Clustering data with hclust algorithm for (Study ST004133)
HILIC NEGATIVE ION MODE (Analysis AN006852)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 | F48 | F49 | F50 | F51 | F52 | F53 | F54 | F55 | F56 | F57 | F58 | F59 | F60 | F61 | F62 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| cinnamoylglycine | ME1100936 | 3.31 | 0.01 | 5.62 | NA | 4.01 | NA | NA | 4.84 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0.05 | NA | 0.02 | 0.01 | 0.01 | 0.01 | NA | NA | NA | 0.01 | NA | 0.03 | 0.01 | NA | 0.02 | NA | NA | 0.03 | 0.03 | 6.86 | 0.03 | 5.31 | NA | 0.01 | 7.68 | 5.27 | 0.02 | 0.01 | 0.01 | NA | 0.01 | 0.03 | 0.24 | 0.01 | 0.02 | NA | 0.01 | NA | NA | 0.02 | NA | 0.02 | 0.06 | 0.20 | NA | 0.01 | 0.01 | 0.02 | 0.01 |
| hippurate | ME1100965 | 6.89 | 0.34 | 6.68 | 0.34 | 5.88 | 0.21 | 0.42 | 4.32 | 0.23 | 0.16 | 0.11 | 0.33 | 0.06 | 0.10 | 0.23 | 0.18 | 0.09 | 0.20 | 0.09 | 0.05 | 0.06 | 0.26 | 0.54 | 0.37 | 0.16 | 0.10 | 0.20 | 0.11 | 0.08 | 0.15 | 0.28 | 0.36 | 6.50 | 0.31 | 6.33 | 0.14 | 0.47 | 4.14 | 7.17 | 0.14 | 0.14 | 0.29 | NA | 0.12 | 0.29 | 0.26 | 0.35 | 0.18 | NA | 0.11 | NA | 0.23 | 0.47 | 0.40 | 0.16 | 0.10 | 0.18 | 0.11 | 0.24 | 0.16 | 0.29 | 0.18 |
| IMP | ME1100972 | 0.45 | 3.43 | 0.42 | 0.03 | 0.14 | 0.02 | 0.54 | 0.44 | 0.05 | 0.29 | 0.30 | 1.29 | 1.67 | 1.95 | 0.08 | 2.45 | 0.85 | 0.64 | 1.13 | 0.51 | 0.35 | 0.20 | 0.93 | 1.22 | 12.32 | 0.62 | 0.87 | NA | 0.51 | 3.35 | 0.57 | NA | 0.20 | 1.86 | 0.31 | 2.56 | 0.10 | 0.12 | 5.26 | 0.11 | 0.07 | 0.02 | NA | NA | 0.42 | 1.72 | 0.45 | NA | NA | 0.14 | NA | 0.65 | 0.13 | 0.26 | 0.15 | NA | 0.49 | 0.05 | 0.48 | 0.13 | 0.55 | 0.20 |
| indoxylsulfate | ME1100975 | 2.96 | 0.22 | 0.76 | 2.85 | 0.71 | 0.08 | 0.41 | 0.26 | 0.25 | 0.01 | 0.83 | 0.01 | 0.66 | 0.17 | 0.05 | NA | 0.13 | NA | 0.01 | 1.15 | 0.26 | 0.16 | 0.21 | 0.04 | NA | NA | NA | NA | NA | NA | NA | 0.02 | 3.77 | 1.82 | 3.33 | 2.00 | 2.57 | 7.54 | 1.50 | 0.40 | 0.02 | 0.00 | NA | 0.01 | 0.04 | 5.66 | NA | 0.01 | NA | 0.04 | NA | 0.03 | 0.05 | 0.01 | NA | NA | NA | NA | NA | NA | NA | NA |
| mucate/saccarate | ME1100988 | 1.78 | 0.17 | 1.04 | 0.70 | 1.73 | 3.29 | NA | 6.05 | NA | NA | NA | NA | 0.15 | 0.21 | 0.22 | 0.13 | NA | NA | 0.23 | 0.34 | 0.09 | NA | NA | NA | 0.14 | 0.84 | 0.31 | 0.22 | 0.22 | NA | 0.35 | 0.23 | 1.87 | 0.52 | 1.37 | 1.90 | 0.19 | 10.71 | 1.17 | 0.84 | 0.12 | 0.94 | NA | 0.24 | 0.60 | NA | NA | 0.11 | NA | 0.39 | NA | NA | NA | 0.10 | 0.16 | 0.44 | 0.17 | 1.13 | 0.53 | NA | 0.09 | 0.96 |
| butyrate | ME1100931 | 0.36 | 0.30 | 0.30 | 0.29 | 0.48 | 0.27 | 0.31 | 0.18 | 0.30 | 0.26 | 0.36 | 0.40 | 0.43 | 0.62 | 0.31 | 0.27 | 0.21 | 0.25 | 0.25 | 0.15 | 0.34 | 0.17 | 0.39 | 0.23 | 0.46 | 0.43 | 0.34 | 0.33 | 0.45 | 0.42 | 0.41 | 6.83 | 1.73 | 8.53 | 2.06 | 1.13 | 3.18 | 1.12 | 4.38 | 1.13 | 3.02 | 0.62 | NA | 1.86 | 0.60 | 0.71 | 2.24 | 0.87 | NA | 0.45 | NA | 0.47 | 1.31 | 0.85 | 0.76 | 0.47 | 0.86 | 0.78 | 1.26 | 0.27 | 0.61 | 0.63 |
| isovalerate/valerate/methylbutyrate | ME1100978 | NA | 0.46 | 0.23 | 0.33 | 0.44 | 0.27 | 0.56 | 0.15 | 0.60 | 0.51 | 0.70 | 0.59 | 1.03 | 1.02 | 0.65 | 0.49 | 0.39 | 0.26 | 0.20 | 0.25 | 0.42 | 0.18 | 0.88 | 0.31 | 0.53 | 0.63 | 0.83 | 0.43 | 0.66 | 0.10 | 0.36 | 6.10 | 0.36 | 5.28 | 1.37 | 0.30 | 1.92 | 0.17 | 1.95 | 0.56 | 6.33 | 0.80 | NA | 3.09 | 0.48 | 0.63 | 4.92 | 0.53 | NA | 0.36 | NA | 0.72 | 0.86 | 1.13 | 0.70 | 0.65 | 0.78 | 0.53 | 1.09 | 0.31 | 0.69 | 0.90 |
| ascorbate | ME1100926 | 1.37 | 0.77 | 1.50 | 1.25 | 2.06 | 0.87 | 2.04 | 1.54 | 0.19 | 0.22 | 0.19 | 0.70 | 0.35 | 0.49 | 0.18 | 0.31 | 0.47 | 3.28 | 0.23 | 0.17 | 0.25 | 0.58 | 8.16 | 0.24 | 0.19 | 0.15 | 0.21 | 0.16 | 0.30 | 1.64 | 2.58 | 0.67 | 1.48 | 0.93 | 2.30 | 0.72 | 2.35 | 1.92 | 1.25 | 0.33 | 0.40 | 0.20 | NA | 0.35 | 0.21 | 0.21 | 0.70 | 3.17 | NA | 0.15 | NA | 0.36 | 4.71 | 0.26 | 0.32 | 0.19 | 0.17 | 0.29 | 0.18 | 0.98 | 1.36 | 0.19 |
| CMP | ME1100939 | NA | 0.20 | 0.33 | NA | NA | 0.21 | 0.12 | 0.08 | 0.07 | NA | NA | NA | 0.13 | 0.54 | 0.14 | 0.13 | NA | 0.07 | 0.35 | 0.32 | 0.03 | 0.09 | 0.19 | 0.76 | 3.42 | 0.37 | 0.25 | 0.02 | NA | 0.81 | 0.09 | 0.70 | 2.75 | 0.81 | 0.03 | 3.13 | 2.42 | 0.72 | 0.03 | 0.71 | 2.71 | 1.15 | NA | 0.95 | NA | 0.42 | 0.82 | 0.30 | NA | 2.65 | NA | 0.42 | 2.80 | 3.36 | 0.97 | 0.82 | 0.40 | 0.10 | 1.59 | 4.07 | 1.40 | 5.05 |
| taurocholate | ME1101011 | 0.00 | 0.01 | 0.04 | 0.00 | 0.24 | 0.32 | 0.05 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 1.45 | 1.88 | 0.01 | 0.36 | 0.00 | 0.01 | 0.00 | 2.90 | 0.01 | 0.97 | 0.00 | 0.04 | 0.32 | 0.01 | 0.05 | 0.02 | 0.11 | 5.49 | 0.04 | 0.45 | 0.69 | 0.22 | 1.43 | 0.44 | 0.41 | 0.41 | 0.97 | 0.39 | 1.34 | 1.00 | NA | 1.14 | 0.04 | 0.18 | 1.65 | 0.48 | NA | 3.61 | NA | 1.00 | 0.42 | 2.38 | 1.12 | 3.53 | 2.07 | 1.66 | 3.91 | 7.09 | 2.39 | 4.20 |
| taurodeoxycholate/taurochenodeoxycholate | ME1101012 | 0.02 | 0.04 | 0.05 | 0.01 | 0.20 | 0.35 | 0.07 | 0.02 | 0.03 | 0.01 | 0.03 | 0.04 | 2.43 | 3.30 | 0.06 | 0.34 | 0.01 | 0.04 | 0.02 | 1.64 | 0.02 | 0.84 | 0.02 | 0.07 | 0.24 | 0.03 | 0.04 | 0.05 | 0.09 | 3.08 | 0.06 | 0.56 | 1.14 | 0.38 | 2.17 | 0.73 | 0.73 | 0.56 | 1.73 | 0.68 | 2.79 | 2.11 | NA | 1.66 | 0.27 | 0.34 | 2.42 | 0.74 | NA | 1.98 | NA | 1.04 | 0.71 | 3.07 | 1.34 | 2.25 | 1.59 | 0.90 | 4.11 | 4.08 | 2.38 | 3.32 |
| methylcysteine | ME1100986 | NA | 0.73 | NA | 0.09 | 0.10 | 0.11 | 0.19 | 0.04 | NA | 1.68 | 0.79 | 1.09 | 2.59 | 4.56 | 0.53 | 0.62 | 2.64 | 2.55 | 3.90 | 0.75 | 3.77 | 0.34 | 0.15 | 0.76 | 1.61 | 3.15 | 0.80 | 1.67 | 3.52 | NA | 0.25 | 0.24 | NA | NA | NA | 0.14 | 0.14 | NA | NA | 0.53 | 0.74 | 0.41 | NA | 0.85 | 0.04 | NA | 0.04 | 0.30 | NA | 0.06 | NA | NA | 0.41 | 1.37 | 0.40 | 0.06 | NA | 0.30 | 0.10 | NA | 0.70 | 0.17 |
| 2-isopropylmalate | ME1100905 | 2.19 | 2.05 | 1.98 | 0.95 | 1.65 | 1.47 | 3.39 | 1.08 | 0.33 | 0.30 | 0.41 | 0.26 | 0.19 | 0.25 | 0.34 | 0.29 | 0.27 | 0.15 | 0.76 | 1.93 | 1.05 | 0.21 | 0.77 | 1.13 | 0.31 | 0.22 | 0.24 | 0.25 | 0.23 | 0.68 | 0.64 | 3.19 | 3.81 | 1.34 | 2.47 | 1.76 | 5.12 | 1.77 | 3.73 | 0.28 | 0.41 | 0.34 | NA | 0.34 | 0.57 | 0.65 | 0.46 | 0.22 | NA | 1.46 | NA | 0.16 | 0.66 | 1.09 | 0.17 | 0.26 | 0.43 | 0.38 | 0.56 | 0.53 | 0.51 | 0.36 |
| hypoxanthine | ME1100970 | 0.11 | 0.42 | 0.92 | 3.89 | 0.81 | 1.99 | 1.83 | 1.28 | 1.43 | 2.04 | 2.24 | 0.02 | 1.85 | 1.02 | 1.02 | 0.09 | 0.84 | 0.18 | 2.07 | 0.98 | 3.70 | 0.04 | 1.44 | 1.73 | 2.05 | 1.94 | 0.51 | 1.74 | 1.38 | 0.96 | 0.67 | 0.03 | 0.22 | 0.17 | 0.65 | 0.98 | 0.47 | 0.28 | 0.06 | 0.29 | NA | NA | NA | NA | 0.54 | 1.42 | NA | NA | NA | NA | NA | NA | NA | 0.01 | 0.01 | NA | 0.33 | 0.28 | 0.06 | NA | NA | NA |
| inosine | ME1100976 | 0.38 | 0.32 | 0.70 | 4.27 | 0.59 | 1.16 | 1.08 | 1.08 | 1.77 | 1.25 | 3.69 | 0.08 | 3.42 | 1.59 | 0.95 | 0.07 | 1.26 | 0.24 | 2.21 | 1.18 | 5.13 | 0.11 | 1.45 | 1.63 | 1.69 | 2.02 | 0.45 | 1.30 | 0.91 | 0.80 | 0.61 | 0.00 | 0.25 | 0.11 | 0.53 | 0.46 | 0.25 | 0.18 | 0.10 | 0.10 | NA | 0.00 | NA | NA | 0.06 | 2.22 | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.23 | 0.12 | 0.00 | 0.01 | NA | NA |
| furosemide | ME1100951 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.81 | 1.67 | 2.07 | 0.21 | 0.87 | 1.02 | 0.75 | 1.61 | NA | 1.26 | 2.30 | 0.67 | 0.88 | NA | 0.48 | 1.45 | 4.40 | 0.12 | 1.38 | 0.85 | 0.69 | 0.26 | NA | NA | NA | NA | NA | 0.21 | NA | NA | 0.25 | 0.95 | 0.26 | NA | NA | 0.10 | 0.65 | 0.62 | NA | NA | 0.50 | NA | NA | NA | 0.45 | NA | NA | 2.47 | 1.86 | NA | 0.42 | 0.82 | 0.65 |
