metabolite_name CSI-wt1 CSI-wt2 CSI-wt3 CSI-wt4 CSI-wt5 CSI-DAO1 CSI-DAO2 CSI-DAO3 CSI-DAO4 CSI-DAO5 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1 0.0059 0.0026 0.0041 0.0041 0.0025 0.0150 0.0260 0.0068 0.0065 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2 0.0065 0.0013 0.0045 0.0050 0.0017 0.0011 0.0035 0.0028 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-3 0.0091 0.0024 0.0054 0.0038 0.0290 0.0120 0.0063 1,2-Distearoyl-glycero-3-phosphocholine 0.0027 0.0019 0.0048 0.0015 0.0066 0.0036 0.0019 0.0020 0.0051 0.0053 1-Myristoyl-glycero-3-phosphocholine-1 0.0008 0.0020 0.0016 0.0018 0.0006 1-Myristoyl-glycero-3-phosphocholine-2 0.0058 0.0047 0.0230 0.0180 0.0140 0.0210 0.0044 0.0027 0.0087 0.0065 1-Myristoyl-glycero-3-phosphocholine-3 0.0016 0.0024 0.0014 0.0024 0.0011 0.0005 1-Myristoyl-glycero-3-phosphoethanolamine 0.0049 0.0012 0.0015 0.0035 0.0031 0.0012 0.0010 0.0016 1-Oleoyl-glycero-3-phosphocholine-1 0.0200 0.0140 0.0630 0.0450 0.0340 0.0530 0.0130 0.0079 0.0210 0.0220 1-Oleoyl-glycero-3-phosphocholine-2 0.1900 0.1500 0.4600 0.3300 0.4800 0.5200 0.1000 0.0710 0.2300 0.2300 1-Palmitoyl-glycero-3-phosphocholine-1 0.0820 0.0830 0.1800 0.1100 0.1600 0.0720 0.0710 0.0430 0.0590 0.0570 1-Palmitoyl-glycero-3-phosphocholine-2 0.0550 0.0390 0.2200 0.1100 0.1100 0.1500 0.0430 0.0290 0.0540 0.0820 1-Palmitoyl-glycero-3-phosphoethanolamine-1 and/or LPE(16:0)-1 0.0052 0.0033 0.0035 0.0024 0.0034 0.0024 0.0032 0.0016 0.0023 0.0029 1-Palmitoyl-glycero-3-phosphoethanolamine-2 and/or LPE(16:0)-2 0.0440 0.0290 0.0610 0.0460 0.0570 0.0600 0.0230 0.0110 0.0320 0.0390 1-Stearoyl-glycero-3-phosphocholine-1 and/or 1-Hexadecyl-2-acetyl-glycero-3-phosphocholine 0.0360 0.0370 0.0540 0.0220 0.0640 0.0300 0.0310 0.0250 0.0260 0.0330 1-Stearoyl-glycero-3-phosphocholine-2 0.1500 0.1200 0.5200 0.2000 0.4400 0.4600 0.1200 0.1000 0.1700 0.3400 18-Hydroxycorticosterone 0.0007 0.0006 0.0012 0.0027 0.0015 0.0019 0.0013 19-Hydroxyandrostenedione 0.0029 19-Hydroxytestosterone-1 0.0006 0.0012 0.0023 0.0013 19-Hydroxytestosterone-2 0.0005 0.0015 2-Arachidonoylglycerol 0.0150 0.0160 0.0220 0.0150 0.0420 0.0260 0.0040 0.0030 0.0330 0.0510 20α-Hydroxyprogesterone 0.0017 0.0020 0.0047 0.0039 0.0029 0.0042 0.0031 5-Methoxyindoleacetic acid-1 0.0024 0.0010 0.0007 0.0011 5-Methoxyindoleacetic acid-2 0.0017 0.0074 0.0041 0.0035 0.0043 0.0010 0.0009 5-Methoxyindoleacetic acid-3 0.0014 0.0005 0.0010 0.0009 5α-Cholestan-3-one-1 0.0018 0.0027 0.0035 0.0028 0.0037 0.0026 0.0030 0.0029 0.0013 0.0032 5α-Cholestan-3-one-2 0.0009 0.0041 0.0013 0.0003 5α-Cholestan-3-one-3 0.0015 0.0016 0.0024 0.0026 0.0017 0.0016 0.0018 0.0018 0.0010 0.0040 7-Dehydrocholesterol-1 and/or Desmosterol 0.0024 0.0011 0.0021 0.0020 0.0010 0.0023 7-Dehydrocholesterol-2 0.0016 0.0010 0.0011 0.0009 0.0008 0.0013 0.0006 AC(12:0)-1 0.0020 0.0014 0.0068 0.0028 0.0051 0.0044 0.0037 0.0022 0.0019 AC(12:0)-2 0.0060 0.0076 0.0150 0.0100 0.0240 0.0130 0.0086 0.0140 0.0110 