Clustering data with hclust algorithm for (Study ST001940)
Reversed phase POSITIVE ION MODE (Analysis AN003156)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| cholate | ME446303 | 0.53 | 0.15 | 0.09 | 0.49 | 1.96 | 4.82 | 6.28 | 4.24 |
| 12-dehydrocholate | ME446006 | 0.50 | 0.23 | 0.13 | 0.75 | 4.05 | 2.95 | 5.53 | 0.95 |
| spermidine | ME446775 | 0.75 | 0.46 | 0.65 | 0.49 | 2.92 | 3.19 | 3.15 | 2.53 |
| taurocholate | ME446797 | 0.04 | 0.18 | 3.19 | 0.38 | 0.23 | 2.75 | 5.17 | 0.75 |
| 13-HODE + 9-HODE | ME446007 | 0.40 | 0.81 | 0.99 | 0.85 | 4.36 | 0.40 | 9.67 | 0.51 |
| phenol sulfate | ME446700 | 0.25 | 0.33 | 1.88 | 1.24 | 0.68 | 0.17 | 8.39 | 0.11 |
| 1-stearoyl-GPS (18:0)* | ME446054 | 0.97 | 0.55 | 0.99 | 1.01 | 0.21 | 1.02 | 7.40 | 1.12 |
| 2-oleoylglycerol (18:1) | ME446093 | 1.04 | 0.60 | 0.75 | 0.87 | 0.86 | 0.33 | 8.56 | 0.73 |
| docosahexaenoate (DHA; 22:6n3) | ME446359 | 0.45 | 0.97 | 0.63 | 0.94 | 1.51 | 0.65 | 6.71 | 0.82 |
| norvaline | ME446649 | 0.44 | 1.72 | 0.43 | 0.36 | 1.05 | 0.51 | 6.19 | 0.88 |
| 1-methyladenine | ME446019 | 0.77 | 0.61 | 0.66 | 0.93 | 2.99 | 0.49 | 6.69 | 0.75 |
| 1-oleoylglycerol (18:1) | ME446029 | 0.92 | 0.53 | 0.85 | 0.92 | 2.14 | 0.36 | 7.69 | 0.74 |
| 1,2,3-benzenetriol sulfate (2) | ME445992 | 0.05 | 6.12 | 0.06 | 3.51 | 0.07 | 0.18 | 0.19 | 0.06 |
| 1-linoleoylglycerol (18:2) | ME446016 | 0.79 | 0.57 | 0.89 | 0.91 | 4.37 | 0.27 | 6.50 | 0.37 |
| 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) | ME446042 | 0.86 | 0.60 | 0.79 | 0.59 | 6.74 | 1.58 | 5.11 | 1.18 |
| uridine-2^,3^-cyclic monophosphate | ME446836 | 0.56 | 0.84 | 0.98 | 0.90 | 5.28 | 0.82 | 5.15 | 0.83 |
| 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) | ME446038 | 0.76 | 0.47 | 1.71 | 0.40 | 6.44 | 0.49 | 5.55 | 0.40 |
| 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) | ME446041 | 0.97 | 0.49 | 1.41 | 0.54 | 6.06 | 0.45 | 5.35 | 0.23 |
| gamma-glutamylalanine | ME446398 | 0.48 | 0.54 | 0.62 | 1.01 | 8.05 | 0.68 | 2.98 | 0.86 |
| sarcosine | ME446760 | 0.87 | 0.55 | 0.66 | 0.88 | 8.27 | 0.36 | 4.40 | 0.70 |
| 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* | ME446048 | 1.18 | 0.58 | 1.05 | 0.72 | 5.65 | 0.49 | 3.61 | 0.24 |
| arginine | ME446248 | 0.87 | 0.29 | 1.80 | 0.66 | 6.48 | 0.52 | 2.57 | 1.04 |
| linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* | ME446520 | 0.84 | 0.44 | 1.56 | 0.57 | 9.66 | 0.73 | NA | 0.89 |
| agmatine | ME446217 | 0.62 | 0.28 | 0.28 | 1.01 | 7.89 | 0.38 | 1.03 | 1.44 |
| ornithine | ME446675 | 0.70 | 0.68 | 0.95 | 0.80 | 7.70 | 0.70 | 1.26 | 1.05 |
| linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]* | ME446525 | 0.81 | 0.61 | 1.18 | 0.96 | 7.77 | 0.51 | 0.27 | 0.46 |
| 1-stearoyl-GPC (18:0) | ME446050 | 1.15 | 0.40 | 1.39 | 0.73 | 8.01 | 0.40 | 1.42 | 0.44 |
| oleoyl-linoleoyl-glycerol (18:1/18:2) [1] | ME446671 | 0.79 | 0.45 | 1.06 | 1.15 | 8.47 | 0.31 | 0.90 | 0.22 |
| indoleacetylaspartate | ME446482 | 0.18 | 0.19 | 0.12 | 1.91 | 7.01 | 0.38 | 0.11 | 0.40 |
| 1-linoleoyl-GPE (18:2)* | ME446018 | 1.24 | 0.63 | 2.40 | 0.49 | 5.66 | 0.34 | 0.56 | 0.76 |
| choline phosphate | ME446712 | 0.73 | 0.30 | 1.23 | 1.23 | 6.79 | 0.26 | 0.91 | 0.87 |
| oleoyl-oleoyl-glycerol (18:1/18:1) [1]* | ME446673 | 0.73 | 0.38 | 1.04 | 1.62 | 5.89 | 0.31 | 0.89 | 0.12 |
| linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* | ME446524 | 1.02 | 0.63 | 1.17 | 1.01 | 6.18 | 0.36 | 0.58 | 0.39 |
| oleoyl-linoleoyl-glycerol (18:1/18:2) [2] | ME446672 | 0.85 | 0.57 | 1.22 | 1.11 | 6.17 | 0.49 | 0.65 | 0.33 |
| 2,8-quinolinediol | ME446061 | 0.57 | 1.26 | 1.11 | 0.63 | 3.23 | 0.93 | 0.35 | 1.11 |
| gamma-glutamyltyrosine | ME446409 | 0.67 | 0.89 | 0.94 | 0.94 | 3.33 | 1.00 | 0.65 | 1.97 |
| imidazole lactate | ME446476 | 0.63 | 0.56 | 1.34 | 0.76 | 3.85 | 1.08 | 0.61 | 2.37 |
| guanidinoacetate | ME446447 | 0.89 | 0.25 | 1.48 | 0.93 | 4.37 | 0.19 | 0.77 | 1.97 |
| succinate | ME446787 | 1.57 | 0.57 | 1.04 | 0.75 | 4.57 | 0.27 | 0.50 | 2.62 |
| 1-linoleoyl-GPC (18:2) | ME446017 | 1.61 | 0.50 | 1.89 | 0.43 | 3.95 | 0.30 | 1.06 | 0.94 |
| maltotetraose | ME446541 | 1.03 | 0.74 | 1.99 | 0.38 | 4.07 | 0.52 | NA | 1.29 |
| nervonate (24:1n9)* | ME446625 | 0.64 | 0.85 | 0.46 | 1.69 | 2.76 | 0.21 | 1.20 | 0.05 |
| 1-oleoyl-GPC (18:1) | ME446030 | 1.16 | 0.68 | 1.04 | 0.88 | 5.62 | 0.29 | 2.24 | 0.26 |
| behenate (22:0)* | ME446255 | 0.82 | 0.85 | 0.62 | 1.20 | 5.07 | 0.28 | 1.77 | 0.19 |
| 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* | ME446028 | 1.84 | 0.61 | 1.20 | 0.56 | 4.70 | 0.47 | 2.38 | 0.25 |
| 1-stearoyl-GPE (18:0) | ME446051 | 1.33 | 0.57 | 1.05 | 0.94 | 4.52 | 0.57 | 1.44 | 0.68 |
| tryptophan betaine | ME446825 | 1.61 | 0.62 | 0.57 | 0.81 | 4.09 | 0.53 | 1.82 | 0.30 |