| eicosapentaenoate | ME1100946 | 5.34 | 2.77 | 2.25 | 2.47 | 3.48 | 2.23 | 2.03 | 2.19 | 0.57 | 0.85 | 0.93 | 0.35 | 0.83 | 1.25 | 0.93 | 0.68 | 1.01 | 0.48 | 0.73 | 1.23 | 1.12 | 0.26 | 0.57 | 0.53 | 0.85 | 0.77 | 0.52 | 1.24 | 0.65 | 0.76 | 0.80 | 1.73 | 0.75 | 1.15 | 0.96 | 0.93 | 0.70 | 0.66 | 2.18 | 0.28 | 0.68 | 0.54 | NA | 0.40 | 0.33 | 0.60 | 0.29 | 0.30 | NA | 0.77 | NA | 0.16 | 0.37 | 0.30 | 0.66 | 0.52 | 0.68 | 0.24 | 0.34 | 0.43 | 0.52 | 0.88 |
| sucrose/lactose/trehalose | ME1101009 | 0.41 | 0.59 | 0.58 | 0.52 | 0.46 | 1.30 | 0.44 | 0.69 | 1.08 | 0.79 | 0.35 | 0.87 | 0.54 | 0.39 | 0.65 | 0.38 | 0.40 | 0.98 | 0.34 | 0.26 | 0.30 | 0.65 | 2.02 | 2.11 | 0.57 | 0.34 | 1.05 | 0.27 | 0.49 | 0.98 | 1.22 | 0.39 | 0.89 | 5.25 | 0.46 | 3.26 | 1.48 | 1.63 | 1.18 | 1.48 | 0.96 | 0.78 | NA | 0.36 | 1.20 | 1.00 | 0.93 | 1.20 | NA | 0.26 | NA | 0.66 | 2.56 | 2.84 | 0.47 | 0.89 | 0.93 | 1.00 | 2.42 | 0.64 | 1.38 | 0.46 |
| DHAP/glyceraldehyde 3P | ME1100944 | 1.29 | 1.23 | 2.59 | 0.37 | 1.33 | 2.51 | 0.95 | 0.75 | 0.30 | 0.64 | 0.61 | 0.97 | 0.45 | 0.47 | 0.97 | 0.68 | 0.56 | 0.41 | 1.09 | 0.75 | 0.91 | 0.63 | 0.41 | 0.76 | 1.63 | 2.09 | 0.98 | 0.99 | 0.94 | 1.07 | 1.02 | 1.05 | 3.23 | 0.69 | 1.34 | 1.00 | 0.87 | 1.50 | 3.79 | 0.54 | 0.83 | 0.83 | NA | 0.09 | 1.63 | 0.73 | 0.78 | 0.35 | NA | 0.43 | NA | 0.09 | 0.19 | 0.82 | 1.23 | 0.43 | 2.45 | 1.24 | 0.62 | 0.74 | 0.51 | 0.66 |
| pentose monophosphate | ME1100996 | 1.20 | 0.93 | 1.29 | 1.29 | 1.21 | 1.42 | 0.96 | 1.34 | 1.41 | 1.14 | 1.75 | 0.69 | 1.97 | 2.26 | 1.40 | 1.00 | 1.60 | 1.49 | 1.94 | 1.52 | 1.90 | 0.89 | 1.41 | 1.70 | 2.01 | 1.63 | 1.33 | 1.46 | 1.11 | 1.64 | 1.26 | 0.34 | 0.54 | 0.61 | 1.30 | 0.87 | 0.60 | 0.60 | 1.02 | 0.40 | 0.39 | 0.38 | NA | 0.20 | 0.34 | 1.60 | 0.23 | 0.20 | NA | 0.32 | NA | 0.19 | 0.29 | 0.37 | 0.43 | 0.24 | 1.61 | 0.51 | 0.36 | 0.39 | 0.23 | 0.28 |
| UMP | ME1101018 | 1.62 | 1.65 | 1.58 | 1.03 | 1.13 | 1.39 | 1.72 | 1.59 | 0.78 | 1.07 | 1.48 | 1.24 | 1.41 | 1.33 | 2.00 | 1.56 | 1.18 | 1.95 | 1.85 | 1.14 | 1.44 | 1.29 | 1.09 | 1.62 | 2.21 | 1.96 | 1.31 | 1.23 | 1.47 | 1.15 | 1.47 | 0.17 | 0.44 | 0.39 | 1.69 | 0.56 | 0.39 | 0.15 | 2.11 | 0.10 | 0.40 | 0.10 | NA | 0.11 | 0.09 | 1.88 | 0.07 | 0.01 | NA | 0.38 | NA | 0.02 | 0.41 | 0.47 | 0.36 | 0.11 | 2.35 | 0.07 | 0.29 | 0.31 | 0.24 | 0.38 |
| AMP | ME1100924 | 1.54 | 1.59 | 1.83 | 1.11 | 1.12 | 1.46 | 1.70 | 1.71 | 0.77 | 1.24 | 1.63 | 1.28 | 1.44 | 1.39 | 1.73 | 1.55 | 1.38 | 2.22 | 1.87 | 1.09 | 1.61 | 1.32 | 1.05 | 1.68 | 1.71 | 1.99 | 1.30 | 1.49 | 1.68 | 0.99 | 1.42 | 0.54 | 0.38 | 0.18 | 1.72 | 0.11 | 0.31 | 0.12 | 2.24 | 0.16 | 0.30 | 0.22 | NA | 0.14 | 0.18 | 1.38 | 0.16 | 0.12 | NA | 0.19 | NA | 0.13 | 0.32 | 0.34 | 0.65 | 0.05 | 2.19 | 0.17 | 0.17 | 0.19 | 0.21 | 0.23 |
| GMP | ME1100959 | 1.50 | 1.55 | 1.62 | 0.89 | 1.20 | 1.54 | 1.54 | 1.55 | 0.66 | 1.12 | 1.39 | 1.32 | 1.24 | 1.36 | 1.94 | 1.48 | 1.25 | 1.96 | 1.71 | 1.09 | 1.62 | 1.23 | 0.94 | 1.60 | 1.81 | 1.89 | 1.21 | 1.62 | 1.79 | 0.88 | 1.28 | 0.73 | 0.23 | NA | 1.80 | NA | 0.13 | 0.11 | 2.50 | 0.13 | 0.33 | 0.26 | NA | 0.09 | 0.16 | 1.56 | 0.13 | 0.11 | NA | 0.20 | NA | 0.09 | 0.26 | 0.37 | 1.03 | 0.04 | 2.31 | 0.15 | 0.00 | 0.13 | 0.19 | 0.18 |
| azelate | ME1100930 | 0.52 | 0.42 | 0.66 | 0.52 | 0.74 | 0.60 | 0.36 | 0.93 | 0.56 | 0.67 | 1.07 | 0.41 | 1.08 | 1.02 | 0.63 | 0.42 | 0.80 | 0.50 | 1.22 | 0.78 | 0.72 | 0.47 | 1.09 | 0.90 | 0.84 | 0.56 | 0.48 | 0.74 | 0.51 | 0.75 | 0.68 | 0.63 | 1.74 | 2.02 | 2.37 | 1.30 | 0.72 | 1.05 | 1.86 | 1.14 | 1.47 | 1.32 | NA | 0.97 | 1.31 | 2.17 | 0.92 | 0.78 | NA | 1.01 | NA | 0.59 | 0.89 | 1.07 | 0.82 | 1.34 | 2.35 | 1.08 | 3.46 | 0.57 | 1.07 | 1.31 |
| sebacate | ME1101004 | 1.32 | 0.74 | 1.42 | 0.63 | 2.30 | 0.94 | 0.70 | 0.68 | 0.46 | 0.59 | 0.68 | 0.51 | 0.76 | 0.87 | 0.57 | 0.51 | 0.85 | 0.52 | 0.73 | 0.70 | 0.74 | 0.94 | 0.72 | 0.59 | 0.98 | 0.69 | 0.47 | 0.71 | 0.51 | 0.80 | 0.63 | 0.88 | 2.22 | 1.37 | 3.28 | 1.60 | 1.07 | 0.99 | 2.02 | 0.96 | 1.30 | 1.02 | NA | 0.88 | 1.23 | 1.25 | 0.94 | 0.79 | NA | 0.93 | NA | 1.06 | 0.76 | 0.83 | 1.03 | 1.08 | 1.41 | 0.92 | 1.80 | 0.68 | 0.86 | 1.57 |
| cytidine | ME1100943 | 1.16 | 0.59 | 1.73 | 1.89 | 1.44 | 1.41 | 1.68 | 1.12 | 0.90 | 1.35 | 1.57 | 0.91 | 1.34 | 0.87 | 0.96 | 0.51 | 1.57 | 0.08 | 1.69 | 2.05 | 1.70 | 1.47 | 1.76 | 0.93 | 1.67 | 1.65 | 0.47 | 1.29 | 1.01 | 1.54 | 1.08 | 0.16 | 1.29 | 1.07 | 0.35 | 0.80 | 0.74 | 0.25 | 0.94 | 0.21 | 0.79 | 0.26 | NA | 0.32 | 0.52 | 0.33 | 0.98 | 0.04 | NA | 1.28 | NA | 0.66 | 1.51 | 0.32 | 1.52 | 0.26 | 0.99 | 0.66 | 0.46 | 1.08 | 0.13 | 1.71 |
| 5-dodecenoate | ME1100913 | 0.70 | 0.32 | 0.41 | 0.14 | 0.54 | 0.30 | 0.33 | 0.23 | 0.82 | 1.92 | 1.63 | 0.60 | 0.56 | 0.66 | 2.20 | 0.80 | 1.34 | 1.10 | 1.86 | 2.76 | 2.08 | 1.32 | 0.80 | 1.14 | 1.79 | 1.74 | 0.65 | 2.13 | 1.02 | 1.22 | 1.15 | 0.25 | 0.32 | 0.10 | 0.34 | 0.20 | 0.27 | 0.22 | 0.29 | 0.56 | 0.58 | 2.17 | NA | 0.76 | 1.64 | 1.55 | 0.60 | 1.01 | NA | 2.39 | NA | 1.16 | 0.72 | 1.11 | 0.93 | 0.49 | 1.74 | 1.05 | 0.63 | 1.10 | 0.76 | 1.80 |
| 2-aminooctanoate | ME1100902 | 1.16 | 1.33 | 1.25 | 1.34 | 1.19 | 0.98 | 1.39 | 0.73 | 1.06 | 1.74 | 1.90 | 0.86 | 0.87 | 0.76 | 1.69 | 0.99 | 1.17 | 1.12 | 1.28 | 1.92 | 1.62 | 1.05 | 1.45 | 0.94 | 1.58 | 1.05 | 0.62 | 1.47 | 0.76 | 0.72 | 0.94 | 0.87 | 0.72 | 0.91 | 0.74 | 0.67 | 0.94 | 0.39 | 0.70 | 0.49 | 0.53 | 1.31 | NA | 0.75 | 1.09 | 1.24 | 0.72 | 0.81 | NA | 1.40 | NA | 0.80 | 0.76 | 0.68 | 0.59 | 0.50 | 1.12 | 0.60 | 0.80 | 0.35 | 0.58 | 1.06 |
| 10Z-heptadecenoate | ME1100899 | 2.80 | 1.17 | 0.84 | 0.65 | 1.04 | 0.83 | 0.80 | 0.45 | 0.82 | 1.71 | 2.23 | 0.41 | 1.26 | 0.99 | 1.76 | 0.64 | 1.19 | 1.04 | 2.20 | 2.05 | 2.15 | 0.47 | 0.59 | 0.69 | 1.93 | 1.35 | 0.54 | 2.90 | 0.77 | 1.07 | 1.41 | 0.80 | 0.22 | 0.26 | 0.31 | 0.32 | 0.30 | 0.13 | 1.23 | 0.23 | 0.69 | 1.08 | NA | 0.76 | 0.88 | 1.18 | 0.30 | 0.89 | NA | 2.20 | NA | 0.30 | 0.57 | 0.51 | 0.68 | 0.43 | 1.71 | 0.28 | 0.39 | 0.81 | 1.17 | 1.60 |
| heptadecanoate | ME1100962 | 1.64 | 0.99 | 0.82 | 0.65 | 1.07 | 0.61 | 0.74 | 0.46 | 0.95 | 1.63 | 1.81 | 0.53 | 0.97 | 1.13 | 1.45 | 0.62 | 0.99 | 1.04 | 1.16 | 1.82 | 1.71 | 0.60 | 0.82 | 0.90 | 1.54 | 1.13 | 0.65 | 1.96 | 0.86 | 1.18 | 1.35 | 0.90 | 0.42 | 0.62 | 0.58 | 0.49 | 0.49 | 0.28 | 1.14 | 0.45 | 0.90 | 1.12 | NA | 0.83 | 1.13 | 1.40 | 0.58 | 1.11 | NA | 2.00 | NA | 0.53 | 0.83 | 0.76 | 0.90 | 0.75 | 1.73 | 0.53 | 0.72 | 1.04 | 1.23 | 1.77 |
| docosapentaenoate | ME1100945 | 2.71 | 1.58 | 1.15 | 0.87 | 1.65 | 1.01 | 1.08 | 0.97 | 1.05 | 1.44 | 1.66 | 0.51 | 1.17 | 1.66 | 1.52 | 0.92 | 1.38 | 0.82 | 1.18 | 2.10 | 1.97 | 0.66 | 0.88 | 0.79 | 1.44 | 1.15 | 0.74 | 1.68 | 0.86 | 1.53 | 1.00 | 0.91 | 0.35 | 0.37 | 0.46 | 0.43 | 0.34 | 0.26 | 1.11 | 0.33 | 1.02 | 0.77 | NA | 0.69 | 0.49 | 0.90 | 0.44 | 0.61 | NA | 1.66 | NA | 0.48 | 0.72 | 0.56 | 0.95 | 0.77 | 0.98 | 0.33 | 0.62 | 1.02 | 0.78 | 1.52 |
| pentadecanoate | ME1100995 | 2.55 | 1.91 | 1.42 | 0.85 | 1.36 | 0.92 | 1.30 | 0.58 | 0.78 | 1.31 | 1.51 | 0.60 | 0.93 | 1.08 | 1.15 | 0.58 | 0.95 | 0.81 | 1.31 | 1.64 | 1.53 | 0.69 | 0.70 | 0.90 | 1.41 | 1.03 | 0.64 | 1.73 | 0.86 | 1.16 | 1.24 | 1.22 | 0.58 | 1.03 | 0.75 | 0.74 | 0.77 | 0.48 | 1.24 | 0.49 | 0.81 | 0.87 | NA | 0.79 | 0.82 | 1.17 | 0.60 | 0.74 | NA | 1.35 | NA | 0.49 | 0.67 | 0.60 | 0.65 | 0.60 | 1.46 | 0.53 | 0.82 | 0.97 | 1.08 | 1.24 |