0.0170 AC(12:1)-1 0.0005 0.0032 0.0016 0.0008 0.0012 0.0010 AC(12:1)-2 0.0018 0.0018 0.0013 0.0013 0.0007 0.0008 AC(13:1) 0.0094 0.0079 0.0600 0.0430 0.0460 0.0360 0.0290 0.0090 0.0081 0.0089 AC(14:0) 0.0080 0.0075 0.0320 0.0170 0.0320 0.0180 0.0240 0.0130 0.0087 0.0180 AC(14:1)-1 0.0016 0.0011 0.0078 0.0031 0.0081 0.0037 0.0049 0.0012 0.0013 0.0029 AC(14:1)-2 0.0024 0.0027 0.0170 0.0073 0.0140 0.0078 0.0110 0.0047 0.0028 0.0059 AC(14:1)-3 0.0005 0.0011 0.0007 0.0021 0.0011 0.0017 0.0014 0.0017 AC(14:2) 0.0013 0.0016 0.0032 0.0020 0.0043 0.0031 0.0025 0.0015 0.0013 0.0014 AC(15:0)-1 0.0015 0.0013 0.0042 0.0030 0.0028 0.0017 0.0029 0.0025 0.0010 0.0023 AC(15:0)-2 0.0054 0.0019 0.0140 0.0051 0.0090 0.0053 0.0170 0.0160 0.0036 0.0092 AC(16:1) 0.0170 0.0140 0.0410 0.0260 0.0420 0.0300 0.0300 0.0150 0.0110 0.0350 AC(16:2) 0.0025 0.0057 0.0170 0.0093 0.0200 0.0100 0.0120 0.0032 0.0030 0.0040 AC(17:0) 0.0019 0.0012 0.0011 0.0013 0.0021 AC(18:0) 0.0085 0.0061 0.0140 0.0080 0.0120 0.0073 0.0100 0.0066 0.0076 0.0110 AC(18:1) 0.0160 0.0140 0.0620 0.0370 0.0520 0.0450 0.0380 0.0200 0.0110 0.0450 AC(18:2) 0.0140 0.0200 0.0940 0.0570 0.0790 0.0710 0.0830 0.0220 0.0170 0.0270 AC(20:0) 0.0006 0.0013 0.0011 0.0005 0.0007 AC(20:1) 0.0023 0.0016 0.0080 0.0051 0.0049 0.0044 0.0023 0.0019 0.0059 AC(22:0) 0.0011 0.0007 0.0012 0.0009 0.0009 0.0007 0.0013 AEA(18:3) 0.0020 0.0025 0.0024 0.0045 0.0051 0.0140 0.0017 0.0014 0.0031 0.0020 AEA(20:5) 0.0020 0.0017 0.0022 0.0025 0.0023 0.0073 0.0033 0.0023 0.0030 0.0029 AEA(22:6) 0.0036 0.0037 0.0058 0.0048 0.0150 0.0042 0.0024 0.0048 0.0033 Astaxanthin 0.0009 0.0005 0.0014 0.0010 0.0016 0.0005 0.0008 0.0007 0.0008 Baicalin 0.0003 0.0004 0.0004 0.0007 0.0002 0.0006 Biotin 0.0010 Campesterol 0.0310 0.0330 0.0450 0.0420 0.0440 0.0330 0.0310 0.0290 0.0230 0.0420 Cepharanthine 0.0004 0.0005 0.0007 0.0009 0.0025 Cholesterol 0.0890 0.0840 0.1400 0.1100 0.1000 0.1000 0.1100 0.1000 0.0770 0.1600 Chrysoeriol 0.0004 0.0009 0.0019 0.0006 Cortexolone, Corticosterone and/or 21-Deoxycortisol 0.0014 0.0018 0.0033 0.0039 0.0059 0.0010 0.0024 0.0017 0.0024 Cycloartenol-1 0.0300 0.0210 0.0620 0.0410 0.0390 0.0420 0.0540 0.0380 0.0250 0.0270 Cycloartenol-2 and/or Lanosterol-2 0.0110 0.0082 0.0160 0.0120 0.0130 0.0140 0.0130 0.0094 0.0067 0.0100 Dehydroisoandrosterone 0.0250 0.0110 0.0130 Diosgenin 0.0057 Eleutheroside B 0.0007 0.0006 0.0011 0.0008 0.0005 0.0009 0.0010 Ergocalciferol-1 0.0084 0.0061 Ergocalciferol-2 0.0071 0.0039 0.0069 0.0083 0.0100 0.0071 0.0076 0.0059 0.0050 0.0075 Estrone 0.0045 0.0074 0.0190 0.0170 0.0180 0.0120 Ethyl arachidonate 0.0011 0.0019 0.0026 Formononetin 0.0014 0.0019 0.0010 0.0005 Glycitein 0.0015 0.0044 0.0052 0.0140 0.0240 0.0069 0.0011 0.0022 Hecogenin-1 0.0021 0.0051 0.0032 0.0057 0.0022 0.0026 0.0020 0.0020 0.0037 Hecogenin-2 0.0012 0.0024 0.0009 0.0008 0.0013 Isoliquiritigenin 0.0010 Kynurenic acid 0.0030 Lactosylceramide(d18:1/24:1)-1 0.0025 0.0003 0.0020 0.0017 0.0011 