| 1-oleoyl-GPE (18:1) | ME446031 | 1.40 | 0.62 | 0.98 | 1.01 | 3.48 | 0.68 | 1.36 | 0.63 |
| argininosuccinate | ME446249 | 1.31 | 0.43 | 1.11 | 0.62 | 3.17 | 0.41 | 1.44 | 0.34 |
| 1-(1-enyl-oleoyl)-GPE (P-18:1)* | ME445988 | 1.30 | 0.80 | 0.88 | 0.95 | 3.43 | 0.64 | 0.79 | 0.95 |
| 1-(1-enyl-stearoyl)-GPE (P-18:0)* | ME445990 | 1.21 | 0.52 | 1.17 | 0.88 | 3.82 | 0.81 | 1.22 | 1.39 |
| N-acetylmethionine sulfoxide | ME446601 | 0.90 | 0.81 | 0.76 | 1.06 | 3.49 | 0.78 | 1.59 | 1.09 |
| gamma-glutamylglutamate | ME446401 | 1.09 | 0.75 | 0.84 | 0.91 | 3.59 | 1.27 | 2.91 | 1.29 |
| cytidine 2^,3^-cyclic monophosphate | ME446324 | 0.96 | 0.76 | 0.99 | 0.81 | 3.93 | 0.91 | 2.35 | 1.05 |
| histidine | ME446465 | 0.69 | 0.79 | 1.26 | 0.73 | 3.75 | 1.19 | 1.96 | 1.26 |
| glycerol | ME446425 | 0.90 | 0.68 | 1.15 | 0.87 | 4.28 | 0.36 | 3.29 | 0.67 |
| 1-stearoyl-2-oleoyl-GPC (18:0/18:1) | ME446049 | 1.08 | 0.79 | 0.92 | 0.89 | 4.07 | 0.69 | 2.46 | 0.33 |
| palmitoyl sphingomyelin (d18:1/16:0) | ME446687 | 0.69 | 0.67 | 0.97 | 1.28 | 3.99 | 0.52 | 2.28 | 0.43 |
| phenylacetylglycine | ME446704 | 0.32 | NA | 1.12 | 0.71 | 4.77 | NA | NA | 0.39 |
| oleoyl-oleoyl-glycerol (18:1/18:1) [2]* | ME446674 | 0.84 | 0.50 | 1.13 | 1.42 | 4.65 | 0.50 | 0.77 | 0.21 |
| 4-hydroxycinnamate | ME446158 | 0.39 | 0.73 | 0.92 | 1.77 | 4.05 | 0.44 | 1.47 | 0.53 |
| palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* | ME446684 | 0.47 | 0.61 | 0.59 | 2.07 | 4.01 | 0.42 | 0.64 | 0.87 |
| pyridoxine (Vitamin B6) | ME446740 | 1.21 | 0.84 | 0.61 | 0.88 | 4.12 | 1.27 | 0.19 | 0.66 |
| theanine | ME446803 | 0.91 | 0.83 | 0.56 | 0.90 | 4.84 | 1.43 | 0.98 | 0.41 |
| lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* | ME446500 | 0.48 | 1.18 | 0.63 | 0.87 | 4.56 | 0.96 | 0.54 | 0.80 |
| lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) | ME446501 | 0.48 | 1.00 | 0.69 | 0.85 | 5.34 | 1.13 | 0.90 | 1.08 |
| 5-aminovalerate | ME446189 | 0.96 | 0.46 | 0.68 | 0.75 | 4.81 | 1.92 | 0.42 | 2.88 |
| betaine | ME446265 | 0.35 | 0.43 | 2.58 | 0.45 | 4.07 | 0.34 | 0.64 | 3.05 |
| creatine | ME446315 | 0.29 | 0.08 | 2.51 | 0.57 | 4.19 | 0.71 | 2.06 | 3.27 |
| 2,3-dihydroxy-2-methylbutyrate | ME446056 | 0.87 | 0.51 | 0.84 | 0.24 | 0.09 | 1.56 | 2.01 | 4.67 |
| palmitoleate (16:1n7) | ME446682 | 0.52 | 0.82 | 0.57 | 0.91 | 0.34 | 1.16 | 3.05 | 3.64 |