| corticosterone | ME1100940 | 1.50 | 0.94 | 1.28 | 0.55 | 0.70 | 0.61 | 0.42 | 0.90 | 1.03 | 1.39 | 2.06 | 0.70 | 1.16 | 1.98 | 1.89 | 0.95 | 0.58 | 1.08 | 1.34 | 2.16 | 1.54 | 0.41 | 1.05 | 0.52 | 2.18 | 1.15 | 1.32 | 1.70 | 0.57 | 1.58 | 1.17 | 0.51 | 0.98 | 0.03 | 0.34 | 0.49 | 0.36 | 0.64 | 0.95 | 0.87 | 1.03 | 1.82 | NA | 0.73 | 0.64 | 1.47 | 0.41 | 0.61 | NA | 1.86 | NA | 0.46 | 0.65 | 0.42 | 0.32 | 1.08 | 1.02 | 0.57 | 0.72 | 1.16 | 0.84 | 1.61 |
| indolelactate | ME1100974 | 1.54 | 0.57 | 1.08 | 0.76 | 0.99 | 0.56 | 0.71 | 0.87 | 0.77 | 0.93 | 1.37 | 0.75 | 1.21 | 1.32 | 0.99 | 0.38 | 0.87 | 0.50 | 0.68 | 2.88 | 1.69 | 0.86 | 0.95 | 0.67 | 1.45 | 1.64 | 1.08 | 1.39 | 0.65 | 1.76 | 0.81 | 0.34 | 1.58 | 0.29 | 1.46 | 0.65 | 1.19 | 1.44 | 1.16 | 0.81 | 0.85 | 0.86 | NA | 0.48 | 0.79 | 1.88 | 0.63 | 0.50 | NA | 1.85 | NA | 0.47 | 0.74 | 0.54 | 0.46 | 1.42 | 1.05 | 0.77 | 0.97 | 1.26 | 0.50 | 1.42 |
| 6-phosphogluconate | ME1100914 | 0.29 | 0.23 | 1.12 | 0.33 | 0.94 | 2.11 | 0.14 | 1.01 | 0.72 | 1.15 | 0.34 | 1.67 | 0.38 | 1.73 | 1.47 | 1.66 | 0.35 | 0.91 | 1.21 | 1.56 | 0.39 | 0.88 | 1.06 | 1.12 | 1.91 | 0.65 | 1.44 | 1.89 | 1.64 | 0.79 | 1.40 | 0.53 | 2.53 | 1.44 | 0.64 | 1.77 | 1.34 | 0.90 | 1.11 | 1.04 | 0.89 | 0.78 | NA | 0.37 | 0.79 | 0.66 | 0.71 | 0.28 | NA | 0.78 | NA | 0.53 | 0.82 | 0.86 | 0.74 | 0.68 | 0.91 | 1.28 | 1.53 | 0.85 | 0.98 | 0.77 |
| pyruvate | ME1101002 | 0.88 | 1.93 | 0.91 | 0.66 | 0.69 | 0.89 | 1.20 | 1.68 | 0.89 | 0.65 | 0.77 | 1.22 | 0.87 | 1.04 | 0.57 | 1.05 | 0.90 | 1.12 | 0.85 | 1.25 | 0.60 | 1.55 | 0.99 | 0.82 | 0.59 | 0.71 | 0.66 | 0.69 | 0.54 | 1.90 | 0.76 | 1.32 | 0.85 | 0.85 | 0.56 | 0.32 | 0.55 | 0.71 | 0.36 | 0.29 | 2.07 | 0.30 | NA | 0.58 | 0.42 | 0.53 | 2.04 | 0.72 | NA | 1.10 | NA | 1.41 | 1.84 | 1.66 | 1.95 | 1.19 | 0.66 | 0.52 | 0.56 | 2.12 | 1.57 | 2.13 |
| kynurenine | ME1100979 | 0.20 | 0.99 | 2.19 | 0.70 | 1.11 | 1.56 | 0.92 | 1.78 | 2.06 | 0.72 | 0.20 | 2.02 | 0.64 | 1.07 | 1.21 | 0.77 | 0.46 | 1.17 | 1.08 | 0.66 | 1.30 | 1.28 | 0.98 | 1.78 | 0.42 | 1.12 | 1.47 | 1.40 | 1.17 | 2.04 | 1.93 | 0.78 | 1.00 | 0.58 | 0.84 | 0.83 | 0.94 | 0.74 | 0.64 | 0.56 | 0.96 | 0.76 | NA | 0.41 | 0.57 | 0.54 | 1.08 | 0.72 | NA | 0.41 | NA | 1.11 | 0.87 | 1.47 | 0.26 | 0.57 | 0.80 | 1.22 | 0.87 | 1.47 | 1.20 | 0.41 |
| alpha-glycerophosphate | ME1100921 | 0.71 | 0.67 | 1.36 | 1.07 | 0.65 | 1.96 | 1.03 | 0.70 | 1.77 | 0.67 | 0.81 | 0.91 | 0.71 | 0.87 | 0.89 | 0.77 | 0.85 | 0.70 | 1.31 | 0.78 | 1.00 | 0.60 | 0.77 | 1.16 | 1.43 | 1.87 | 1.54 | 0.77 | 1.20 | 1.19 | 1.25 | 0.57 | 1.57 | 1.05 | 1.02 | 1.86 | 2.01 | 1.12 | 0.97 | 1.03 | 0.70 | 0.86 | NA | 0.63 | 0.85 | 1.49 | 0.75 | 0.54 | NA | 0.64 | NA | 0.55 | 0.70 | 0.89 | 0.82 | 0.67 | 1.01 | 1.53 | 0.64 | 0.93 | 0.66 | 0.97 |
| succinate | ME1101008 | 1.59 | 0.61 | 1.33 | 1.61 | 1.60 | 1.28 | 1.25 | 1.10 | 1.58 | 1.68 | 1.33 | 0.89 | 1.10 | 0.73 | 1.16 | 0.28 | 1.24 | 0.41 | 1.47 | 1.12 | 1.52 | 0.74 | 1.24 | 0.81 | 1.18 | 1.42 | 0.82 | 1.52 | 1.26 | 1.03 | 1.11 | 0.39 | 1.53 | 0.72 | 1.63 | 0.94 | 1.38 | 1.42 | 1.15 | 0.78 | 0.46 | 0.90 | NA | 0.28 | 1.22 | 1.49 | 0.59 | 0.26 | NA | 0.45 | NA | 0.35 | 0.78 | 0.46 | 0.74 | 0.54 | 0.87 | 0.77 | 0.59 | 0.84 | 0.58 | 0.83 |
| uracil | ME1101019 | 1.40 | 0.64 | 1.34 | 1.39 | 1.26 | 1.34 | 1.13 | 0.98 | 1.28 | 1.41 | 1.17 | 0.94 | 1.07 | 0.94 | 1.10 | 0.54 | 1.05 | 0.53 | 1.02 | 1.39 | 1.85 | 1.00 | 0.92 | 0.76 | 1.19 | 1.42 | 0.98 | 1.59 | 1.40 | 0.84 | 1.18 | 0.30 | 1.61 | 0.73 | 1.40 | 1.38 | 1.42 | 0.81 | 1.28 | 1.09 | 0.52 | 1.00 | NA | 0.39 | 1.35 | 1.39 | 0.77 | 0.26 | NA | 0.64 | NA | 0.46 | 0.72 | 0.39 | 1.06 | 0.40 | 0.91 | 1.21 | 0.67 | 0.53 | 0.38 | 0.88 |
| uridine | ME1101020 | 1.36 | 0.65 | 1.34 | 1.46 | 1.33 | 1.46 | 1.18 | 0.96 | 1.25 | 1.39 | 1.18 | 0.91 | 1.03 | 0.89 | 1.11 | 0.51 | 1.12 | 0.52 | 1.02 | 1.31 | 1.88 | 0.94 | 0.96 | 0.78 | 1.27 | 1.48 | 0.98 | 1.50 | 1.34 | 0.78 | 1.20 | 0.29 | 1.62 | 0.71 | 1.43 | 1.37 | 1.50 | 0.86 | 1.35 | 1.11 | 0.51 | 1.03 | NA | 0.36 | 1.33 | 1.44 | 0.80 | 0.26 | NA | 0.59 | NA | 0.44 | 0.70 | 0.39 | 0.96 | 0.35 | 0.88 | 1.36 | 0.66 | 0.46 | 0.36 | 0.84 |
| 4-pyridoxate | ME1100912 | 0.60 | 0.78 | 1.73 | 0.91 | 1.04 | 1.43 | 1.61 | 1.13 | 0.45 | 0.40 | 0.75 | 0.47 | 0.61 | 0.90 | 1.11 | 1.12 | 0.59 | 0.47 | 0.89 | 1.41 | 0.89 | 0.91 | 0.51 | 0.61 | 1.95 | 1.59 | 0.86 | 1.46 | 0.92 | 1.28 | 1.09 | 0.79 | 2.25 | 0.60 | 2.17 | 1.16 | 2.50 | 1.52 | 1.25 | 1.35 | 0.70 | 1.56 | NA | 0.87 | 1.03 | 1.98 | 0.38 | 0.35 | NA | 0.81 | NA | 0.50 | 0.41 | 0.48 | 0.59 | 0.41 | 0.92 | 1.22 | 0.20 | 0.76 | 0.56 | 1.22 |
| adonitol/arabitol | ME1100918 | 0.99 | 1.14 | 1.13 | 1.12 | 1.07 | 1.10 | 0.90 | 1.28 | 0.81 | 0.61 | 0.73 | 0.93 | 0.72 | 0.79 | 0.65 | 0.74 | 0.72 | 0.72 | 0.64 | 1.13 | 0.81 | 0.92 | 0.80 | 0.66 | 0.83 | 0.77 | 0.74 | 0.87 | 0.72 | 1.17 | 0.90 | 1.12 | 1.83 | 1.14 | 1.83 | 1.92 | 1.61 | 2.20 | 1.39 | 1.22 | 0.76 | 1.17 | NA | 0.74 | 1.12 | 1.20 | 0.89 | 0.69 | NA | 1.10 | NA | 0.91 | 0.77 | 0.67 | 0.83 | 0.73 | 0.92 | 1.22 | 0.94 | 1.26 | 0.88 | 0.84 |
| N-acetylglutamine | ME1100992 | 1.10 | 1.35 | 1.61 | 1.54 | 1.37 | 1.81 | 1.29 | 1.83 | 1.06 | 0.51 | 0.57 | 1.16 | 0.59 | 0.68 | 0.73 | 0.79 | 0.52 | 0.77 | 0.68 | 0.74 | 0.61 | 0.56 | 1.10 | 1.01 | 1.05 | 1.07 | 1.34 | 0.67 | 0.73 | 0.99 | 1.20 | 1.01 | 2.01 | 0.78 | 1.93 | 1.40 | 1.74 | 2.69 | 1.24 | 0.97 | 0.63 | 0.77 | NA | 0.56 | 0.71 | 1.18 | 1.00 | 0.57 | NA | 0.61 | NA | 0.44 | 0.85 | 0.77 | 0.47 | 0.68 | 0.73 | 1.18 | 0.88 | 0.70 | 0.74 | 0.75 |
| sorbitol | ME1101006 | 0.65 | 0.68 | 0.96 | 0.70 | 1.62 | 0.79 | 0.68 | 0.88 | 1.23 | 0.76 | 0.79 | 0.76 | 0.93 | 0.64 | 0.62 | 0.78 | 0.85 | 0.76 | 1.08 | 1.00 | 0.84 | 0.89 | 1.61 | 1.05 | 0.96 | 0.77 | 0.63 | 1.06 | 1.07 | 0.98 | 0.86 | 0.65 | 0.78 | 2.15 | 1.14 | 1.04 | 0.64 | 0.78 | 0.86 | 0.51 | 0.73 | 0.55 | NA | 1.10 | 1.19 | 0.64 | 1.08 | 1.16 | NA | 0.71 | NA | 3.35 | 1.67 | 1.16 | 1.55 | 1.17 | 0.99 | 1.07 | 1.28 | 1.08 | 0.92 | 1.17 |
| caproate | ME1100933 | 0.35 | 0.75 | 0.51 | 0.39 | 0.60 | 0.73 | 0.69 | 0.50 | 1.18 | 1.25 | 1.02 | 0.97 | 0.82 | 1.19 | 1.32 | 0.96 | 0.76 | 1.06 | 0.78 | 0.30 | 0.97 | 0.84 | 1.02 | 0.71 | 0.95 | 1.17 | 1.41 | 0.98 | 1.28 | 0.43 | 1.24 | 1.00 | 0.41 | 0.41 | 0.49 | 0.13 | 0.90 | 0.13 | 0.43 | 1.12 | 1.98 | 1.83 | NA | 1.48 | 1.43 | 0.82 | 1.68 | 1.55 | NA | 0.60 | NA | 1.28 | 1.78 | 1.44 | 1.07 | 0.20 | 1.40 | 1.80 | 1.24 | 1.02 | 2.06 | 2.20 |
| 4-methylcatechol | ME1100911 | 0.62 | 0.94 | 0.74 | 0.86 | 0.94 | 0.93 | 1.16 | 0.87 | 0.98 | 1.24 | 0.95 | 1.06 | 1.01 | 1.22 | 1.26 | 1.09 | 0.82 | 0.97 | 0.87 | 0.21 | 1.09 | 0.59 | 1.11 | 0.95 | 1.18 | 1.14 | 1.31 | 0.90 | 1.13 | 0.53 | 1.04 | 1.07 | 0.59 | 0.94 | 1.22 | 0.50 | 1.16 | 0.42 | 0.59 | 1.32 | 1.45 | 1.45 | NA | 1.22 | 1.84 | 1.13 | 1.23 | 1.18 | NA | 0.48 | NA | 0.68 | 1.20 | 0.91 | 1.09 | 0.54 | 0.97 | 1.34 | 1.29 | 0.80 | 1.22 | 1.47 |
| gemfibrozil | ME1100953 | 0.66 | 0.72 | 0.68 | 0.63 | 0.70 | 0.76 | 0.64 | 0.74 | 1.07 | 0.88 | 0.80 | 0.81 | 1.23 | 1.43 | 1.13 | 0.90 | 0.82 | 0.82 | 0.64 | 0.24 | 0.82 | 0.49 | 1.08 | 0.63 | 0.61 | 0.97 | 1.50 | 0.53 | 0.91 | 0.25 | 1.12 | 0.88 | 0.77 | 0.53 | 0.71 | 0.58 | 1.23 | 0.80 | 0.56 | 1.94 | 2.22 | 1.96 | NA | 1.62 | 1.37 | 1.14 | 1.44 | 1.31 | NA | 0.47 | NA | 0.75 | 1.70 | 1.45 | 1.46 | 0.97 | 0.71 | 1.70 | 1.68 | 0.61 | 1.49 | 1.75 |