0.0010 0.0013 0.0010 0.0008 0.0022 Lactosylceramide(d18:1/24:1)-2 0.0280 0.0096 0.0450 0.0380 0.0260 0.0170 0.0200 0.0290 0.0140 0.0320 Lanosterol-1 0.0019 0.0022 0.0057 0.0040 0.0018 0.0047 0.0031 0.0017 0.0026 0.0020 Linoleyl ethanolamide 0.0270 0.0210 0.0240 0.0580 0.0700 0.1600 0.0260 0.0120 0.0450 0.0190 Liquiritigenin-1 0.0018 0.0010 0.0008 Liquiritigenin-2 0.0008 0.0041 0.0079 0.0084 0.0011 0.0017 LPC(24:0) 0.0150 0.0100 0.0310 0.0250 0.0260 0.0210 0.0160 0.0094 0.0130 0.0170 LysoPAF(16:0) 0.0140 0.0052 0.0570 0.0430 0.0210 0.0240 0.0170 0.0093 0.0077 0.0230 N-Acetylsphingosine-1 0.0013 0.0016 0.0019 0.0029 0.0013 0.0033 0.0014 0.0019 0.0021 0.0028 N-Acetylsphingosine-2 0.0043 0.0024 0.0053 0.0038 0.0019 0.0017 0.0016 0.0011 0.0030 Oleoyl ethanolamide and/or AEA(18:1) 0.0200 0.0100 0.0160 0.0240 0.0220 0.0450 0.0160 0.0110 0.0140 0.0110 Ouabain 0.0012 0.0013 0.0030 0.0036 0.0030 0.0071 0.0049 0.0011 0.0008 0.0025 PAF(17:0)-1 0.0130 0.0140 0.0500 0.0180 0.0260 0.0440 0.0150 0.0140 0.0140 0.0330 PAF(17:0)-2 0.0027 0.0025 0.0076 0.0040 0.0040 0.0049 0.0035 0.0029 0.0025 0.0045 Palmitoylcarnitine 0.0250 0.0160 0.0590 0.0300 0.0480 0.0300 0.0430 0.0250 0.0150 0.0520 Palmitoylethanolamide 0.0170 0.0094 0.0130 0.0160 0.0170 0.0330 0.0110 0.0100 0.0099 Phytosphingosine 0.1300 0.0510 0.6700 0.2700 0.4900 0.3700 0.2100 0.1100 0.0690 0.1600 Prostaglandin E1-1 and/or Prostaglandin D1-1 0.0740 0.1000 0.3500 0.2900 0.3600 0.3100 0.3600 0.2100 0.2000 0.2400 Prostaglandin E1-2 and/or Prostaglandin D1-2 0.0004 0.0011 0.0010 0.0029 0.0015 0.0022 Riboflavin 0.0032 0.0056 0.0110 0.0028 0.0018 0.0028 0.0030 0.0017 0.0011 0.0016 Saponarin-1 0.0003 0.0004 0.0008 Saponarin-2 0.0002 0.0005 0.0003 Saponarin-3 0.0003 0.0001 0.0006 Sitosterol 0.0690 0.0640 0.0810 0.0850 0.0780 0.0670 0.0550 0.0570 0.0380 0.0670 Sphinganine 0.0300 0.0140 0.0640 0.0450 0.0510 0.0390 0.0450 0.0380 0.0310 0.0550 Sphinganine(d20:0) 0.0028 0.0057 0.0043 0.0025 0.0030 0.0014 0.0006 0.0034 Sphingomyelin(d18:1/16:0)-1 0.2400 0.2200 0.6400 0.2200 1.0000 0.2400 0.2700 0.3600 1.1000 1.5000 Sphingomyelin(d18:1/16:0)-2 0.0071 0.0052 0.0069 0.0051 0.0039 0.0073 Sphingomyelin(d18:1/18:0)-1 0.0130 0.0130 0.0220 0.0110 0.0260 0.0130 0.0120 0.0130 0.0280 0.0440 Sphingomyelin(d18:1/18:0)-2 0.0020 0.0031 0.0045 Sphingosine 0.0180 0.0270 0.0850 0.0510 0.0910 0.0860 0.0570 0.0350 0.0250 0.0530 Sphingosine(d20:1) 0.0040 0.0012 0.0150 0.0120 0.0094 0.0087 0.0140 0.0083 0.0055 0.0140 Stearoyl ethanolamide 0.0110 0.0081 0.0078 0.0061 0.0057 0.0078 0.0053 0.0047 0.0030 0.0041 Stigmasterol-1 0.0081 0.0068 0.0086 0.0081 0.0074 0.0061 0.0063 0.0060 0.0048 0.0071 Stigmasterol-2 0.0097 0.0100 0.0150 0.0130 0.0120 0.0110 0.0088 0.0079 0.0045 0.0110 Testosterone-1 0.0031 0.0014 0.0029 0.0022 0.0020 Testosterone-2 0.0007 0.0011 0.0012 0.0022 Trilaurin 0.0018 0.0010 0.0250 0.0018 0.0012 0.0024 0.0025 α-Tocopherol 0.0460 0.0310 0.0490 0.0460 0.0380 0.0370 0.0490 0.0350 0.0270 0.0340 