| phenyllactate (PLA) | ME446708 | 0.57 | 0.63 | 0.59 | 0.62 | 0.71 | 1.49 | 4.57 | 3.84 |
| allantoin | ME446220 | 0.14 | 0.42 | 2.78 | 0.32 | 1.07 | 0.41 | 0.85 | 3.71 |
| galactonate | ME446395 | 0.28 | 0.19 | 2.85 | 0.28 | 0.33 | 1.12 | 0.08 | 5.78 |
| ribonate | ME446751 | 0.41 | 0.22 | 2.71 | 0.37 | 0.33 | 0.65 | 0.61 | 5.44 |
| phenethylamine | ME446699 | 0.42 | 1.11 | 0.33 | 0.42 | 0.26 | 1.56 | 0.24 | 6.47 |
| apigenin | ME446239 | 0.86 | 0.17 | 0.16 | 0.24 | 1.02 | 0.58 | 0.29 | 5.81 |
| 1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3) | ME445993 | 1.08 | 0.21 | 0.14 | 0.92 | 0.20 | 0.05 | 0.39 | 5.35 |
| 1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)* | ME445994 | 0.77 | 0.11 | 0.10 | 0.97 | 0.20 | 0.05 | 0.15 | 6.45 |
| hesperetin | ME446455 | 0.64 | 0.10 | 1.08 | 0.15 | 0.23 | 0.63 | 0.09 | 4.89 |
| N-acetylglucosamine 6-sulfate | ME446590 | 0.29 | 0.31 | 1.11 | 1.29 | NA | 0.18 | NA | 5.57 |
| chrysoeriol | ME446307 | 0.13 | 0.07 | NA | 0.42 | 1.42 | NA | 0.14 | 4.56 |
| 1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)* | ME446015 | 0.80 | 0.43 | 1.03 | 0.35 | 1.70 | 0.34 | 0.48 | 5.00 |
| naringenin | ME446616 | 0.65 | 0.33 | 1.51 | 0.24 | 1.80 | 0.84 | 0.50 | 5.84 |
| glycocholenate sulfate* | ME446436 | 0.51 | 0.07 | 4.03 | 0.09 | 0.26 | 1.14 | 0.01 | 0.80 |
| acetylcarnitine (C2) | ME446211 | 0.13 | 0.08 | 4.20 | 0.17 | 0.38 | 0.90 | 0.09 | 2.11 |
| arabonate/xylonate | ME446242 | 0.24 | 0.13 | 4.83 | 0.15 | 0.80 | 0.28 | 0.30 | 2.21 |
| laurylcarnitine (C12) | ME446505 | 0.47 | 0.16 | 3.47 | 0.19 | 0.43 | 0.76 | 0.72 | 2.62 |
| pyroglutamine* | ME446741 | 0.59 | 0.28 | 3.77 | 0.33 | 0.42 | 0.30 | 0.71 | 2.45 |
| 5-(2-Hydroxyethyl)-4-methylthiazole | ME446170 | 0.71 | 1.02 | 3.41 | 0.52 | 0.30 | 0.24 | 0.38 | 1.83 |
| gluconate | ME446415 | 0.75 | 0.35 | 3.86 | 0.39 | 0.38 | 0.68 | 0.17 | 1.20 |
| sucrose | ME446791 | 0.46 | 0.44 | 3.85 | 0.47 | 0.20 | 0.47 | 0.14 | 1.74 |
| hesperidin | ME446456 | 0.28 | NA | 1.96 | 0.03 | NA | NA | NA | 1.74 |
| 2,8-quinolinediol sulfate | ME446062 | NA | NA | 2.51 | NA | 0.80 | 0.47 | NA | 0.22 |
| oleoyl-linolenoyl-glycerol (18:1/18:3) [2]* | ME446670 | 0.87 | 0.61 | 2.45 | 1.04 | 0.03 | 0.05 | 0.03 | 0.82 |
| linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* | ME446522 | 0.82 | 0.61 | 2.68 | 1.06 | 0.60 | 0.11 | 0.05 | 0.28 |
| linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* | ME446523 | 0.74 | 0.73 | 2.78 | 0.90 | 0.38 | 0.18 | 0.02 | 0.46 |
| palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]* | ME446690 | 0.63 | 0.61 | 2.74 | 0.86 | 0.26 | 0.24 | 0.06 | 0.41 |
| linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]* | ME446517 | 1.02 | 0.47 | 3.42 | 0.48 | 0.02 | 0.02 | 0.01 | 0.09 |
| thiamin (Vitamin B1) | ME446806 | 1.20 | 0.88 | 2.92 | 0.44 | 0.06 | 0.15 | 0.07 | 0.52 |
| dopamine 3-O-sulfate | ME446363 | NA | 0.35 | 3.69 | 0.72 | NA | NA | NA | 0.17 |
| 3-(N-acetyl-L-cystein-S-yl) acetaminophen | ME446106 | 0.63 | 0.13 | 3.00 | 0.86 | NA | 0.11 | NA | NA |
| 4-acetaminophen sulfate | ME446151 | 0.11 | 0.02 | 3.16 | 0.51 | NA | NA | NA | NA |
| loperamide | ME446529 | NA | 0.09 | 2.36 | NA | 0.01 | NA | 0.19 | NA |
| ranitidine | ME446747 | 0.21 | 0.64 | 2.99 | 0.12 | NA | 0.00 | NA | 0.01 |
| 2-hydroxyibuprofen | ME446083 | 0.67 | 1.52 | 2.88 | 0.29 | 1.32 | NA | 0.47 | 0.37 |
| tauroursodeoxycholate | ME446801 | 0.81 | 0.51 | 2.91 | 0.25 | 1.09 | 1.73 | 1.13 | 1.08 |
| glucuronate | ME446417 | 0.55 | 0.37 | 3.65 | 0.73 | 1.05 | 0.62 | 0.32 | 0.87 |
| gamma-glutamylisoleucine* | ME446405 | 0.35 | 0.39 | 3.33 | 0.53 | 1.28 | 0.38 | 0.55 | 1.57 |
| taurocholenate sulfate | ME446798 | 0.55 | 0.28 | 2.80 | 0.33 | 1.17 | 0.81 | 0.17 | 1.25 |
| 2-oxoarginine* | ME446097 | 0.40 | 0.65 | 3.25 | 0.54 | 1.25 | 0.61 | 1.12 | 0.35 |
| taurochenodeoxycholate | ME446796 | 0.08 | 0.18 | 2.89 | 0.36 | 1.69 | 0.86 | 0.99 | 1.00 |
| 4-acetamidophenol | ME446149 | 1.30 | 0.32 | 5.71 | 0.74 | 0.02 | 0.25 | NA | 0.14 |
| mannitol/sorbitol | ME446543 | 0.05 | 0.06 | 6.49 | 0.04 | 0.05 | 0.07 | 0.05 | 0.09 |
| glycochenodeoxycholate | ME446434 | 0.04 | 0.08 | 5.80 | 0.18 | 0.58 | 0.13 | 0.14 | 0.14 |
| ferulic acid 4-sulfate | ME446384 | NA | 0.26 | 5.49 | 0.04 | 0.06 | 0.08 | NA | 0.06 |
| glycocholate | ME446435 | 0.02 | 0.05 | 5.72 | 0.10 | 0.01 | 0.05 | 0.01 | 0.05 |
| linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]* | ME446518 | 0.82 | 0.44 | 4.20 | 0.33 | 0.01 | 0.02 | 0.01 | 0.14 |
| glycodeoxycholate | ME446437 | 0.12 | 0.16 | 5.18 | 0.35 | 0.63 | 0.20 | 0.15 | 0.13 |
| glycoursodeoxycholate | ME446442 | 0.05 | 0.24 | 4.85 | 0.27 | 0.23 | 0.25 | 0.11 | 0.18 |