| aspartate | ME1100928 | 0.52 | 0.84 | 0.75 | 0.57 | 0.47 | 0.44 | 0.59 | 0.43 | 0.75 | 0.60 | 0.73 | 0.76 | 0.46 | 0.82 | 0.70 | 0.76 | 0.85 | 0.83 | 0.73 | 0.51 | 0.81 | 0.79 | 1.24 | 1.32 | 1.15 | 0.87 | 0.83 | 0.57 | 0.57 | 0.92 | 1.13 | 2.43 | 1.60 | 1.87 | 1.09 | 0.77 | 2.18 | 1.00 | 1.63 | 1.30 | 1.09 | 1.08 | NA | 0.87 | 1.31 | 0.85 | 1.30 | 0.96 | NA | 0.72 | NA | 1.04 | 1.21 | 1.33 | 1.38 | 0.98 | 1.47 | 1.91 | 1.02 | 1.04 | 1.17 | 1.12 |
| glutamate | ME1100954 | 0.43 | 0.64 | 0.78 | 0.74 | 0.54 | 0.60 | 0.64 | 0.52 | 0.79 | 0.59 | 0.91 | 0.68 | 0.63 | 0.86 | 0.75 | 0.50 | 0.89 | 0.72 | 0.87 | 0.95 | 0.89 | 0.81 | 1.34 | 1.28 | 1.65 | 0.84 | 0.71 | 0.65 | 0.75 | 1.73 | 1.12 | 1.29 | 1.45 | 1.05 | 1.31 | 0.21 | 1.51 | 1.24 | 1.98 | 0.86 | 1.23 | 0.94 | NA | 0.76 | 1.28 | 1.23 | 1.52 | 0.88 | NA | 0.79 | NA | 0.79 | 1.40 | 1.37 | 1.71 | 1.17 | 1.42 | 1.16 | 0.81 | 1.30 | 1.14 | 1.37 |
| quinolinate | ME1101003 | 0.49 | 0.70 | 0.74 | 0.68 | 0.60 | 0.77 | 0.92 | 0.59 | 1.48 | 0.65 | 1.06 | 1.86 | 1.06 | 1.46 | 1.24 | 0.52 | 0.49 | 1.54 | 0.65 | 0.80 | 0.91 | 0.37 | 0.91 | 1.10 | 1.22 | 1.08 | 1.31 | 0.97 | 1.33 | 0.86 | 1.90 | 0.60 | 1.00 | 0.64 | 0.59 | 1.43 | 1.36 | 0.84 | 0.51 | 1.39 | 1.13 | 1.23 | NA | 0.49 | 0.73 | 1.24 | 1.63 | 1.44 | NA | 0.62 | NA | 0.36 | 1.02 | 0.92 | 0.45 | 1.58 | 0.85 | 1.43 | 1.68 | 0.88 | 1.62 | 1.07 |
| aconitate | ME1100916 | 0.68 | 0.71 | 0.65 | 0.52 | 0.60 | 0.60 | 0.71 | 0.71 | 0.65 | 0.63 | 0.70 | 0.65 | 0.60 | 0.59 | 0.69 | 0.52 | 0.68 | 0.64 | 0.83 | 0.83 | 0.78 | 0.68 | 0.64 | 0.66 | 0.84 | 0.74 | 0.70 | 0.85 | 0.53 | 0.86 | 0.69 | 1.11 | 1.48 | 1.24 | 0.67 | 1.21 | 1.62 | 1.58 | 0.60 | 1.22 | 1.39 | 1.36 | NA | 1.18 | 1.14 | 0.59 | 1.42 | 1.32 | NA | 1.72 | NA | 1.33 | 1.61 | 1.69 | 1.19 | 1.62 | 0.96 | 1.28 | 1.58 | 2.04 | 1.69 | 2.02 |
| 2-hydroxyglutarate | ME1100904 | 0.52 | 0.74 | 0.55 | 0.44 | 0.71 | 0.48 | 0.64 | 0.58 | 0.67 | 0.55 | 0.89 | 0.86 | 0.76 | 0.90 | 1.01 | 0.48 | 0.81 | 0.70 | 0.72 | 1.98 | 1.01 | 0.81 | 0.79 | 1.04 | 1.27 | 1.03 | 0.93 | 0.79 | 0.67 | 1.48 | 0.86 | 0.69 | 0.98 | 1.17 | 0.71 | 1.14 | 1.31 | 1.14 | 0.78 | 0.98 | 0.84 | 1.30 | NA | 0.85 | 0.99 | 1.01 | 1.31 | 1.09 | NA | 2.34 | NA | 1.17 | 1.27 | 1.12 | 0.78 | 1.41 | 0.99 | 1.13 | 1.39 | 2.19 | 1.35 | 1.89 |
| mesaconate | ME1100984 | 0.55 | 0.79 | 0.59 | 0.49 | 0.75 | 0.54 | 0.68 | 0.64 | 0.68 | 0.55 | 0.87 | 0.87 | 0.78 | 0.90 | 1.03 | 0.54 | 0.79 | 0.73 | 0.75 | 1.91 | 0.98 | 0.83 | 0.83 | 1.06 | 1.24 | 1.00 | 0.94 | 0.78 | 0.68 | 1.48 | 0.89 | 0.74 | 0.97 | 1.17 | 0.73 | 1.15 | 1.30 | 1.10 | 0.81 | 0.96 | 0.85 | 1.23 | NA | 0.85 | 0.97 | 1.01 | 1.28 | 1.06 | NA | 2.21 | NA | 1.17 | 1.24 | 1.10 | 0.82 | 1.41 | 0.98 | 1.13 | 1.37 | 2.10 | 1.33 | 1.80 |
| 4-hydroxybenzaldehyde | ME1100910 | 0.48 | 1.47 | 1.09 | 0.72 | 0.96 | 0.96 | 1.27 | 1.85 | 1.21 | 0.90 | 0.70 | 1.50 | 0.62 | 0.88 | 0.94 | 0.95 | 0.79 | 1.38 | 0.84 | 0.96 | 0.65 | 2.27 | 1.42 | 1.10 | 0.62 | 0.70 | 1.02 | 1.02 | 0.84 | 0.83 | 1.20 | 1.40 | 0.70 | 0.47 | 0.70 | 0.27 | 1.06 | 0.73 | 0.45 | 0.53 | 0.95 | 0.92 | NA | 0.92 | 1.05 | 0.44 | 1.63 | 1.22 | NA | 0.95 | NA | 2.29 | 1.64 | 1.33 | 0.86 | 0.47 | 0.96 | 0.96 | 0.68 | 1.10 | 1.35 | 0.84 |
| imidazolelactate | ME1100971 | 0.86 | 0.82 | 1.02 | 1.11 | 1.12 | 1.14 | 1.30 | 1.70 | 1.45 | 0.75 | 0.74 | 1.23 | 0.61 | 0.75 | 0.57 | 1.07 | 1.06 | 1.03 | 1.12 | 0.57 | 0.57 | 1.13 | 1.16 | 0.99 | 1.21 | 0.95 | 2.06 | 0.94 | 1.14 | 1.54 | 1.80 | 0.79 | 0.63 | 0.93 | 0.53 | 0.77 | 0.88 | 1.14 | 0.76 | 0.37 | 0.57 | 0.41 | NA | 0.88 | 0.69 | 0.76 | 1.35 | 1.07 | NA | 0.52 | NA | 0.92 | 1.13 | 0.84 | 1.00 | 1.66 | 0.95 | 1.06 | 0.79 | 1.38 | 1.54 | 1.18 |
| proline | ME1101000 | 0.63 | 1.14 | 0.82 | 1.24 | 0.64 | 0.73 | 1.10 | 1.29 | 1.93 | 0.93 | 0.60 | 1.55 | 0.59 | 0.54 | 0.54 | 0.54 | 0.66 | 1.14 | 0.65 | 0.61 | 0.49 | 1.40 | 2.31 | 1.02 | 0.61 | 0.54 | 1.41 | 0.55 | 0.60 | 1.08 | 0.92 | 1.49 | 0.65 | 1.37 | 0.44 | 0.65 | 0.91 | 0.80 | 0.56 | 0.37 | 0.64 | 0.43 | NA | 0.60 | 0.59 | 0.50 | 2.57 | 1.37 | NA | 0.64 | NA | 1.55 | 2.70 | 1.91 | 0.91 | 2.19 | 0.72 | 0.54 | 1.66 | 1.24 | 1.23 | 0.96 |
| tyrosine | ME1101017 | 0.54 | 0.86 | 0.67 | 1.17 | 0.60 | 0.69 | 0.85 | 1.26 | 1.65 | 0.92 | 0.66 | 1.85 | 0.76 | 0.78 | 0.59 | 0.74 | 0.97 | 1.41 | 0.57 | 0.77 | 0.62 | 1.99 | 1.69 | 1.38 | 0.72 | 0.54 | 1.11 | 0.69 | 0.98 | 1.55 | 1.24 | 0.87 | 0.86 | 1.03 | 0.54 | 0.72 | 0.88 | 1.14 | 0.51 | 0.75 | 0.79 | 0.51 | NA | 0.72 | 0.67 | 0.81 | 1.77 | 1.40 | NA | 0.66 | NA | 1.83 | 1.62 | 1.72 | 0.86 | 1.51 | 0.63 | 0.95 | 1.25 | 1.33 | 1.20 | 0.63 |
| alanine | ME1100920 | 0.75 | 1.06 | 0.84 | 1.24 | 0.72 | 1.05 | 1.15 | 1.06 | 1.63 | 0.78 | 0.88 | 1.06 | 0.93 | 0.83 | 0.60 | 0.67 | 0.98 | 1.03 | 0.85 | 0.61 | 0.62 | 0.97 | 1.61 | 1.07 | 0.80 | 0.80 | 1.34 | 0.72 | 0.96 | 1.22 | 1.22 | 1.35 | 0.61 | 1.45 | 0.41 | 0.86 | 0.97 | 0.70 | 0.60 | 0.64 | 1.18 | 0.41 | NA | 0.86 | 0.47 | 0.61 | 1.64 | 1.23 | NA | 0.59 | NA | 1.10 | 1.80 | 1.46 | 1.16 | 1.64 | 0.77 | 0.79 | 1.34 | 1.45 | 1.72 | 1.16 |
| asparagine | ME1100927 | 0.57 | 1.12 | 0.71 | 1.07 | 0.58 | 0.76 | 1.10 | 1.13 | 1.58 | 0.92 | 0.73 | 1.25 | 0.87 | 0.81 | 0.66 | 0.72 | 0.87 | 1.13 | 0.72 | 0.65 | 0.66 | 1.32 | 1.48 | 0.97 | 0.84 | 0.61 | 1.29 | 0.68 | 0.74 | 1.60 | 1.18 | 1.79 | 0.47 | 1.09 | 0.34 | 0.49 | 0.81 | 0.62 | 0.41 | 0.52 | 1.15 | 0.45 | NA | 0.84 | 0.54 | 0.48 | 2.07 | 1.36 | NA | 0.61 | NA | 1.60 | 1.65 | 1.80 | 1.24 | 2.06 | 0.73 | 0.53 | 1.13 | 1.69 | 1.85 | 1.35 |
| methionine | ME1100985 | 0.84 | 1.30 | 1.00 | 1.55 | 0.85 | 0.97 | 1.37 | 1.80 | 1.92 | 0.92 | 0.67 | 1.59 | 0.83 | 0.80 | 0.55 | 0.89 | 0.97 | 1.30 | 0.79 | 0.63 | 0.53 | 1.32 | 1.77 | 1.28 | 0.62 | 0.58 | 1.16 | 0.63 | 0.84 | 1.00 | 1.05 | 1.27 | 0.62 | 1.57 | 0.53 | 0.87 | 0.99 | 1.18 | 0.58 | 0.49 | 0.66 | 0.45 | NA | 0.87 | 0.56 | 0.47 | 1.91 | 1.34 | NA | 0.53 | NA | 1.29 | 1.54 | 1.74 | 0.78 | 1.44 | 0.52 | 0.64 | 1.22 | 0.96 | 1.04 | 0.61 |
| threonine | ME1101014 | 0.71 | 1.23 | 0.93 | 1.21 | 0.78 | 0.82 | 1.38 | 1.37 | 2.27 | 1.20 | 1.14 | 1.48 | 0.95 | 0.83 | 0.82 | 1.00 | 0.93 | 1.26 | 0.93 | 0.55 | 0.79 | 0.95 | 1.45 | 1.14 | 0.88 | 0.66 | 1.34 | 0.82 | 0.95 | 0.89 | 1.24 | 1.28 | 0.69 | 1.12 | 0.47 | 0.64 | 1.06 | 0.93 | 0.47 | 0.72 | 0.83 | 0.64 | NA | 0.88 | 0.71 | 0.72 | 1.59 | 1.20 | NA | 0.46 | NA | 0.99 | 1.39 | 1.35 | 0.86 | 1.41 | 0.71 | 0.78 | 1.16 | 0.84 | 1.42 | 0.77 |
| lysine | ME1100981 | 0.76 | 1.02 | 1.01 | 1.24 | 0.85 | 0.91 | 1.02 | 1.16 | 1.65 | 0.95 | 0.77 | 1.40 | 1.11 | 0.96 | 0.68 | 1.02 | 0.89 | 1.19 | 1.15 | 0.79 | 0.72 | 1.14 | 1.58 | 1.48 | 0.75 | 0.73 | 1.37 | 0.81 | 0.91 | 1.17 | 1.14 | 0.91 | 1.11 | 1.08 | 0.70 | 0.81 | 0.85 | 0.85 | 0.67 | 0.73 | 0.89 | 0.55 | NA | 0.96 | 0.60 | 0.66 | 1.59 | 1.15 | NA | 0.65 | NA | 1.03 | 1.44 | 1.82 | 0.74 | 1.38 | 0.73 | 0.76 | 1.17 | 1.14 | 1.07 | 0.66 |
| serine | ME1101005 | 0.73 | 1.12 | 0.85 | 1.30 | 0.72 | 0.94 | 1.19 | 1.16 | 1.41 | 1.05 | 0.82 | 1.30 | 1.13 | 1.04 | 0.71 | 1.01 | 1.12 | 1.24 | 1.04 | 0.74 | 0.77 | 1.49 | 1.67 | 1.22 | 0.80 | 0.72 | 1.22 | 0.76 | 1.00 | 1.25 | 1.27 | 1.24 | 0.47 | 1.29 | 0.36 | 0.63 | 0.83 | 0.59 | 0.47 | 0.57 | 1.03 | 0.47 | NA | 1.00 | 0.56 | 0.51 | 1.72 | 1.31 | NA | 0.59 | NA | 1.40 | 1.43 | 1.61 | 1.02 | 1.43 | 0.64 | 0.64 | 1.08 | 1.20 | 1.28 | 0.85 |