α-Tocopherol acetate 0.0990 0.0970 0.0980 0.1100 0.0510 0.0840 0.0670 0.0390 0.0620 0.0480 β-Estradiol-1 and/or 17α-Estradiol 0.0025 0.0017 0.0008 0.0021 0.0016 0.0019 0.0016 γ-Tocopherol 0.0130 0.0110 0.0120 0.0140 0.0069 0.0092 0.0140 0.0094 0.0049 0.0067 1,2-Dipalmitoyl-glycero-3-phosphoglycerol-1 0.0029 0.0031 0.0015 0.0014 0.0024 0.0023 0.0038 0.0067 0.0043 0.0020 1,2-Dipalmitoyl-glycero-3-phosphoglycerol-2 0.0026 0.0038 0.0037 0.0023 0.0035 0.0047 0.0011 0.0042 Apigenin 8-glucoside-1 0.0007 0.0004 0.0010 0.0003 0.0005 0.0004 0.0002 0.0003 Apigenin 8-glucoside-2 0.0005 0.0003 0.0001 Arachidic acid 0.0004 0.0003 0.0006 0.0007 0.0003 0.0007 0.0005 0.0004 0.0004 0.0013 Arachidonic acid 0.0160 0.0150 0.0410 0.0190 0.0300 0.0620 0.0210 0.0170 0.0170 0.0360 Asiatic acid-1 0.0005 Asiatic acid-2 0.0003 0.0013 0.0002 0.0003 0.0008 Asiatic acid-3 0.0003 Baicalein-1 0.0130 0.0400 0.0054 0.0390 0.0230 0.0690 0.0071 0.0046 0.0160 0.0013 Baicalein-2 0.0004 0.0010 0.0005 0.0028 0.0043 0.0008 0.0003 0.0002 0.0005 Behenic acid 0.0006 0.0005 0.0012 0.0009 0.0005 0.0008 0.0009 0.0005 0.0004 0.0012 Chenodeoxycholic acid 0.0045 0.0100 0.0330 0.0430 0.0320 0.0160 0.0140 0.0072 0.0095 0.0086 Cholesterol sulfate 0.0920 0.1000 0.1600 0.0970 0.1700 0.1400 0.1300 0.1600 0.1400 0.1900 Cholic acid 0.0570 0.0710 0.2800 0.2400 0.2700 0.2100 0.1600 0.1200 0.1400 0.1600 cis-11,14-Eicosadienoic acid 0.0006 0.0005 0.0009 0.0006 0.0006 0.0010 0.0006 0.0004 0.0005 0.0007 cis-11-Eicosenoic acid 0.0043 0.0039 0.0052 0.0073 0.0026 0.0067 0.0045 0.0030 0.0040 0.0093 cis-4,7,10,13,16,19-Docosahexaenoic acid 0.0140 0.0140 0.0300 0.0260 0.0230 0.0440 0.0180 0.0120 0.0190 0.0260 cis-5,8,11,14,17-Eicosapentaenoic acid 0.0041 0.0040 0.0089 0.0093 0.0067 0.0150 0.0047 0.0030 0.0050 0.0074 cis-8,11,14-Eicosatrienoic acid 0.0017 0.0015 0.0042 0.0022 0.0036 0.0046 0.0022 0.0015 0.0020 0.0030 Daidzein 0.0006 0.0028 0.0022 0.0120 0.0068 0.0072 0.0008 0.0003 0.0009 0.0003 Deoxycholic acid 0.0130 0.0320 0.1200 0.0930 0.1800 0.1200 0.0630 0.0047 0.0052 0.0110 Eriodictyol 0.0003 Erucic acid 0.0022 0.0022 0.0031 0.0049 0.0013 0.0044 0.0027 0.0014 0.0020 0.0034 FA(14:3)-1 0.0002 0.0002 0.0003 0.0003 0.0003 0.0002 0.0003 0.0003 0.0003 FA(14:3)-2 0.0002 0.0003 0.0002 0.0002 0.0004 FA(15:0) 0.0011 0.0003 0.0008 0.0009 0.0002 0.0004 0.0015 0.0011 0.0005 0.0012 FA(16:2) 0.0002 0.0002 0.0003 FA(17:1) 0.0002 0.0002 0.0004 0.0003 0.0002 0.0003 0.0002 0.0002 0.0003 FA(19:1) 0.0002 0.0002 0.0002 0.0002 0.0002 FA(20:3) 0.0002 0.0004 0.0002 0.0003 0.0003 0.0004 0.0002 0.0002 0.0003 FA(22:4) 0.0003 0.0004 0.0005 0.0003 0.0006 0.0005 0.0003 0.0002 0.0003 0.0004 FA(22:5)-1 0.0005 0.0006 0.0010 0.0009 0.0008 0.0015 0.0007 0.0004 0.0007 0.0010 FA(22:5)-2 0.0012 0.0010 0.0017 0.0018 0.0013 0.0025 0.0010 0.0008 0.0013 0.0015 FA(22:5)-3 0.0002 0.0003 0.0002 0.0002 0.0004 0.0005 0.0002 0.0003 0.0002 FA(24:0) 0.0011 0.0009 0.0023 0.0015 0.0012 0.0013 0.0020 0.0013 0.0010 0.0017 FA(24:5) 