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Table 3 Detailed information of top 20a perturbed metabolites among different comparison group

From: Global metabolomic and lipidomic analysis reveals the potential mechanisms of hemolysis effect of Ophiopogonin D and Ophiopogonin D' in vivo

Metabolites m/z Retention time (min) Detection mode (NC vs OPD) (NC vs OPD') (OPD vs OPD')
VIP FC VIP FC VIP FC
LysoPC (18:1(9Z))b 522.3554 10.4072 Positive 40.29 1.23 42.27 1.22 / /
PC(16:0/0:0)[U] / PC(16:0/0:0)b 496.3396 9.8993 Positive / / 22.25 1.13 / /
Cholic acidb 815.5688 8.2063 Negative / / / / 28.13 1.72
(R)-Butaprost 834.6078 8.2002 Positive / / / / 20.9 1.55
PC (14:0/0:0)b 468.3084 9.0744 Positive 17.68 1.95 13.98 1.48 6.50 0.76
LysoPC (16:1(9Z)/0:0)b 538.3154 9.3950 Negative 14.43 1.92 11.36 1.41 7.53 0.74
LysoPC (20:2(11Z,14Z))b 548.3709 10.6952 Positive 14.12 1.30 16.65 1.34 / /
LysoPC (20:1(11Z))b 550.3865 11.3843 Positive 12.81 1.22 16.56 1.32 / /
1-heptadecanoyl-sn-glycero-3-phosphocholineb 510.3555 10.6233 Positive / / 15.9 1.15 / /
LysoPC(16:0)b 540.3312 9.8953 Negative / / 11.4 1.14 / /
3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid 373.2735 8.2002 Positive 12.72 0.73 / / 20.47 1.53
LysoPC (22:5(7Z,10Z,13Z,16Z,19Z))b 570.3551 10.0146 Positive 12.70 1.36 8.09 1.29 / /
15-hydroxy-tetracosa-6,9,12,16,18-pentaenoic acid 357.2785 9.3971 Positive 11.09 0.56 / / / /
Sulfolithocholylglycine 512.2690 6.0969 Negative / / / / 9.80 1.74
LysoPC (20:3(5Z,8Z,11Z))b 590.3467 10.1463 Negative 10.17 1.46 8.86 1.3 / /
PC (17:1(10Z)/0:0)b 508.3393 9.8993 Positive 9.18 1.67 7.65 1.37 3.54 0.82
(22E)-3beta-Hydroxy-5alpha-chola-7,22-dien-24-oic Acid 373.2735 7.4742 Positive 9.18 0.57 / / 14.6 2.12
LysoPC (14:0/0:0)b 512.2997 9.0829 Negative 8.99 1.99 6.92 1.47 4.15 0.74
PC (19:1(9Z)/0:0)b 536.3708 10.8693 Positive 8.90 1.61 8.55 1.51 / /
Isocitrate 191.0189 0.7660 Negative 8.35 1.74 / / / /
PC(O-18:1(11Z)/0:0)b 508.3762 10.7094 Positive 8.22 0.79 / / / /
LysoPC (17:0)b 554.3466 10.6250 Negative 7.90 1.14 10.33 1.21 / /
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-al 783.5790 9.3950 Negative 7.50 0.50 / / / /
2-Hydroxycinnamic acid 182.0810 1.1162 Positive 6.38 1.16 8.68 1.22 / /
Avicholic acid 391.2840 7.6371 Positive 5.47 0.58 / / 3.91 1.42
LysoPC (20:5(5Z,8Z,11Z,14Z,17Z))b 586.3156 9.2737 Negative 4.98 1.41 / / 4.66 0.78
3alpha,9alpha,11beta-Trihydroxy-5beta-cholan-24-oic Acid 391.2840 7.4742 Positive / / / / 5.62 2.17
PC(16:0/18:2(9Z,12Z))b 780.5518 13.6416 Positive / / 6.42 0.68 / /
4-methoxy-1-benzofuran-6-ol 182.0811 0.7787 Positive / / 4.76 1.42 / /
Scyphostatin A 512.3348 9.2759 Positive / / 4.68 1.48 / /
p-Cresol sulfate 187.0062 4.5210 Negative / / 4.37 0.31 / /
L-Carnitine 162.1123 0.7510 Positive / / 4.16 0.75 / /
2-Hydroxy-3-methoxyestrone 424.3418 9.6654 Positive / / / / 4.68 1.36
LysoPC(P-18:0)b 552.3678 10.7062 Negative / / / / 4.48 1.22
Diosgenin 397.3101 9.9280 Positive / / / / 3.81 0.56
21-Deoxycortisol 347.2216 7.2521 Positive / / / / 3.60 1.19
12-Hydroxy-12-octadecanoylcarnitine 426.3573 10.1025 Positive / / / / 3.44 1.40
3alpha,12beta-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid 424.3056 8.1553 Positive / / / / 3.19 1.74
Americine 584.2627 13.9012 Positive / / / / 2.97 1.89
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) b 502.2926 9.7375 Positive / / / / 2.92 1.23
  1. “a”The ranking of top 20 is in descending order of VIP value. “b”Means that the metabolites were correlated to hemolysis