| alpha-keto-beta-methylvalerate/alpha-ketoisocaproate | ME1100922 | 0.61 | 1.63 | 0.72 | 0.83 | 0.64 | 0.85 | 1.19 | 1.41 | 1.31 | 0.53 | 0.98 | 1.23 | 1.24 | 1.09 | 0.65 | 1.31 | 1.00 | 1.28 | 0.63 | 0.81 | 0.48 | 1.17 | 1.27 | 1.02 | 0.90 | 0.67 | 0.94 | 0.62 | 0.97 | 1.45 | 1.04 | 1.73 | 0.29 | 1.02 | 0.21 | 0.48 | 0.44 | 0.37 | 0.45 | 0.29 | 1.39 | 0.32 | NA | 1.31 | 0.36 | 0.71 | 1.52 | 1.60 | NA | 1.24 | NA | 1.73 | 1.63 | 1.43 | 1.33 | 1.84 | 0.75 | 0.52 | 1.19 | 1.77 | 1.53 | 1.10 |
| thymine | ME1101015 | 0.66 | 1.31 | 1.52 | 1.32 | 0.56 | 0.99 | 1.21 | 1.24 | 1.10 | 0.97 | 1.14 | 1.17 | 1.30 | 1.13 | 0.87 | 1.24 | 1.10 | 1.26 | 1.28 | 1.22 | 1.05 | 1.42 | 0.98 | 1.15 | 0.75 | 1.08 | 0.81 | 0.97 | 0.78 | 1.17 | 0.85 | 1.40 | 0.92 | 1.13 | 0.22 | 0.71 | 0.84 | 0.67 | 0.41 | 0.55 | 1.00 | 0.65 | NA | 1.40 | 0.45 | 0.49 | 1.21 | 1.17 | NA | 1.19 | NA | 1.36 | 0.99 | 1.48 | 0.96 | 1.10 | 0.84 | 0.51 | 0.96 | 1.15 | 0.90 | 0.77 |
| aminobutyrate | ME1100923 | 0.49 | 1.03 | 0.75 | 0.67 | 0.64 | 0.77 | 1.10 | 0.66 | 0.80 | 0.88 | 0.97 | 0.88 | 0.87 | 1.36 | 0.87 | 0.77 | 1.20 | 0.86 | 1.12 | 1.25 | 0.96 | 1.28 | 0.94 | 0.91 | 1.30 | 1.24 | 0.93 | 2.00 | 1.18 | 1.71 | 1.07 | 0.92 | 0.70 | 0.56 | 0.56 | 0.71 | 0.97 | 0.55 | 0.44 | 0.77 | 1.22 | 0.79 | NA | 0.77 | 0.79 | 0.91 | 0.98 | 0.79 | NA | 1.25 | NA | 1.23 | 0.82 | 1.06 | 0.91 | 1.01 | 2.54 | 1.34 | 0.75 | 1.81 | 1.02 | 1.35 |
| lactate | ME1100980 | 1.09 | 1.13 | 1.23 | 1.72 | 1.27 | 1.35 | 1.37 | 1.53 | 1.48 | 1.30 | 1.29 | 1.11 | 1.10 | 0.93 | 1.06 | 0.51 | 1.05 | 0.54 | 1.04 | 1.18 | 1.34 | 1.13 | 1.34 | 1.06 | 0.87 | 1.18 | 1.11 | 0.95 | 1.36 | 1.02 | 1.11 | 0.79 | 1.16 | 1.04 | 0.92 | 0.98 | 1.33 | 1.46 | 0.76 | 0.91 | 0.63 | 0.53 | NA | 0.43 | 0.70 | 1.17 | 0.86 | 0.43 | NA | 0.55 | NA | 0.56 | 0.97 | 0.64 | 0.78 | 0.79 | 0.57 | 1.13 | 0.88 | 1.00 | 0.67 | 0.61 |
| N6-acetyllysine | ME1100990 | 1.32 | 1.63 | 1.68 | 1.68 | 1.03 | 1.26 | 1.48 | 1.83 | 0.97 | 0.96 | 0.91 | 0.94 | 0.95 | 0.86 | 0.77 | 0.73 | 0.86 | 0.85 | 1.20 | 0.93 | 0.94 | 0.85 | 1.08 | 0.93 | 0.94 | 0.93 | 1.10 | 1.09 | 0.67 | 1.07 | 1.00 | 1.25 | 1.54 | 0.96 | 0.92 | 1.08 | 1.38 | 1.66 | 0.94 | 0.84 | 0.77 | 0.70 | NA | 0.80 | 0.65 | 0.76 | 0.81 | 0.63 | NA | 0.89 | NA | 0.72 | 0.90 | 0.95 | 0.59 | 0.83 | 0.95 | 0.63 | 0.86 | 0.91 | 0.86 | 0.81 |
| arginine | ME1100925 | 1.28 | 1.28 | 1.27 | 1.73 | 1.50 | 1.17 | 1.73 | 1.83 | 1.21 | 1.15 | 1.06 | 1.38 | 1.36 | 1.37 | 1.21 | 1.11 | 1.15 | 1.12 | 1.44 | 1.24 | 1.20 | 1.13 | 1.42 | 1.39 | 0.85 | 1.29 | 1.18 | 1.18 | 1.16 | 1.34 | 1.13 | 0.88 | 0.58 | 0.30 | 0.98 | 0.31 | 0.67 | 0.59 | 0.64 | 0.45 | 0.88 | 0.48 | NA | 0.67 | 0.36 | 0.54 | 1.12 | 0.71 | NA | 0.49 | NA | 0.65 | 0.84 | 1.21 | 0.64 | 1.01 | 0.86 | 0.44 | 0.59 | 0.92 | 0.65 | 0.64 |
| cystine | ME1100942 | 1.19 | 1.41 | 1.14 | 1.35 | 1.18 | 1.04 | 1.48 | 1.42 | 1.16 | 1.16 | 1.31 | 0.86 | 1.39 | 0.96 | 1.47 | 1.14 | 1.36 | 0.98 | 1.43 | 0.66 | 1.35 | 0.55 | 1.49 | 1.24 | 1.27 | 1.17 | 0.86 | 1.09 | 0.83 | 0.56 | 0.90 | 1.34 | 0.69 | 1.30 | 0.73 | 0.94 | 0.70 | 0.88 | 0.49 | 0.72 | 0.79 | 1.00 | NA | 1.12 | 0.81 | 0.83 | 0.89 | 0.99 | NA | 0.63 | NA | 0.56 | 0.80 | 1.18 | 0.65 | 0.91 | 0.69 | 0.71 | 1.10 | 0.61 | 0.65 | 0.89 |
| glutamine | ME1100955 | 1.16 | 1.46 | 1.28 | 1.34 | 0.99 | 1.32 | 1.31 | 1.39 | 1.04 | 1.07 | 1.35 | 1.25 | 1.34 | 1.28 | 1.25 | 1.05 | 1.08 | 1.06 | 1.30 | 1.16 | 1.36 | 1.22 | 1.43 | 1.24 | 1.22 | 1.35 | 1.23 | 1.13 | 1.12 | 1.18 | 1.27 | 1.00 | 0.68 | 0.80 | 0.54 | 0.88 | 0.98 | 0.65 | 0.70 | 0.82 | 0.67 | 0.80 | NA | 0.72 | 0.59 | 0.95 | 0.77 | 0.66 | NA | 0.66 | NA | 0.76 | 0.87 | 0.85 | 0.47 | 0.63 | 0.72 | 0.90 | 0.83 | 0.58 | 0.69 | 0.56 |
| 2-hydroxy-3-methylpentanoate/hydroxyisocaproate | ME1100903 | 0.59 | 0.64 | 0.56 | 0.65 | 0.64 | 0.51 | 0.65 | 0.67 | 0.73 | 1.07 | 1.29 | 1.03 | 1.06 | 1.29 | 1.25 | 0.95 | 0.80 | 1.18 | 1.13 | 1.91 | 1.38 | 1.08 | 1.02 | 0.87 | 1.36 | 1.16 | 1.18 | 1.60 | 0.92 | 0.82 | 0.82 | 0.82 | 0.48 | 0.56 | 0.78 | 0.47 | 0.83 | 0.59 | 0.79 | 0.98 | 1.04 | 1.86 | NA | 0.98 | 1.05 | 1.46 | 0.95 | 1.18 | NA | 1.68 | NA | 0.98 | 1.40 | 1.03 | 1.15 | 0.92 | 1.27 | 0.62 | 1.10 | 0.83 | 0.88 | 1.53 |
| hydroxyisovalerate/2-hydroxy-3-methylbutyrate | ME1100969 | 0.82 | 0.54 | 0.67 | 0.54 | 0.69 | 0.56 | 0.64 | 0.70 | 0.73 | 1.17 | 1.20 | 0.93 | 0.94 | 1.16 | 1.49 | 0.97 | 0.74 | 1.15 | 1.31 | 1.63 | 1.36 | 0.99 | 0.92 | 1.11 | 1.20 | 1.17 | 1.21 | 1.29 | 0.95 | 0.82 | 0.91 | 0.66 | 0.63 | 0.45 | 0.83 | 0.58 | 0.75 | 0.69 | 0.99 | 1.07 | 1.06 | 1.98 | NA | 1.01 | 1.28 | 1.34 | 0.87 | 1.12 | NA | 1.61 | NA | 0.93 | 1.12 | 1.24 | 0.92 | 1.05 | 1.12 | 0.79 | 1.22 | 0.91 | 0.99 | 1.31 |
| taurine | ME1101010 | 0.76 | 0.94 | 1.03 | 0.78 | 0.60 | 0.82 | 0.75 | 0.84 | 1.29 | 0.85 | 1.19 | 1.19 | 1.02 | 1.11 | 1.10 | 1.09 | 1.03 | 0.99 | 1.43 | 1.45 | 1.03 | 0.95 | 1.21 | 1.38 | 1.96 | 1.44 | 1.27 | 0.88 | 1.11 | 1.65 | 1.26 | 0.82 | 0.74 | 0.89 | 0.37 | 0.82 | 0.45 | 0.50 | 0.77 | 0.68 | 0.89 | 0.91 | NA | 0.82 | 0.80 | 1.01 | 1.03 | 0.83 | NA | 1.28 | NA | 0.81 | 0.95 | 1.01 | 0.78 | 0.89 | 0.92 | 1.17 | 0.98 | 1.16 | 1.01 | 1.34 |
| 2-aminoadipate | ME1100901 | 0.60 | 0.76 | 0.81 | 0.78 | 1.05 | 0.99 | 0.97 | 0.81 | 1.59 | 1.36 | 1.28 | 1.36 | 0.96 | 1.01 | 1.08 | 1.01 | 1.22 | 1.34 | 1.38 | 1.33 | 1.36 | 1.02 | 1.38 | 1.40 | 1.29 | 1.15 | 1.19 | 1.20 | 0.98 | 0.86 | 1.27 | 0.65 | 0.81 | 0.39 | 0.92 | 0.42 | 0.83 | 0.69 | 0.58 | 0.87 | 0.84 | 0.96 | NA | 0.77 | 1.15 | 1.37 | 1.16 | 1.02 | NA | 0.87 | NA | 0.73 | 0.97 | 1.22 | 1.01 | 0.74 | 1.18 | 0.86 | 0.72 | 0.71 | 0.84 | 0.97 |
| 3-methylhistidine | ME1100908 | 0.39 | 1.07 | 0.45 | 1.07 | 0.45 | 0.78 | 0.93 | 0.82 | 0.83 | 1.31 | 0.94 | 1.37 | 1.06 | 1.26 | 1.10 | 1.19 | 0.97 | 1.30 | 1.06 | 1.34 | 1.12 | 0.89 | 1.83 | 1.22 | 1.19 | 1.20 | 1.12 | 1.17 | 1.11 | 0.97 | 1.33 | 0.85 | 0.35 | 0.76 | 0.41 | 0.68 | 0.84 | 0.54 | 0.40 | 0.88 | 1.01 | 0.93 | NA | 1.20 | 0.98 | 0.81 | 1.30 | 1.02 | NA | 1.41 | NA | 0.75 | 1.56 | 1.36 | 0.85 | 0.99 | 1.18 | 1.02 | 1.04 | 0.98 | 1.12 | 0.95 |
| N1-methyl-2-pyridone-5-carboxamide | ME1100989 | 1.00 | 0.74 | 1.45 | 1.19 | 0.89 | 0.91 | 0.87 | 1.25 | 0.99 | 0.79 | 1.11 | 0.89 | 1.26 | 1.27 | 1.06 | 1.19 | 0.82 | 0.84 | 0.61 | 0.47 | 0.96 | 0.32 | 0.77 | 0.90 | 1.06 | 1.03 | 1.48 | 0.86 | 0.91 | 0.64 | 1.02 | 0.73 | 1.85 | 0.96 | 0.90 | 1.01 | 0.91 | 1.53 | 1.14 | 1.36 | 1.20 | 1.18 | NA | 1.25 | 0.91 | 1.20 | 1.04 | 0.84 | NA | 0.45 | NA | 0.36 | 0.84 | 0.97 | 0.86 | 1.89 | 0.83 | 1.08 | 1.35 | 0.64 | 1.00 | 1.18 |
| adipate/methylglutarate | ME1100917 | 0.72 | 0.87 | 0.80 | 0.66 | 0.80 | 0.95 | 0.75 | 0.74 | 0.83 | 0.76 | 0.85 | 0.82 | 0.76 | 0.84 | 0.71 | 0.60 | 0.73 | 0.72 | 0.78 | 0.94 | 0.82 | 0.78 | 0.91 | 0.69 | 0.98 | 0.74 | 0.79 | 0.91 | 0.86 | 1.03 | 0.93 | 0.81 | 1.33 | 1.17 | 1.12 | 1.08 | 1.32 | 1.77 | 1.04 | 1.22 | 1.16 | 1.10 | NA | 0.92 | 1.11 | 1.48 | 1.24 | 1.06 | NA | 0.88 | NA | 1.04 | 1.40 | 1.13 | 1.13 | 1.27 | 0.96 | 1.05 | 1.31 | 1.97 | 1.33 | 1.55 |
| 3-methyladipate/pimelate | ME1100907 | 0.91 | 0.86 | 0.94 | 0.73 | 1.16 | 1.00 | 0.87 | 0.81 | 0.83 | 0.74 | 0.87 | 0.72 | 0.88 | 0.91 | 0.75 | 0.61 | 0.67 | 0.70 | 0.80 | 0.93 | 0.79 | 0.73 | 0.95 | 0.73 | 0.92 | 0.67 | 0.70 | 0.76 | 0.78 | 0.82 | 0.97 | 0.95 | 1.61 | 1.22 | 1.81 | 1.12 | 1.27 | 1.99 | 1.36 | 1.07 | 1.20 | 1.11 | NA | 0.89 | 1.19 | 1.46 | 1.19 | 1.03 | NA | 0.97 | NA | 0.82 | 1.30 | 0.86 | 0.81 | 0.94 | 1.27 | 1.04 | 1.82 | 0.85 | 1.11 | 1.22 |