| citrate | ME446312 | 0.36 | 0.17 | 4.45 | 0.27 | 0.08 | 0.51 | 0.08 | 0.31 |
| glycolithocholate sulfate* | ME446438 | 0.45 | 0.15 | 5.08 | 0.12 | 0.05 | 0.25 | 0.05 | 0.31 |
| taurolithocholate 3-sulfate | ME446800 | 0.64 | 0.22 | 4.79 | 0.27 | 0.16 | 0.05 | NA | 0.19 |
| threonate | ME446808 | 0.28 | 0.21 | 4.96 | 0.16 | 0.43 | 0.19 | 0.42 | 1.23 |
| cystine | ME446322 | 0.35 | 0.20 | 5.01 | 0.28 | 0.43 | 0.36 | 1.09 | 0.38 |
| tartarate | ME446794 | 0.71 | 0.32 | 5.42 | 0.48 | 0.22 | 0.56 | 0.44 | 0.70 |
| 4-methylthio-2-oxobutanoate | ME446167 | 0.53 | 0.80 | 4.05 | 1.38 | 0.24 | 0.25 | 1.58 | 0.74 |
| urate | ME446834 | 0.25 | 0.24 | 4.71 | 0.40 | 0.67 | 0.21 | 2.08 | 0.14 |
| N-acetyl-aspartyl-glutamate (NAAG) | ME446585 | 2.12 | 0.14 | 0.12 | 0.13 | NA | 4.68 | 0.09 | 0.31 |
| 7-ketolithocholate | ME446203 | 1.75 | 0.32 | 1.09 | 0.41 | 1.31 | 4.62 | 1.24 | 0.84 |
| isoursodeoxycholate | ME446491 | 0.92 | 0.79 | 0.26 | 0.67 | 1.47 | 4.30 | 2.15 | 1.20 |
| ursodeoxycholate | ME446838 | 0.85 | 0.60 | 0.21 | 0.56 | 1.07 | 4.08 | 2.07 | 2.09 |
| (15:0)-anacardic acid | ME445985 | NA | 0.71 | 1.27 | 0.46 | NA | 2.51 | NA | 0.88 |
| 3-hydroxyoctanoate | ME446126 | 0.53 | 0.54 | 0.44 | 0.46 | 0.41 | 4.12 | 0.76 | 1.17 |
| feruloylputrescine | ME446385 | 0.52 | 0.91 | 0.60 | 0.49 | 1.07 | 4.37 | 0.72 | 1.13 |
| adipate (C6-DC) | ME446216 | 0.65 | 0.98 | 0.47 | 1.20 | 0.03 | 3.37 | 0.34 | 0.61 |
| I-urobilinogen | ME446494 | 0.74 | 0.96 | 0.83 | 0.65 | 0.72 | 3.51 | 0.17 | 1.02 |
| syringic acid | ME446793 | 0.59 | 1.13 | 0.47 | 0.40 | 0.85 | 2.80 | 0.51 | 2.22 |
| 5alpha-androstan-3alpha,17beta-diol monosulfate (1) | ME446176 | 0.60 | 0.64 | 0.46 | 1.03 | 0.37 | 2.69 | 0.39 | 1.53 |
| N-acetyltaurine | ME446610 | 0.98 | 0.88 | 0.71 | 0.88 | 0.09 | 3.24 | 0.93 | 2.01 |
| liquiritigenin | ME446526 | 0.13 | 0.53 | 1.20 | 0.64 | 0.96 | 3.44 | 0.04 | 2.25 |
| succinylcarnitine (C4-DC) | ME446789 | 0.48 | 0.55 | 0.41 | 1.12 | 0.50 | 4.15 | 0.12 | 2.07 |
| piperine | ME446721 | 0.24 | 0.96 | 0.15 | 0.81 | 0.14 | 5.68 | 0.90 | 0.63 |
| carnosine | ME446289 | 0.41 | 0.40 | 0.17 | 0.37 | NA | 4.79 | 1.24 | 3.32 |
| 2-piperidinone | ME446099 | 1.20 | 0.66 | 0.68 | 0.58 | 0.26 | 5.34 | 0.12 | 1.95 |
| 7-ketodeoxycholate | ME446202 | 1.18 | 0.19 | 0.29 | 0.23 | 0.66 | 6.37 | 0.60 | 2.56 |
