 22:3 0.45
TG 48:3; TG 12:0_18:1_18:2 0.45
TG 48:4 (1); TG 12:0_18:2_18:2 0.45
LPI 16:0 0.45
Aconitic acid, trans- 0.45
Lactic acid 0.45
PC 37:8 0.44
PC 34:1; PC 16:0_18:1 0.44
Taurine 0.44
TG 40:2; TG 10:0_12:0_18:2 0.44
Cer 36:0;O3; Cer 18:0;O3/18:0 0.44
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 0.44
PE O-40:8; PE O-18:2_22:6 0.44
TG 46:3; TG 10:0_18:1_18:2 0.44
CE 18:2 0.44
PE 40:7;O; PE 20:4_20:3;O 0.44
Gluconic acid 0.44
DG 34:1; DG 16:0_18:1 0.44
DG 32:1; DG 14:0_18:1 0.43
PG 40:8; PG 18:2_22:6 0.43
Uridine 5'-diphosphoacetylglucosamine 0.43
TG 52:6 (1); TG 16:1_18:2_18:3 0.43
TG 45:3; TG 10:0_17:1_18:2 0.43
Serotonin 0.43
TG 51:1; TG 16:0_17:0_18:1 0.43
TG 50:8; TG 10:0_18:2_22:6 0.43
TG 41:1; TG 11:0_12:0_18:1 0.43
PC 36:1; PC 18:0_18:1 0.43
N,N-Dimethylarginine 0.43
FA 19:0 0.43
S-Succinylcysteine 0.43
TG 50:3; TG 14:0_18:1_18:2 0.42
FA 28:0 0.42
TG 54:3; TG 18:0_18:1_18:2 0.42
alpha-Hydroxyglutaric acid 0.42
TG 40:3; TG 10:0_12:0_18:3 0.42
TG 43:1; TG 10:0_15:0_18:1 0.41
FA 27:0 0.41
FA 24:0;O 0.41
TG 52:2; TG 16:0_18:0_18:2 0.41
FA 22:0;O 0.41
NAOrn 17:0;O 0.41
TG 45:2; TG 12:0_15:0_18:2 0.41
Cer 34:2;O2; Cer 18:2;O2/16:0 0.4
TG 49:1; TG 15:0_16:0_18:1 0.4
TG 43:2; TG 10:0_15:0_18:2 0.4
HexCer 41:1;O2 0.4
TG 50:4 (1); TG 14:0_18:2_18:2 0.4
SM 42:2;O3 0.4
Arginine 0.4
DG 36:2; DG 18:0_18:2 0.4
PG 38:5; PG 18:1_20:4 0.4
FA 22:4 0.39
PE O-36:2; PE O-18:1_18:1 0.39
FA 18:0;O 0.39
PE 42:7;O; PE 20:4_22:3;O 0.39
TG 38:1; TG 10:0_12:0_16:1 0.39
DG 40:7; DG 18:2_22:5 0.39
TG 58:5; TG 18:0_18:1_22:4 0.39
CL 70:5; CL 16:0_18:1_18:2_18:2 0.39
PG 38:4; PG 18:0_20:4 0.38
5'-S-Methyl-5'-thioadenosine 0.38
1-Methyladenosine 0.37
SM 40:1;O2; SM 18:1;O2/22:0 0.37
CL 72:6; CL 18:1_18:1_18:2_18:2 0.37
Cytosine 0.37
LPC 24:0/0:0 0.37
Deoxycytidine 0.37
DG 38:4; DG 18:0_20:4 0.37
TG 60:10; TG 18:1_20:4_22:5 0.37
FA 24:1 0.37
FA 15:1 0.37
DG 36:3; DG 18:1_18:2 0.36
PE 34:2; PE 16:0_18:2 0.36
TG 38:2; TG 10:0_10:0_18:2 0.36
LPC 22:4/0:0 0.36
LPC 20:1/0:0 0.36
PC 36:0; PC 18:0_18:0 0.36
LPE 18:2 0.36
TG 54:1; TG 16:0_20:0_18:1 0.36
FA 20:4;O2 0.35
FA 22:5 (2) 0.35
Tryptophan 0.35
TG O-50:2; TG O-16:0_16:0_18:2 0.35
PI 38:6 (1); PI 18:2_20:4 0.35
PI 36:2; PI 18:0_18:2 0.35
Betaine 0.34
trans-Crotonobetaine 0.34
FA 20:5 (2) 0.34
PE O-38:2 (2); PE O-18:1_20:1 0.34
LPE 16:0 0.34
FA 24:0 0.33
Arg-Pro 0.33
PE 40:5; PE 18:0_22:5 0.33
TG 56:2; TG 16:0_18:1_22:1 0.33
Val-Asp 0.32
TG 56:1; TG 16:0_22:0_18:1 0.32
PS 36:4; PS 16:0_20:4 0.32
PE O-38:2 (1); PE O-20:0_18:2 0.32
Nicotinic acid 0.32
Succinic acid 0.32
LPE 18:1 0.32
DG 36:1; DG 18:0_18:1 0.32
TG 54:2; TG 16:0_18:1_20:1 0.32
TMAO 0.31
TG 52:1; TG 16:0_18:0_18:1 0.31
FA 14:1 0.31
PC 44:4 0.31
Choline 0.31
FA 18:1;O 0.31
DG 38:5; DG 16:0_22:5 0.31
LPC 24:1/0:0 0.31
TG 56:3; TG 20:0_18:1_18:2 0.31
TG 62:11; TG 18:2_22:4_22:5 0.31
Glycine 0.31
TG 54:8; TG 14:0_18:2_22:6 0.3
Glu-Phe 0.3