| suberate | ME1101007 | 0.75 | 0.81 | 0.80 | 0.64 | 0.85 | 0.78 | 0.69 | 0.93 | 0.75 | 0.87 | 0.94 | 0.74 | 0.95 | 0.94 | 0.83 | 0.61 | 0.71 | 0.79 | 0.88 | 0.94 | 0.83 | 0.70 | 0.99 | 0.83 | 1.00 | 0.70 | 0.72 | 0.95 | 0.78 | 0.84 | 0.97 | 0.79 | 1.42 | 1.38 | 1.53 | 1.11 | 0.84 | 0.99 | 1.33 | 1.03 | 1.36 | 1.26 | NA | 0.99 | 1.31 | 1.58 | 1.09 | 1.18 | NA | 1.07 | NA | 0.86 | 1.05 | 1.07 | 0.89 | 1.12 | 1.45 | 1.11 | 2.37 | 0.80 | 1.17 | 1.35 |
| methylsuccinate | ME1100987 | 0.89 | 1.09 | 0.85 | 0.99 | 1.20 | 1.00 | 1.08 | 0.83 | 1.12 | 1.25 | 0.93 | 0.90 | 0.95 | 0.91 | 0.80 | 0.59 | 0.99 | 0.74 | 1.07 | 1.07 | 1.11 | 0.86 | 1.28 | 0.92 | 0.87 | 0.71 | 0.95 | 0.78 | 0.91 | 1.02 | 1.06 | 0.86 | 1.32 | 1.20 | 1.44 | 1.02 | 1.26 | 1.08 | 1.21 | 0.89 | 0.94 | 0.79 | NA | 0.62 | 1.49 | 1.01 | 0.78 | 0.74 | NA | 0.85 | NA | 0.86 | 2.00 | 1.68 | 1.49 | 0.65 | 0.98 | 0.87 | 0.93 | 0.91 | 0.69 | 0.72 |
| tryptophan | ME1101016 | 0.90 | 0.69 | 0.93 | 1.10 | 0.74 | 0.63 | 0.81 | 0.75 | 1.35 | 0.86 | 1.12 | 1.03 | 1.19 | 0.99 | 0.96 | 0.60 | 0.93 | 0.95 | 1.05 | 1.49 | 1.35 | 1.09 | 1.19 | 1.01 | 1.05 | 1.03 | 1.09 | 1.01 | 1.14 | 1.42 | 1.03 | 0.56 | 1.52 | 0.90 | 1.08 | 1.25 | 1.02 | 1.09 | 0.84 | 1.09 | 0.80 | 0.99 | NA | 0.58 | 0.82 | 1.70 | 0.81 | 0.83 | NA | 0.87 | NA | 0.87 | 0.82 | 0.91 | 0.66 | 1.73 | 0.90 | 1.14 | 1.04 | 1.00 | 0.86 | 0.83 |
| fucose | ME1100949 | 0.81 | 1.12 | 0.72 | 1.31 | 0.77 | 1.22 | 1.32 | 0.72 | 0.72 | 0.76 | 0.86 | 0.86 | 0.79 | 0.82 | 0.72 | 0.86 | 1.18 | 1.27 | 1.11 | 1.12 | 0.85 | 1.24 | 1.23 | 1.10 | 0.91 | 1.00 | 1.20 | 0.99 | 1.04 | 0.94 | 1.05 | 1.08 | 0.62 | 1.32 | 0.66 | 1.24 | 1.29 | 0.67 | 0.70 | 0.64 | 0.85 | 0.72 | NA | 0.98 | 0.59 | 0.72 | 0.90 | 1.33 | NA | 1.15 | NA | 1.28 | 1.34 | 1.37 | 1.10 | 1.45 | 1.03 | 0.97 | 1.02 | 1.06 | 1.17 | 1.08 |
| pantothenate | ME1100994 | 0.63 | 0.95 | 0.97 | 1.34 | 0.77 | 1.09 | 0.99 | 1.20 | 1.18 | 0.72 | 0.73 | 1.26 | 1.28 | 1.24 | 0.77 | 1.17 | 0.97 | 0.87 | 0.82 | 1.19 | 0.78 | 1.06 | 1.43 | 1.08 | 1.17 | 0.78 | 1.15 | 0.72 | 1.03 | 1.63 | 1.25 | 1.13 | 0.73 | 1.18 | 0.58 | 0.84 | 0.88 | 0.80 | 0.59 | 0.83 | 1.03 | 0.68 | NA | 1.03 | 0.66 | 0.85 | 1.31 | 0.90 | NA | 1.05 | NA | 0.88 | 1.50 | 1.19 | 1.10 | 1.09 | 0.69 | 0.83 | 1.07 | 1.16 | 1.07 | 1.13 |
| isoleucine/leucine | ME1100977 | 0.78 | 0.95 | 1.13 | 1.03 | 0.70 | 0.92 | 0.93 | 0.93 | 1.36 | 1.03 | 0.86 | 0.92 | 0.84 | 0.77 | 0.86 | 0.71 | 0.87 | 0.86 | 0.77 | 0.78 | 0.95 | 0.87 | 1.13 | 0.97 | 1.14 | 0.91 | 1.13 | 0.93 | 0.88 | 1.01 | 0.88 | 1.06 | 1.57 | 1.24 | 0.69 | 1.15 | 1.09 | 0.90 | 0.80 | 1.07 | 0.88 | 0.91 | NA | 0.77 | 1.00 | 1.17 | 1.39 | 0.94 | NA | 0.68 | NA | 0.99 | 1.23 | 1.52 | 0.82 | 1.41 | 0.96 | 1.26 | 1.41 | 1.17 | 1.02 | 1.12 |
| valine | ME1101021 | 0.76 | 1.04 | 1.06 | 0.93 | 0.76 | 0.86 | 1.04 | 1.01 | 1.70 | 1.00 | 0.86 | 1.13 | 0.84 | 0.80 | 0.80 | 0.75 | 0.91 | 1.10 | 0.76 | 0.68 | 0.85 | 0.99 | 1.38 | 0.97 | 1.04 | 0.84 | 1.28 | 0.93 | 0.97 | 1.08 | 1.10 | 1.02 | 1.31 | 0.96 | 0.74 | 1.03 | 1.09 | 0.88 | 0.74 | 0.91 | 0.80 | 0.80 | NA | 0.76 | 1.01 | 0.98 | 1.42 | 1.07 | NA | 0.58 | NA | 1.05 | 1.35 | 1.25 | 0.78 | 1.45 | 0.97 | 1.15 | 1.44 | 1.13 | 1.17 | 0.96 |
| histidine | ME1100966 | 0.85 | 1.12 | 1.05 | 1.22 | 0.81 | 1.07 | 1.05 | 1.18 | 1.36 | 1.11 | 0.90 | 1.22 | 1.03 | 0.99 | 0.81 | 0.98 | 0.97 | 1.02 | 0.87 | 0.90 | 0.83 | 1.38 | 1.42 | 1.05 | 1.03 | 0.81 | 1.18 | 0.90 | 0.95 | 1.36 | 1.11 | 1.03 | 0.91 | 1.04 | 0.64 | 0.88 | 0.93 | 0.89 | 0.64 | 0.79 | 0.91 | 0.63 | NA | 0.90 | 0.80 | 0.77 | 1.35 | 0.86 | NA | 0.77 | NA | 1.23 | 1.19 | 1.21 | 0.81 | 1.27 | 0.83 | 0.84 | 1.08 | 1.27 | 1.09 | 0.94 |
| phenylalanine | ME1100998 | 0.95 | 1.09 | 1.22 | 1.22 | 0.81 | 1.02 | 1.07 | 1.19 | 1.24 | 0.88 | 0.75 | 1.21 | 0.86 | 0.81 | 0.86 | 0.86 | 0.89 | 0.95 | 0.76 | 0.97 | 0.80 | 1.16 | 1.26 | 1.04 | 0.96 | 0.85 | 1.11 | 0.79 | 0.86 | 1.25 | 0.95 | 1.07 | 1.42 | 1.24 | 0.84 | 1.11 | 1.19 | 1.17 | 0.83 | 0.91 | 0.80 | 0.85 | NA | 0.74 | 0.82 | 0.99 | 1.41 | 0.92 | NA | 0.79 | NA | 1.13 | 1.08 | 1.30 | 0.74 | 1.22 | 0.72 | 1.07 | 1.06 | 1.20 | 0.92 | 0.81 |
| 1-methylhistidine | ME1100900 | 0.98 | 1.60 | 1.14 | 0.93 | 0.92 | 1.36 | 1.57 | 1.25 | 0.95 | 0.91 | 0.86 | 1.25 | 1.03 | 1.24 | 0.86 | 1.14 | 0.99 | 1.04 | 0.71 | 1.16 | 0.89 | 0.96 | 1.08 | 0.99 | 0.88 | 0.98 | 0.87 | 1.03 | 0.99 | 1.09 | 1.20 | 1.36 | 0.96 | 0.74 | 0.79 | 1.13 | 1.44 | 0.99 | 0.81 | 0.71 | 0.95 | 0.87 | NA | 1.08 | 0.77 | 0.74 | 1.17 | 0.98 | NA | 0.96 | NA | 0.87 | 0.91 | 1.07 | 0.89 | 0.75 | 0.76 | 0.87 | 0.64 | 1.02 | 1.16 | 0.76 |
| caprylate | ME1100934 | 0.97 | 0.98 | 0.99 | 0.63 | 1.21 | 1.52 | 0.94 | 0.77 | 0.84 | 1.07 | 1.00 | 0.98 | 1.17 | 0.90 | 0.97 | 0.86 | 1.06 | 0.88 | 0.86 | 1.11 | 1.09 | 1.18 | 1.07 | 1.09 | 1.15 | 0.99 | 0.97 | 0.71 | 1.05 | 0.89 | 0.99 | 0.85 | 0.86 | 1.13 | 1.03 | 0.96 | 1.05 | 0.85 | 1.15 | 0.78 | 1.10 | 0.84 | NA | 0.94 | 1.65 | 0.80 | 1.23 | 1.11 | NA | 0.85 | NA | 1.15 | 0.92 | 0.98 | 1.12 | 0.67 | 1.03 | 1.28 | 0.74 | 1.09 | 1.02 | 0.95 |
| citrulline | ME1100938 | 0.88 | 1.06 | 1.00 | 0.85 | 0.78 | 0.67 | 0.95 | 1.28 | 0.85 | 0.87 | 0.80 | 1.02 | 0.82 | 0.71 | 0.90 | 0.92 | 0.66 | 0.94 | 0.96 | 0.77 | 0.87 | 0.85 | 0.97 | 0.92 | 0.90 | 1.01 | 1.33 | 1.07 | 0.72 | 1.02 | 1.02 | 1.20 | 1.15 | 0.90 | 0.91 | 0.73 | 1.17 | 1.51 | 1.01 | 1.04 | 1.01 | 1.08 | NA | 1.03 | 0.82 | 0.84 | 1.13 | 0.98 | NA | 1.03 | NA | 0.87 | 1.21 | 1.33 | 0.91 | 1.52 | 1.26 | 0.77 | 1.26 | 1.28 | 1.48 | 1.17 |
| glycerate | ME1100957 | 0.99 | 0.86 | 1.06 | 0.95 | 0.96 | 0.90 | 0.96 | 0.91 | 1.10 | 0.83 | 1.02 | 1.00 | 1.17 | 1.23 | 0.83 | 0.72 | 1.08 | 0.96 | 1.50 | 1.05 | 0.89 | 0.92 | 1.11 | 0.97 | 1.57 | 1.03 | 1.04 | 0.94 | 0.90 | 1.36 | 0.96 | 0.72 | 0.83 | 0.88 | 0.67 | 0.94 | 1.09 | 1.07 | 0.72 | 0.87 | 1.03 | 0.78 | NA | 0.92 | 0.69 | 0.69 | 1.08 | 0.98 | NA | 0.86 | NA | 0.92 | 1.22 | 1.03 | 1.04 | 1.26 | 0.88 | 0.97 | 1.22 | 1.49 | 0.95 | 1.42 |
| oxalate | ME1100993 | 1.14 | 0.94 | 1.03 | 0.85 | 0.72 | 0.79 | 0.80 | 0.78 | 1.11 | 0.89 | 0.93 | 1.07 | 1.25 | 1.13 | 0.83 | 1.05 | 1.01 | 1.15 | 1.37 | 0.80 | 1.04 | 1.02 | 0.94 | 0.99 | 0.97 | 0.93 | 1.29 | 1.03 | 1.03 | 0.83 | 0.84 | 0.94 | 0.88 | 1.03 | 0.92 | 0.83 | 1.13 | 1.44 | 0.96 | 1.32 | 1.23 | 0.97 | NA | 1.08 | 0.94 | 0.95 | 0.93 | 1.15 | NA | 0.93 | NA | 0.98 | 1.05 | 1.09 | 1.06 | 0.95 | 1.02 | 1.03 | 0.71 | 0.99 | 1.01 | 0.94 |
| malonate | ME1100983 | 0.86 | 0.97 | 0.89 | 0.91 | 1.04 | 0.89 | 0.93 | 0.94 | 0.96 | 0.99 | 1.04 | 0.90 | 0.95 | 1.10 | 1.14 | 1.00 | 0.90 | 0.91 | 0.91 | 1.04 | 1.16 | 0.76 | 0.92 | 0.86 | 1.35 | 1.12 | 0.99 | 1.20 | 0.95 | 0.82 | 0.97 | 0.91 | 1.04 | 0.88 | 1.00 | 0.73 | 1.09 | 0.89 | 0.82 | 1.15 | 1.15 | 1.18 | NA | 1.12 | 1.06 | 0.95 | 0.88 | 1.05 | NA | 1.12 | NA | 0.83 | 1.04 | 1.00 | 1.00 | 0.76 | 1.26 | 1.12 | 1.06 | 0.93 | 1.07 | 1.55 |
| glycocholate-d4 | ME1100898 | 0.84 | 1.04 | 0.92 | 0.63 | 1.05 | 0.99 | 1.20 | 0.86 | 0.91 | 0.88 | 0.87 | 1.01 | 1.11 | 1.03 | 0.93 | 1.16 | 1.03 | 1.09 | 0.90 | 1.12 | 1.00 | 0.94 | 1.05 | 1.02 | 1.03 | 0.80 | 0.92 | 0.96 | 1.03 | 1.07 | 1.00 | 1.16 | 0.69 | 0.96 | 1.06 | 0.80 | 0.98 | 0.79 | 1.02 | 0.88 | 0.98 | 1.00 | NA | 1.12 | 1.13 | 0.87 | 1.03 | 1.32 | NA | 0.98 | NA | 1.10 | 0.95 | 1.13 | 1.52 | 1.05 | 0.96 | 0.86 | 0.84 | 1.13 | 1.13 | 1.18 |