0.0002 0.0003 0.0001 0.0003 0.0003 0.0003 0.0002 0.0002 0.0002 0.0002 FA(25:0) 0.0002 0.0003 0.0004 0.0002 0.0002 0.0003 0.0004 0.0002 0.0001 0.0003 FA(25:3) 0.0025 0.0017 0.0029 0.0040 0.0014 0.0034 0.0028 0.0010 0.0015 0.0014 FA(26:0) 0.0006 0.0005 0.0011 0.0009 0.0005 0.0007 0.0009 0.0006 0.0006 0.0009 Galangin 0.0004 0.0003 Genistein 0.0010 0.0042 0.0027 0.0180 0.0110 0.0110 0.0015 0.0006 0.0019 0.0005 Glycochenodeoxycholic acid 0.0002 0.0004 0.0007 0.0006 0.0008 0.0010 0.0005 0.0005 0.0005 Glycocholic acid 0.0052 0.0210 0.0350 0.0180 0.0300 0.0820 0.0290 0.0140 0.0130 0.0094 Glycodeoxycholic acid 0.0004 0.0003 0.0008 0.0011 Glycolithocholic acid 0.0002 Glycoursodeoxycholic acid 0.0002 0.0005 0.0006 0.0008 0.0007 Heneicosanoic acid, 19-Methylarachidic acid 0.0001 0.0001 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0006 Heptadecanoic acid-1 and/or FA(17:0)-1 0.0004 0.0003 0.0002 0.0002 0.0003 0.0004 Heptadecanoic acid-2 and/or FA(17:0)-2 0.0006 0.0005 0.0008 0.0006 0.0006 0.0009 0.0007 0.0008 0.0005 0.0008 Hyodeoxycholic acid 0.0036 0.0079 0.0320 0.0180 0.0400 0.0160 0.0250 0.0023 0.0039 0.0580 Kaempferol and/or Datiscetin 0.0001 0.0002 0.0003 0.0004 0.0002 Linoleic acid 0.0470 0.0460 0.0670 0.0850 0.0490 0.1100 0.0440 0.0240 0.0440 0.0510 Linolenic acid 0.0024 0.0023 0.0028 0.0053 0.0021 0.0050 0.0022 0.0010 0.0025 0.0020 Lithocholic acid 0.0003 0.0003 0.0009 0.0005 0.0005 0.0004 0.0008 0.0003 0.0004 LPE(18:1)-1 0.0036 0.0040 0.0087 0.0043 0.0150 0.0096 0.0023 0.0013 0.0069 0.0055 LPE(18:1)-2 0.0010 0.0003 0.0014 0.0008 0.0004 0.0005 LPG(16:0)-1 0.0320 0.0210 0.0110 0.0130 0.0150 0.0170 0.0110 0.0055 0.0150 0.0053 LPG(16:0)-2 0.0025 0.0016 0.0045 0.0018 0.0018 0.0022 0.0010 0.0008 0.0012 0.0012 LPG(18:1)-1 0.0010 0.0012 0.0020 0.0021 0.0020 0.0056 0.0008 0.0008 0.0024 0.0009 LPG(18:1)-2 0.0091 0.0130 0.0041 0.0044 0.0028 0.0038 0.0033 0.0013 0.0038 0.0014 LPS(18:0) 0.0090 0.0170 0.0440 0.0120 0.0350 0.0370 0.0100 0.0067 0.0140 0.0130 Luteolin 0.0004 Luteolin 7-glucoside-1 0.0003 Luteolin 7-glucoside-2 0.0011 0.0004 0.0012 0.0017 0.0018 0.0006 0.0014 Luteolin 7-glucoside-3 0.0014 0.0002 0.0009 0.0018 0.0024 0.0006 0.0010 Myristic acid 0.0002 0.0003 0.0005 0.0004 0.0003 0.0004 0.0003 0.0003 0.0003 0.0006 Naringenin-1 0.0003 Naringenin-2 0.0001 0.0003 0.0003 0.0005 0.0002 Naringenin-3 0.0003 0.0023 0.0015 0.0120 0.0018 0.0020 0.0004 0.0005 Naringenin-4 0.0034 0.0002 0.0003 Nervonic acid-1 0.0013 0.0012 0.0023 0.0023 0.0011 0.0021 0.0025 0.0010 0.0010 0.0020 Nervonic acid-2 0.0002 Oleic acid 0.0240 0.0220 0.0280 0.0360 0.0180 0.0390 0.0210 0.0130 0.0210 0.0220 Palmitic acid 0.0130 0.0120 0.0180 0.0210 0.0110 0.0240 0.0180 0.0120 0.0110 0.0200 Palmitoleic acid 0.0010 0.0009 0.0016 0.0016 0.0010 0.0018 0.0012 0.0011 0.0014 0.0019 Pentadecanoic acid 0.0004 0.0003 0.0005 0.0003 0.0003 0.0004 0.0004 0.0005 0.0003 0.0006 Ricinoleic acid 0.0860 0.0680 0.3200 0.2900 0.1200 0.2300 0.2000 0.0530 0.0980 0.0860 Stearic