| acesulfame | ME446210 | 0.21 | 1.91 | 0.14 | 1.42 | 0.15 | 0.06 | 1.48 | 0.07 |
| N-palmitoyltaurine | ME446654 | 0.39 | 1.47 | 0.14 | 1.54 | NA | 0.59 | 2.91 | 0.35 |
| N-stearoyltaurine | ME446659 | 0.43 | 1.68 | 0.27 | 0.98 | NA | 0.48 | 2.50 | NA |
| N-methylhydantoin | ME446640 | 1.23 | 0.71 | 0.45 | 0.83 | 1.33 | 0.24 | 4.49 | 0.88 |
| arachidate (20:0) | ME446243 | 0.87 | 0.93 | 0.95 | 1.11 | 0.94 | 0.27 | 4.70 | 0.20 |
| eicosenoate (20:1) | ME446368 | 0.65 | 0.94 | 1.01 | 0.99 | 1.18 | 0.78 | 4.79 | 0.42 |
| valerylphenylalanine | ME446843 | 0.53 | 0.43 | 0.50 | 0.88 | 0.29 | NA | 4.97 | NA |
| 3-hydroxyvalerate | ME446133 | 0.78 | 0.68 | NA | 0.54 | NA | 0.45 | 4.01 | 0.40 |
| glycosyl-N-stearoyl-sphingosine (d18:1/18:0) | ME446441 | 0.95 | 1.46 | 0.69 | 0.92 | 0.16 | 0.48 | 4.60 | 0.24 |
| N-acetylputrescine | ME446606 | 0.68 | 1.09 | 0.65 | 0.52 | 0.27 | 1.90 | 4.06 | 2.42 |
| heptanoate (7:0) | ME446454 | 1.09 | 0.96 | 0.71 | 1.04 | 0.10 | 0.31 | 3.36 | 2.31 |
| N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) | ME446568 | 0.69 | 0.84 | 0.60 | 1.01 | 0.61 | 1.55 | 3.43 | 1.76 |
| 1-palmitoyl-GPI (16:0) | ME446046 | 1.59 | 0.64 | 1.02 | 0.66 | 0.12 | 1.21 | 3.19 | 1.69 |
| N-propionylmethionine | ME446656 | 1.34 | 0.95 | 0.89 | 0.65 | 0.67 | 0.92 | 3.21 | 2.00 |
| methionine sulfone | ME446549 | 0.46 | 1.67 | 0.52 | 0.34 | 0.34 | 0.62 | 3.55 | 1.06 |
| alpha-hydroxyisovalerate | ME446224 | 0.28 | 2.16 | 0.35 | 0.38 | 0.72 | 0.31 | 2.82 | 1.87 |
| N-acetylleucine | ME446599 | 0.58 | 1.81 | 0.54 | 0.54 | 1.53 | 0.41 | 2.97 | 0.84 |
| N-acetylisoleucine | ME446598 | 0.65 | 1.78 | 0.53 | 0.60 | 0.98 | 0.42 | 2.38 | 1.42 |
| N-acetylvaline | ME446614 | 0.95 | 1.71 | 0.64 | 0.56 | 0.64 | 0.72 | 2.27 | 0.99 |
| oleanolate | ME446665 | 0.63 | 0.64 | 1.59 | 1.39 | 0.05 | 0.25 | 3.37 | 0.06 |
| N-stearoyl-sphingosine (d18:1/18:0)* | ME446658 | 0.73 | 1.08 | 0.53 | 1.07 | 0.33 | 1.21 | 2.78 | 1.37 |
| ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* | ME446297 | 0.90 | 0.92 | 0.67 | 1.11 | 0.47 | 0.89 | 3.20 | 1.12 |
| hexadecadienoate (16:2n6) | ME446457 | 0.59 | 1.26 | 0.63 | 1.09 | 0.37 | 0.72 | 2.86 | 1.01 |
| 1-palmitoyl-GPG (16:0)* | ME446045 | 0.91 | 0.73 | 1.57 | 0.97 | 0.36 | 0.68 | 2.72 | 0.85 |
| margarate (17:0) | ME446545 | 0.86 | 0.88 | 1.25 | 1.17 | 0.34 | 0.35 | 3.06 | 0.49 |