| caffeate | ME1100932 | 0.96 | 0.99 | 0.96 | 0.96 | 0.97 | 0.99 | 0.96 | 0.97 | 1.00 | 0.98 | 0.98 | 0.99 | 1.00 | 0.99 | 0.95 | 1.00 | 0.94 | 1.01 | 1.03 | 0.98 | 1.00 | 1.00 | 0.99 | 0.98 | 1.00 | 0.97 | 1.01 | 0.99 | 1.03 | 0.93 | 0.96 | 0.99 | 1.08 | 1.07 | 1.01 | 1.19 | 1.05 | 0.93 | 1.02 | 1.13 | 0.93 | 0.96 | NA | 1.08 | 0.94 | 1.02 | 0.90 | 0.96 | NA | 0.96 | NA | 1.06 | 0.98 | 0.96 | 1.00 | 1.30 | 0.99 | 0.95 | 1.28 | 0.92 | 0.95 | 0.91 |
| inosine-15N4 | ME1100897 | 0.98 | 0.99 | 0.99 | 0.84 | 0.94 | 0.93 | 0.96 | 0.94 | 1.07 | 0.96 | 0.96 | 0.97 | 0.98 | 1.04 | 0.93 | 1.02 | 1.02 | 1.02 | 1.06 | 1.07 | 1.04 | 1.08 | 0.90 | 0.92 | 0.96 | 0.95 | 1.05 | 0.97 | 1.04 | 0.93 | 0.92 | 1.13 | 0.84 | 1.00 | 0.96 | 1.12 | 1.15 | 0.94 | 0.98 | 1.04 | 0.89 | 1.10 | NA | 1.11 | 0.90 | 0.93 | 1.04 | 1.07 | NA | 1.01 | NA | 1.06 | 1.01 | 1.08 | 1.39 | 1.08 | 0.89 | 0.94 | 0.82 | 1.02 | 1.10 | 0.98 |
| thymine-d4 | ME1100896 | 1.08 | 1.09 | 1.07 | 0.97 | 0.98 | 1.02 | 1.09 | 1.06 | 0.96 | 0.94 | 0.99 | 0.97 | 1.04 | 1.00 | 1.02 | 1.08 | 1.03 | 1.01 | 1.02 | 1.24 | 0.97 | 0.97 | 1.03 | 0.98 | 0.97 | 0.94 | 0.89 | 0.97 | 0.92 | 1.12 | 0.99 | 1.06 | 0.98 | 1.06 | 0.82 | 1.05 | 0.91 | 0.99 | 1.06 | 0.86 | 0.93 | 0.89 | NA | 1.02 | 0.85 | 0.80 | 1.09 | 0.98 | NA | 1.15 | NA | 0.98 | 0.97 | 0.98 | 1.12 | 1.19 | 0.98 | 0.83 | 0.94 | 1.13 | 1.00 | 0.97 |
| citrate/isocitrate | ME1100937 | 0.95 | 0.92 | 0.90 | 0.74 | 0.86 | 0.87 | 0.94 | 0.96 | 0.93 | 0.90 | 0.94 | 0.88 | 0.81 | 0.81 | 0.96 | 0.72 | 0.89 | 0.87 | 1.10 | 1.06 | 1.03 | 0.89 | 0.88 | 0.95 | 1.19 | 1.03 | 1.00 | 1.09 | 0.79 | 1.21 | 0.99 | 1.00 | 1.00 | 0.93 | 0.93 | 0.93 | 1.16 | 1.25 | 0.90 | 0.91 | 1.03 | 1.07 | NA | 0.94 | 0.93 | 0.89 | 1.06 | 0.98 | NA | 1.17 | NA | 1.01 | 1.18 | 1.26 | 1.02 | 1.17 | 1.21 | 0.96 | 1.09 | 1.35 | 1.21 | 1.39 |
| fumarate/maleate | ME1100950 | 0.80 | 1.19 | 0.85 | 0.93 | 0.98 | 1.02 | 1.16 | 0.97 | 0.96 | 0.84 | 0.94 | 1.00 | 0.93 | 0.93 | 0.92 | 0.91 | 0.90 | 0.96 | 0.89 | 0.99 | 0.89 | 1.00 | 1.09 | 1.10 | 1.07 | 0.90 | 1.00 | 0.83 | 0.85 | 1.21 | 1.04 | 1.21 | 0.93 | 1.16 | 0.87 | 1.04 | 1.23 | 1.07 | 0.87 | 0.97 | 0.96 | 0.86 | NA | 0.95 | 1.00 | 0.89 | 1.10 | 1.12 | NA | 1.05 | NA | 1.09 | 1.10 | 0.99 | 0.96 | 1.06 | 0.97 | 1.06 | 0.99 | 1.22 | 1.10 | 1.10 |
| malate | ME1100982 | 0.70 | 1.25 | 0.77 | 0.90 | 0.94 | 1.00 | 1.22 | 0.93 | 0.92 | 0.77 | 0.92 | 0.98 | 0.88 | 0.89 | 0.87 | 0.85 | 0.85 | 0.91 | 0.83 | 0.97 | 0.83 | 0.98 | 1.12 | 1.12 | 1.08 | 0.85 | 0.97 | 0.74 | 0.77 | 1.27 | 1.02 | 1.32 | 0.92 | 1.27 | 0.82 | 1.13 | 1.37 | 1.14 | 0.81 | 0.95 | 0.96 | 0.82 | NA | 0.96 | 1.02 | 0.85 | 1.17 | 1.18 | NA | 1.09 | NA | 1.15 | 1.16 | 1.01 | 0.95 | 1.12 | 0.94 | 1.09 | 1.00 | 1.34 | 1.18 | 1.17 |
| fructose/glucose/galactose | ME1100948 | 1.09 | 1.04 | 1.05 | 0.88 | 0.96 | 1.05 | 0.99 | 1.03 | 1.02 | 1.04 | 0.99 | 0.90 | 0.96 | 1.06 | 1.05 | 0.96 | 0.98 | 1.04 | 0.94 | 0.78 | 0.96 | 0.83 | 0.73 | 0.94 | 0.98 | 0.96 | 1.09 | 0.80 | 0.99 | 0.82 | 0.96 | 0.90 | 1.23 | 0.82 | 1.27 | 1.23 | 1.28 | 1.45 | 1.14 | 1.24 | 1.00 | 1.22 | NA | 0.96 | 1.35 | 1.46 | 0.85 | 0.98 | NA | 0.74 | NA | 0.78 | 0.72 | 1.02 | 0.83 | 0.92 | 0.87 | 1.31 | 0.96 | 0.82 | 0.90 | 0.88 |
| acetylalanine | ME1100915 | 1.06 | 1.20 | 1.57 | 0.89 | 1.03 | 1.00 | 1.12 | 1.26 | 0.83 | 0.69 | 0.95 | 0.83 | 0.85 | 0.82 | 0.85 | 0.93 | 0.87 | 0.82 | 1.03 | 1.22 | 0.95 | 0.87 | 0.91 | 0.82 | 1.15 | 1.07 | 0.89 | 1.15 | 0.63 | 1.20 | 0.95 | 1.01 | 1.68 | 0.77 | 1.20 | 1.03 | 1.28 | 1.33 | 1.07 | 0.86 | 0.83 | 0.90 | NA | 0.94 | 0.68 | 1.14 | 0.94 | 0.78 | NA | 1.28 | NA | 0.82 | 0.88 | 1.13 | 0.82 | 1.03 | 1.14 | 0.85 | 0.85 | 1.16 | 0.90 | 1.25 |
| threitol | ME1101013 | 1.07 | 1.26 | 1.20 | 0.84 | 1.46 | 0.98 | 1.10 | 1.17 | 0.90 | 0.89 | 1.14 | 0.95 | 0.88 | 0.96 | 1.03 | 0.85 | 0.70 | 0.87 | 1.11 | 1.20 | 0.99 | 0.83 | 0.76 | 0.69 | 1.01 | 0.98 | 0.85 | 1.15 | 0.83 | 0.99 | 1.13 | 1.04 | 1.26 | 0.90 | 1.47 | 1.22 | 1.28 | 1.31 | 0.91 | 0.82 | 0.91 | 1.03 | NA | 1.02 | 0.73 | 1.07 | 0.90 | 0.77 | NA | 1.17 | NA | 0.82 | 0.80 | 0.87 | 0.57 | 0.94 | 1.14 | 0.90 | 0.96 | 1.14 | 1.25 | 1.01 |
| ethylmalonate | ME1100947 | 1.09 | 1.07 | 1.00 | 0.84 | 1.37 | 1.05 | 1.23 | 0.80 | 0.75 | 0.97 | 1.30 | 0.80 | 0.85 | 0.95 | 1.17 | 0.83 | 1.01 | 0.96 | 1.00 | 1.41 | 1.20 | 1.00 | 0.73 | 0.80 | 1.26 | 1.02 | 0.74 | 1.23 | 0.85 | 1.20 | 1.07 | 0.95 | 1.05 | 0.76 | 1.44 | 0.91 | 1.12 | 0.75 | 1.03 | 0.79 | 0.87 | 1.12 | NA | 0.90 | 0.91 | 1.25 | 0.83 | 0.86 | NA | 1.39 | NA | 0.93 | 0.66 | 0.84 | 0.88 | 0.67 | 1.30 | 0.85 | 0.90 | 1.20 | 1.01 | 1.29 |
| glycolate | ME1100958 | 1.22 | 1.12 | 1.15 | 0.87 | 1.18 | 1.04 | 1.03 | 0.99 | 0.78 | 1.06 | 1.00 | 0.82 | 0.79 | 0.93 | 1.13 | 0.82 | 0.77 | 0.93 | 1.08 | 1.29 | 1.08 | 0.99 | 0.90 | 0.80 | 1.07 | 1.07 | 0.91 | 1.06 | 0.88 | 0.98 | 0.97 | 1.00 | 1.17 | 0.78 | 1.28 | 1.01 | 1.00 | 1.02 | 1.18 | 0.91 | 0.87 | 1.27 | NA | 0.84 | 1.17 | 1.32 | 0.94 | 0.89 | NA | 1.21 | NA | 0.94 | 0.88 | 0.88 | 0.79 | 0.82 | 1.12 | 0.99 | 1.01 | 1.00 | 0.92 | 1.05 |
| pseudouridine | ME1101001 | 1.12 | 1.02 | 1.34 | 0.93 | 1.19 | 1.01 | 1.08 | 1.10 | 0.57 | 0.86 | 1.07 | 0.82 | 0.99 | 0.99 | 0.98 | 0.92 | 0.86 | 0.83 | 1.10 | 1.45 | 1.13 | 0.85 | 0.78 | 0.86 | 1.09 | 1.16 | 0.95 | 1.09 | 0.84 | 1.11 | 1.06 | 0.93 | 1.27 | 0.82 | 1.15 | 1.05 | 1.12 | 1.03 | 0.96 | 0.87 | 0.97 | 0.96 | NA | 1.01 | 0.86 | 1.15 | 0.91 | 0.82 | NA | 1.36 | NA | 0.79 | 0.77 | 0.99 | 0.76 | 0.92 | 1.11 | 0.93 | 0.88 | 1.16 | 1.07 | 1.24 |
| cystathionine | ME1100941 | 1.97 | 1.36 | 3.25 | 0.94 | 2.26 | 1.11 | 1.07 | 1.48 | 1.17 | 0.38 | 1.09 | 1.27 | 0.60 | 0.67 | 0.28 | 0.50 | 0.66 | 0.23 | 0.75 | 0.54 | 1.55 | 1.88 | 0.87 | 1.07 | 0.37 | 1.28 | 1.51 | 0.86 | 0.82 | 1.75 | 1.60 | 1.06 | 1.90 | 0.10 | 2.02 | 0.25 | 0.93 | 2.11 | 2.31 | 0.66 | 0.43 | 0.22 | NA | 0.19 | 0.13 | 1.27 | 0.85 | 0.24 | NA | 0.15 | NA | 0.93 | 0.97 | 0.97 | 0.49 | 1.01 | 0.45 | 0.58 | NA | 1.16 | 1.27 | 0.23 |
| homovanillate | ME1100967 | 1.28 | 0.65 | 0.98 | 1.29 | 0.92 | 0.72 | 0.88 | 1.58 | 1.17 | 0.62 | 0.66 | 1.04 | 0.84 | 0.87 | 0.62 | 0.30 | 0.90 | 0.82 | 0.52 | 2.44 | 0.89 | 1.55 | 1.30 | 1.13 | 0.96 | 0.44 | 1.13 | 0.67 | 0.89 | 2.57 | 0.90 | 0.14 | 2.59 | 0.45 | 2.06 | 0.89 | 1.55 | 3.00 | 1.05 | 0.91 | 0.40 | 0.55 | NA | 0.25 | 1.10 | 1.98 | 0.52 | 0.44 | NA | 1.10 | NA | 0.88 | 0.80 | 0.72 | 0.44 | 1.64 | 0.36 | 0.86 | 0.89 | 1.16 | 0.54 | 0.24 |
| glutathione oxidized | ME1100956 | 0.75 | 0.81 | 0.91 | 0.82 | 0.52 | 1.94 | 0.67 | 0.38 | 0.82 | 0.20 | 0.14 | 0.86 | 0.40 | 0.79 | 0.55 | 0.64 | 0.39 | 0.85 | 0.44 | 0.37 | 0.35 | 0.41 | 0.24 | 1.24 | 1.07 | 1.09 | 2.18 | 0.47 | 0.95 | 0.52 | 1.37 | 0.51 | 3.48 | 1.29 | 2.26 | 3.18 | 4.28 | 1.80 | 2.41 | 2.51 | 0.51 | 1.33 | NA | 0.24 | 0.95 | 0.81 | 0.46 | 0.28 | NA | 0.40 | NA | 0.40 | 0.44 | 0.66 | 0.81 | 0.13 | 0.92 | 2.74 | 0.99 | 0.70 | 0.92 | 0.44 |
| hexose monophosphate | ME1100964 | 0.96 | 1.23 | 0.42 | 0.58 | 0.59 | 0.82 | 1.23 | 0.54 | 1.15 | 0.52 | 0.38 | 0.94 | 0.51 | 0.74 | 0.58 | 0.81 | 0.66 | 0.86 | 0.37 | 0.51 | 0.57 | 0.57 | 0.74 | 0.91 | 0.57 | 0.89 | 1.22 | 0.46 | 0.22 | 1.20 | 0.68 | 1.03 | 1.32 | 1.93 | 0.70 | 4.23 | 3.04 | 1.62 | 0.27 | 2.03 | 1.18 | 1.18 | NA | 0.94 | 0.99 | 0.81 | 1.22 | 1.01 | NA | 0.75 | NA | 0.84 | 1.25 | 1.21 | 0.71 | 0.68 | 0.55 | 2.60 | 1.10 | 1.26 | 1.08 | 1.06 |