acid 0.0100 0.0100 0.0150 0.0120 0.0140 0.0200 0.0110 0.0110 0.0100 0.0180 Stearidonic acid 0.0002 0.0002 0.0003 0.0004 0.0003 0.0002 0.0002 0.0002 Taurochenodeoxycholic acid 0.0130 0.1300 0.1400 0.1000 0.1800 0.1700 0.0470 0.0160 0.0550 0.0022 Taurocholic acid 0.0250 0.3200 0.2000 0.1400 0.2400 0.4700 0.1200 0.0500 0.0640 0.0150 Taurodeoxycholic acid 0.0016 0.1300 0.0220 0.0120 0.1300 0.1500 0.0076 Taurolithocholic acid 0.0030 0.0039 0.0013 0.0051 0.0037 0.0011 Taurolithocholic acid 3-sulfate 0.0005 0.0005 0.0008 0.0005 0.0007 Tauroursodeoxycholic acid 0.0042 0.1800 0.0510 0.0220 0.1600 0.1500 0.0200 0.0019 0.0019 0.0029 Tricosanoic acid 0.0003 0.0004 0.0005 0.0004 0.0003 0.0004 0.0006 0.0003 0.0002 0.0003 Ursodeoxycholic acid 0.0024 0.0110 0.0057 0.0150 0.0190 0.0270 0.0085 0.0006 0.0011 0.0011 metabolite_name PubChem ID quantitated m/z retention time 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1 445468 692.535 16.44 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2 445468 692.524 16.52 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-3 445468 692.532 16.39 1,2-Distearoyl-glycero-3-phosphocholine 94190 790.632 17.06 1-Myristoyl-glycero-3-phosphocholine-1 460604 468.315 12.06 1-Myristoyl-glycero-3-phosphocholine-2 460604 468.313 12.23 1-Myristoyl-glycero-3-phosphocholine-3 460604 468.316 11.83 1-Myristoyl-glycero-3-phosphoethanolamine 9547070 426.265 12.33 1-Oleoyl-glycero-3-phosphocholine-1 5280634 522.361 13.05 1-Oleoyl-glycero-3-phosphocholine-2 5280634 522.362 13.19 1-Palmitoyl-glycero-3-phosphocholine-1 460602 496.345 12.88 1-Palmitoyl-glycero-3-phosphocholine-2 498.351 13.03 1-Palmitoyl-glycero-3-phosphoethanolamine-1 and/or LPE(16:0)-1 454.297 13.02 1-Palmitoyl-glycero-3-phosphoethanolamine-2 and/or LPE(16:0)-2 454.297 13.15 1-Stearoyl-glycero-3-phosphocholine-1 and/or 1-Hexadecyl-2-acetyl-glycero-3-phosphocholine 524.376 13.63 1-Stearoyl-glycero-3-phosphocholine-2 525.381 13.77 18-Hydroxycorticosterone 11222 363.218 8.11 19-Hydroxyandrostenedione 252379 303.201 8.32 19-Hydroxytestosterone-1 150968 305.207 8.13 19-Hydroxytestosterone-2 150968 305.212 8.4 2-Arachidonoylglycerol 5282280 379.288 13.51 20α-Hydroxyprogesterone 8956 317.251 10.91 5-Methoxyindoleacetic acid-1 18986 206.084 6.78 5-Methoxyindoleacetic acid-2 18986 206.084 7.27 5-Methoxyindoleacetic acid-3 18986 206.084 7.04 5α-Cholestan-3-one-1 92128 387.366 16.28 5α-Cholestan-3-one-2 92128 387.368 16.19 5α-Cholestan-3-one-3 92128 387.369 16.09 7-Dehydrocholesterol-1 and/or Desmosterol 367.333 15.86 7-Dehydrocholesterol-2 439423 367.339 16.11 AC(12:0)-1 0 344.285 9.96 AC(12:0)-2 0 344.284 9.72 AC(12:1)-1 0 342.268 9.56 AC(12:1)-2 0 342.27 9.46 AC(13:1) 0 356.271 9.73 AC(14:0) 0 372.313 10.76 AC(14:1)-1 0 370.299 10.25 AC(14:1)-2 0 370.299 10.33 AC(14:1)-3 0 370.301 10.17 AC(14:2) 0 368.282 9.86 AC(15:0)-1 0 386.329 11.15 AC(15:0)-2 0 386.331 11.01 AC(16:1) 0 398.331 11.01 AC(16:2) 0 396.314 10.56 AC(17:0) 0 414.357 11.89 