PI 36:4; PI 16:0_20:4 0.3
Proline 0.3
Genistein-4'-glucuronide 0.3
Glycocholic acid 0.3
TG 55:2; TG 18:0_18:1_19:1 0.3
PC 34:2; PC 16:0_18:2 0.3
LPI 15:0 0.29
FA 13:0 0.29
LPC 22:5/0:0 0.29
DG 40:8; DG 18:2_22:6 0.29
TG 48:0; TG 15:0_16:0_17:0 0.29
PI 38:3; PI 18:0_20:3 0.29
TG 56:5; TG 16:0_18:1_22:4 0.29
PC O-36:4 0.29
Isoleucine 0.28
Cer 42:2;O3; Cer 18:0;O3/24:2 0.28
LPE O-17:1 0.28
FA 25:0 0.28
Glu-Gly-Arg 0.28
N-epsilon-Methyllysine 0.28
FA 28:6;O 0.27
Cer 43:1;O2; Cer 18:1;O2/25:0 0.27
Histidine 0.27
Vanillin-4-sulfate 0.27
TG 58:3; TG 16:0_24:1_18:2 0.27
Cytidine 5'-monophosphate 0.27
N-Acetyl-S-benzylcysteine 0.26
DG 36:4 (2); DG 16:0_20:4 0.26
LPE 18:0 0.26
TG 58:2; TG 16:0_18:1_24:1 0.26
Ile-Asp 0.25
Uridine diphosphate glucuronic acid 0.25
Kynurenine 0.25
N-Acetylglutamic acid 0.25
Hypoxanthine 0.25
PE O-36:3; PE O-18:2_18:1 0.25
TG 57:2; TG 16:0_23:0_18:2 0.24
4-Guanidinobutyric acid 0.24
NAE 16:0 0.24
gamma-Glu-Leu 0.24
PE O-34:3; PE O-16:1_18:2 0.24
PI 38:6 (2); PI 16:0_22:6 0.24
Carnosine 0.23
PG 36:3; PG 18:1_18:2 0.23
N1-Acetylspermidine 0.23
SM 36:0;O2 0.23
PE O-40:7; PE O-18:1_22:6 0.23
Tyramine 0.23
PG 36:4 (2); PG 16:0_20:4 0.23
Cer 41:1;O2; Cer 18:1;O2/23:0 0.22
Adenylosuccinic acid 0.22
PE O-36:6; PE O-16:1_20:5 0.22
FA 21:0 0.22
Daidzein 4'-sulfate 0.22
Ser-Glu 0.22
PC 38:2; PC 18:0_20:2 0.22
Serine 0.21
PE 40:6; PE 18:0_22:6 0.21
Trigonelline 0.21
Cer 30:1;O2; Cer 18:1;O2/12:0 0.21
LPE O-18:2 0.21
FA 20:1 0.21
Cer 40:2;O2; Cer 18:2;O2/22:0 0.21
Stachydrine (proline betaine) 0.21
PE O-39:5; PE O-17:1_22:4 0.21
Urocanic acid 0.2
Cer 34:1;O2; Cer 18:1;O2/16:0 0.2
LPI 18:0 0.2
PC 40:2 0.2
CL 72:7; CL 18:1_18:2_18:2_18:2 0.2
LPC O-16:0 0.2
PI 34:2; PI 16:0_18:2 0.2
Nicotinamide 0.2
FA 20:0 0.19
PG 38:6 (1); PG 18:2_20:4 0.19
Glucose 1-phosphate 0.19
PC O-36:2 0.19
PG 36:1; PG 18:0_18:1 0.19
Cer 42:1;O3; Cer 18:0;O3/24:1 0.19
Inosine 0.19
Cer 42:1;O2; Cer 18:1;O2/24:0 0.19
PC 38:3; PC 18:0_20:3 0.19
FA 22:0 0.18
PE O-37:5; PE O-17:1_20:4 0.18
Isocitric acid 0.18
FA 23:0 0.18
PE O-35:2; PE O-17:1_18:1 0.17
PI 38:5; PI 18:1_20:4 0.17
LPS 17:0 0.17
PE O-35:5; PE O-15:1_20:4 0.17
N-Acetylglucosaminylasparagine 0.17
Inosine 5'-monophosphate 0.17
PG 30:0; PG 14:0_16:0 0.17
Ile-Tyr 0.16
Phenylacetaldehyde 0.16
PE O-38:7 (2); PE O-16:1_22:6 0.16
Uridine 0.16
5-Methyl-2'-deoxycytidine 0.16
FA 22:1 0.15
PC O-37:10 0.15
SM 39:1;O2 0.15
PI 38:4; PI 18:0_20:4 0.14
NAOrn 27:1;O 0.14
PE 38:2; PE 18:0_20:2 0.14
PC 40:5; PC 18:0_22:5 0.14
Aspartic acid 0.13
Sarcosine 0.13
PE 38:3; PE 18:0_20:3 0.13
HexCer 34:1;O2; HexCer 18:1;O2/16:0 0.13
FA 16:0;O 0.13
LPC 22:1/0:0 0.13
SM 34:0;O2 0.13
SM 40:2;O2; SM 18:2;O2/22:0 0.12
PC O-38:4 (2) 0.12
PC 44:5 0.12
CoQ8 0.11
NAE 18:0 0.1
Orotic acid 0.1
N-Acetylneuraminate 0.07
Model performance: Q2 = 0.986, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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