| ADP | ME1100919 | 1.57 | 1.76 | 1.07 | 0.03 | 0.46 | 1.19 | 0.93 | 0.71 | 0.01 | 0.48 | 0.06 | 1.61 | 0.07 | 0.01 | 1.10 | 1.10 | 0.02 | 0.05 | 0.46 | 0.01 | 0.01 | 0.89 | 0.00 | NA | 0.21 | 0.20 | 0.35 | 0.49 | 0.82 | NA | 0.35 | 1.15 | 5.58 | 1.69 | 0.68 | 0.84 | 3.84 | 0.49 | 2.00 | 1.74 | 1.65 | 1.52 | NA | 0.78 | 1.55 | 0.40 | 1.43 | 0.65 | NA | 0.67 | NA | 0.86 | 2.95 | 1.39 | 1.11 | 0.27 | 0.82 | 1.37 | 1.40 | 1.22 | 1.34 | 1.59 |
| 2-phosphoglycerate | ME1100906 | 0.21 | 0.60 | 0.72 | 0.18 | 0.41 | 1.11 | 0.47 | 0.47 | 0.30 | 0.59 | 0.22 | 0.75 | 0.20 | 0.75 | 0.56 | 0.88 | 0.19 | 0.56 | 0.62 | 0.33 | 0.32 | 0.45 | 0.22 | 0.52 | 1.41 | 0.53 | 0.69 | 0.67 | 1.34 | 0.40 | 0.26 | 1.59 | 2.77 | 1.41 | 0.69 | 1.11 | 1.96 | 0.97 | 2.20 | 1.47 | 1.55 | 1.85 | NA | 1.42 | 2.15 | 0.25 | 1.74 | 1.53 | NA | 1.05 | NA | 1.37 | 1.49 | 1.44 | 2.27 | 0.73 | 1.04 | 1.94 | 1.34 | 1.42 | 1.61 | 1.69 |
| 3-phosphoglycerate | ME1100909 | 0.24 | 0.61 | 0.79 | 0.19 | 0.53 | 1.05 | 0.46 | 0.49 | 0.27 | 0.49 | 0.23 | 0.83 | 0.25 | 0.73 | 0.51 | 0.79 | 0.24 | 0.61 | 0.61 | 0.36 | 0.36 | 0.59 | 0.36 | 0.73 | 1.32 | 0.54 | 0.64 | 0.86 | 1.40 | 0.39 | 0.37 | 1.96 | 2.72 | 1.39 | 0.57 | 1.10 | 1.75 | 0.74 | 2.16 | 1.35 | 1.72 | 1.56 | NA | 1.17 | 1.86 | 0.33 | 1.92 | 1.46 | NA | 1.11 | NA | 1.55 | 1.39 | 1.33 | 2.03 | 0.75 | 1.12 | 1.90 | 1.20 | 1.69 | 1.63 | 1.71 |
| hexose diphosphate | ME1100963 | NA | 0.21 | 0.22 | NA | NA | 0.39 | NA | NA | NA | NA | NA | 0.11 | NA | NA | 0.01 | 0.06 | NA | NA | NA | NA | NA | NA | NA | NA | 0.04 | 0.07 | NA | 0.02 | 0.08 | NA | NA | 1.41 | 4.27 | 1.46 | NA | 1.81 | 2.01 | 0.61 | 0.90 | 1.23 | 1.35 | 1.23 | NA | 0.98 | 1.84 | NA | 1.62 | 0.78 | NA | 0.67 | NA | 1.21 | 1.25 | 0.97 | 1.85 | 0.19 | 0.49 | 1.37 | 1.01 | 1.16 | 1.56 | 1.57 |
| PEP | ME1100997 | NA | NA | NA | NA | NA | NA | NA | NA | 0.14 | NA | NA | NA | NA | 0.14 | NA | NA | 0.07 | NA | NA | NA | NA | NA | 0.16 | 0.17 | 0.04 | NA | 0.14 | NA | NA | 1.02 | 0.01 | 0.69 | 2.60 | 1.51 | 0.01 | 2.02 | 2.20 | 1.45 | NA | 1.79 | 1.84 | 0.58 | NA | 1.13 | 0.63 | 0.07 | 1.35 | 0.89 | NA | 1.04 | NA | 0.81 | 1.42 | 1.46 | 1.99 | 1.17 | NA | 1.57 | 1.16 | 1.31 | 1.18 | 1.27 |
| N-acetylglutamate | ME1100991 | 0.16 | 0.19 | 0.49 | 0.25 | 0.24 | 0.37 | 0.25 | 0.35 | 0.58 | 0.32 | 0.27 | 0.49 | 0.18 | 0.26 | 0.30 | 0.19 | 0.25 | 0.32 | 0.32 | 0.31 | 0.34 | 0.27 | 0.47 | 0.33 | 0.64 | 0.42 | 0.45 | 0.32 | 0.23 | 0.42 | 0.44 | 0.73 | 3.36 | 1.43 | 0.33 | 2.75 | 2.56 | 3.43 | 0.18 | 1.61 | 1.04 | 2.31 | NA | 0.99 | 3.38 | 0.46 | 2.42 | 1.71 | NA | 1.57 | NA | 1.48 | 2.69 | 1.83 | 1.32 | 1.49 | 0.29 | 1.70 | 1.66 | 1.79 | 1.79 | 2.25 |
| phosphocreatine | ME1100999 | 0.43 | 1.71 | 0.43 | 0.25 | 0.45 | 0.21 | 0.34 | 0.66 | 0.58 | 0.25 | 0.07 | 1.53 | 0.11 | 0.40 | 0.29 | 1.20 | 0.50 | 0.37 | 0.52 | 1.02 | 0.10 | 0.45 | 0.45 | 0.51 | NA | 0.18 | 1.04 | 0.36 | 0.04 | 1.07 | 0.37 | 1.13 | 2.23 | 1.68 | 0.61 | 1.89 | 1.86 | 2.75 | 0.56 | 0.99 | 1.80 | 0.92 | NA | 1.74 | 1.70 | 0.77 | 1.55 | 1.03 | NA | 1.69 | NA | 1.32 | 1.13 | 2.84 | 1.21 | 1.21 | 1.60 | 1.34 | 1.03 | 1.93 | 1.42 | 2.18 |
Factors:
| F1 | Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:36 |
| F2 | Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:42 |
| F3 | Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:45 |
| F4 | Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:56 |
| F5 | Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:60 |
| F6 | Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:61 |
| F7 | Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:63 |
| F8 | Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:64 |
| F9 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:34 |
| F10 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:35 |
| F11 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:39 |
| F12 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:41 |
| F13 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:46 |
| F14 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:51 |
| F15 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:57 |
| F16 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:62 |
| F17 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:38 |
| F18 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:43 |
| F19 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:47 |
| F20 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:50 |
| F21 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:52 |
| F22 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:53 |
| F23 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:55 |
| F24 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:58 |
| F25 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:37 |
| F26 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:40 |
| F27 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:44 |
| F28 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:48 |
| F29 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:49 |
| F30 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:54 |
| F31 | Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:59 |
| F32 | Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:10 |
| F33 | Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:13 |
| F34 | Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:25 |
| F35 | Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:29 |
| F36 | Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:30 |
| F37 | Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:32 |
| F38 | Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:33 |
| F39 | Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:5 |
| F40 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:14 |
| F41 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:20 |
| F42 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:26 |
| F43 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:3 |
| F44 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:31 |
| F45 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:4 |
| F46 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:8 |
| F47 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:9 |
| F48 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:11 |
| F49 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:15 |
| F50 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:18 |
| F51 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:21 |
| F52 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:22 |
| F53 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:24 |
| F54 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:27 |
| F55 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:7 |
| F56 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:12 |
| F57 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:16 |
| F58 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:17 |
| F59 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:19 |
| F60 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:23 |
| F61 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:28 |
| F62 | Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:6 |