AC(18:0) 0 428.378 12.23 AC(18:1) 0 426.362 11.69 AC(18:2) 0 424.348 11.23 AC(20:0) 0 456.41 12.91 AC(20:1) 0 454.391 12.34 AC(22:0) 0 484.44 13.57 AEA(18:3) 0 322.275 12.87 AEA(20:5) 0 346.282 12.9 AEA(22:6) 0 372.296 13.27 Astaxanthin 5281224 597.399 14.01 Baicalin 64982 447.097 8.11 Biotin 171548 245.098 5.83 Campesterol 173183 383.371 16.26 Cepharanthine 10206 304.146 6.02 Cholesterol 5997 369.356 16.11 Chrysoeriol 5280666 301.066 9.08 Cortexolone, Corticosterone and/or 21-Deoxycortisol 347.224 9.07 Cycloartenol-1 92110 409.388 16.59 Cycloartenol-2 and/or Lanosterol-2 409.383 16.37 Dehydroisoandrosterone 5881 271.211 10.02 Diosgenin 99474 415.322 14.1 Eleutheroside B 5316860 390.179 5.73 Ergocalciferol-1 5280793 397.34 15.6 Ergocalciferol-2 5280793 397.344 15.85 Estrone 5870 271.171 10.04 Ethyl arachidonate 5367369 333.286 15.04 Formononetin 5280378 269.082 9.48 Glycitein 5317750 285.08 8.21 Hecogenin-1 91453 431.317 12.11 Hecogenin-2 91453 431.321 12.61 Isoliquiritigenin 638278 257.085 9.26 Kynurenic acid 3845 190.053 5.98 Lactosylceramide(d18:1/24:1)-1 0 972.735 16.92 Lactosylceramide(d18:1/24:1)-2 0 972.74 17.05 Lanosterol-1 246983 409.393 15.98 Linoleyl ethanolamide 5283446 324.293 13.31 Liquiritigenin-1 114829 257.075 8.26 Liquiritigenin-2 114829 257.083 8.01 LPC(24:0) 24779481 608.471 15.61 LysoPAF(16:0) 0 482.363 13.34 N-Acetylsphingosine-1 5497136 342.304 13.38 N-Acetylsphingosine-2 5497136 342.306 13.57 Oleoyl ethanolamide and/or AEA(18:1) 326.309 13.81 Ouabain 439501 585.298 6.03 PAF(17:0)-1 0 538.392 14.13 PAF(17:0)-2 0 538.393 14.01 Palmitoylcarnitine 11953816 400.346 11.52 Palmitoylethanolamide 4671 300.293 13.64 Phytosphingosine 122121 318.305 10.92 Prostaglandin E1-1 and/or Prostaglandin D1-1 372.267 10.03 Prostaglandin E1-2 and/or Prostaglandin D1-2 372.267 9.81 Riboflavin 493570 377.148 6.04 Saponarin-1 441381 595.169 6.6 Saponarin-2 441381 595.163 6.82 Saponarin-3 441381 595.177 6.36 Sitosterol 222284 397.387 16.42 Sphinganine 91486 302.309 11.19 Sphinganine(d20:0) 0 330.334 11.89 Sphingomyelin(d18:1/16:0)-1 5283590 703.582 16.03 Sphingomyelin(d18:1/16:0)-2 5283590 703.576 16.27 Sphingomyelin(d18:1/18:0)-1 5283588 731.604 16.42 Sphingomyelin(d18:1/18:0)-2 5283588 731.592 16.28 Sphingosine 5280335 300.294 11.01 Sphingosine(d20:1) 0 328.324 11.72 Stearoyl ethanolamide 27902 328.324 14.39 Stigmasterol-1 5280794 395.371 16.28 Stigmasterol-2 5280794 395.372 16.1 Testosterone-1 6013 289.215 10.27 Testosterone-2 6013 289.223 9.94 Trilaurin 10851 656.594 17.57 α-Tocopherol 14985 431.39 16.31 α-Tocopherol acetate 86472 490.431 16.55 β-Estradiol-1 and/or 17α-Estradiol 273.19 10.31 γ-Tocopherol 92729 417.375 16.12 1,2-Dipalmitoyl-glycero-3-phosphoglycerol-1 446440 721.504 18.06 1,2-Dipalmitoyl-glycero-3-phosphoglycerol-2 446440 721.513 17.88 Apigenin 8-glucoside-1 5280441 431.101 7.07 Apigenin 8-glucoside-2 5280441 431.102 6.62 Arachidic acid 10467 311.298 15.79 Arachidonic acid 444899 303.236 14.13 Asiatic acid-1 119034 487.341 11.65 Asiatic acid-2 119034 487.35 11.25 Asiatic acid-3 119034 487.354 11.77 Baicalein-1 5281605 269.049 9.49 Baicalein-2 5281605 269.05 9.26 Behenic acid 8215 339.33 16.26 Chenodeoxycholic acid 10133 391.289 11.82 Cholesterol sulfate 65076 465.309 16.88 Cholic acid 221493 409.292 10.92 cis-11,14-Eicosadienoic acid 6439848 307.268 14.83 cis-11-Eicosenoic acid 5282768 309.283 15.29 cis-4,7,10,13,16,19-Docosahexaenoic acid 445580 327.237 14.03 cis-5,8,11,14,17-Eicosapentaenoic acid 446284 301.221 13.71 cis-8,11,14-Eicosatrienoic acid 5280581 305.252 14.42 Daidzein 5281708 253.053 8.26 Deoxycholic acid 222528 391.29 11.96 Eriodictyol 440735 287.056 7.97 Erucic acid 5281116 337.315 15.81 FA(14:3)-1 0 221.158 12.51 FA(14:3)-2 0 221.157 12.38 FA(15:0) 0 241.22 14.07 FA(16:2) 0 251.203 13.52 FA(17:1) 0 267.232 14.34 FA(19:1) 0 295.263 14.99 FA(20:3) 0 305.252 14.59 FA(22:4) 0 331.267 14.64 FA(22:5)-1 0 329.244 14.03 FA(22:5)-2 0 329.253 14.25 FA(22:5)-3 0 329.252 14.43 FA(24:0) 0 367.361 16.68 FA(24:5) 0 357.281 14.81 FA(25:0) 0 381.377 16.88 FA(25:3) 0 375.329 15.7 FA(26:0) 0 395.392 17.09 Galangin 5281616 269.046 10.29 Genistein 5280961 269.049 8.93 Glycochenodeoxycholic acid 12544 448.309 11.05 Glycocholic acid 10140 464.306 10.26 Glycodeoxycholic acid 3035026 448.309 11.3 Glycolithocholic acid 115245 432.313 11.97 Glycoursodeoxycholic acid 12310288 448.306 10.17 Heneicosanoic acid, 19-Methylarachidic acid 325.311 16.04 Heptadecanoic acid-1 and/or FA(17:0)-1 269.249 14.8 Heptadecanoic acid-2 and/or FA(17:0)-2 269.25 14.92 Hyodeoxycholic acid 5283820 391.289 11.05 Kaempferol and/or Datiscetin 285.042 9.27 Linoleic acid 5280450 279.237 14.19 Linolenic acid 5280934 277.22 13.75 Lithocholic acid 9903 375.294 12.76 LPE(18:1)-1 0 478.297 13.31 LPE(18:1)-2 0 478.297 13.18 LPG(16:0)-1 0 483.277 15.2 LPG(16:0)-2 0 483.276 15.07 LPG(18:1)-1 0 509.292 15.21 LPG(18:1)-2 0 509.291 15.32 LPS(18:0) 0 524.301 15.51 Luteolin 5280445 285.045 8.71 Luteolin 7-glucoside-1 5280637 447.087 7.23 Luteolin 7-glucoside-2 5280637 447.097 7.57 Luteolin 7-glucoside-3 5280637 447.097 7.09 Myristic acid 11005 227.205 13.82 Naringenin-1 439246 271.055 8.91 Naringenin-2 439246 271.063 8.82 Naringenin-3 439246 271.065 8.53 Naringenin-4 439246 271.067 9.18 Nervonic acid-1 5281120 365.346 16.24 Nervonic acid-2 5281120 365.347 16.51 Oleic acid 445639 281.252 14.68 Palmitic acid 985 255.236 14.57 Palmitoleic acid 445638 253.22 13.97 Pentadecanoic acid 13849 241.22 14.21 Ricinoleic acid 643684 297.248 12.48 Stearic acid 5281 283.268 15.23 Stearidonic acid 5312508 275.204 13.37 Taurochenodeoxycholic acid 387316 498.294 12.36 Taurocholic acid 46783527 516.291 11.49 Taurodeoxycholic acid 92042745 498.294 12.68 Taurolithocholic acid 439763 482.297 13.34 Taurolithocholic acid 3-sulfate 440071 562.262 14.61 Tauroursodeoxycholic acid 12443252 498.293 11.33 Tricosanoic acid 17085 353.345 16.47 Ursodeoxycholic acid 31401 391.288 10.9