| linoleate (18:2n6) | ME446514 | 0.82 | 1.01 | 1.01 | 1.07 | 0.58 | 0.56 | 2.91 | 0.74 |
| nonadecanoate (19:0) | ME446648 | 0.72 | 1.07 | 1.03 | 1.17 | 0.39 | 0.44 | 2.82 | 0.51 |
| arachidonate (20:4n6) | ME446244 | 0.55 | 0.98 | 0.99 | 0.99 | 1.02 | 1.40 | 3.44 | 0.66 |
| 10-heptadecenoate (17:1n7) | ME446002 | 0.47 | 0.81 | 0.83 | 1.38 | 0.36 | 0.99 | 3.89 | 0.76 |
| docosapentaenoate (n3 DPA; 22:5n3) | ME446360 | 0.44 | 0.85 | 0.42 | 1.50 | 0.35 | 1.28 | 3.50 | 0.98 |
| 3-methyl-2-oxobutyrate | ME446136 | 0.82 | 0.64 | 1.36 | 1.58 | 1.22 | 0.42 | 3.83 | 0.39 |
| 17-methylstearate (i19:0) | ME446011 | 0.82 | 0.85 | 0.94 | 1.27 | 0.33 | 0.36 | 3.60 | 0.73 |
| 8-hydroxyguanine | ME446207 | 1.16 | 0.63 | 0.61 | 1.22 | 0.68 | 0.87 | 3.77 | 0.78 |
| trans-nonadecenoate (tr 19:1)* | ME446815 | 1.27 | 0.75 | 0.71 | 1.09 | 0.85 | 0.43 | 4.02 | 0.61 |
| putrescine | ME446736 | 1.30 | 0.96 | 1.08 | 0.19 | 0.44 | 0.86 | 5.15 | 2.05 |
| hyocholate | ME446473 | 0.96 | 0.74 | 0.72 | 0.98 | 1.19 | 1.59 | 4.71 | 1.29 |
| O-sulfo-L-tyrosine | ME446678 | 0.94 | 0.97 | 1.06 | 0.33 | 1.54 | 2.14 | 5.04 | 1.45 |
| valylglutamine | ME446847 | 0.71 | 0.81 | 0.69 | 0.97 | 1.47 | 2.99 | 2.28 | 0.58 |
| indolepropionate | ME446484 | 0.72 | 0.82 | 0.87 | 0.84 | 2.55 | 2.03 | 3.16 | 0.85 |
| phenylalanylalanine | ME446706 | 1.11 | 0.76 | 0.61 | 0.84 | 1.69 | 2.20 | 3.08 | 0.80 |
| N-methyl-GABA | ME446638 | 0.72 | 0.52 | 0.72 | 0.78 | 0.73 | 3.68 | 4.26 | 1.03 |
| dihomo-linoleate (20:2n6) | ME446344 | 0.39 | 0.99 | 0.62 | 1.04 | 0.70 | 2.34 | 4.40 | 0.47 |
| 3-dehydrocholate | ME446116 | 1.31 | 0.45 | 0.24 | 0.41 | 0.50 | 2.40 | 2.89 | 0.94 |
| anserine | ME446237 | 1.35 | 0.96 | 0.29 | 0.79 | 0.38 | 2.17 | 3.55 | 0.67 |
| 2-palmitoylglycerol (16:0) | ME446098 | 0.67 | 0.94 | 0.66 | 0.78 | 0.32 | 2.47 | 3.01 | 0.67 |
| 3-methylhistidine | ME446141 | 0.78 | 0.81 | 0.13 | 1.23 | 0.35 | 2.56 | 3.35 | 0.64 |
| glycyrrhetinate | ME446446 | 0.32 | 0.08 | NA | NA | 2.35 | NA | 3.55 | NA |
| 2-hydroxydecanoate | ME446080 | 0.56 | 1.05 | 0.75 | 0.76 | 2.86 | 1.34 | 3.36 | 1.04 |
| N6-formyllysine | ME446577 | 0.59 | 0.82 | 1.00 | 0.75 | 3.32 | 1.25 | 4.00 | 1.05 |
| ceramide (d18:2/24:1, d18:1/24:2)* | ME446298 | 0.92 | 0.78 | 0.62 | 0.98 | 1.99 | 0.75 | 4.05 | 1.15 |
| 2-linoleoylglycerol (18:2) | ME446089 | 0.69 | 0.96 | 1.01 | 0.99 | 2.10 | 0.32 | 3.97 | 0.51 |
| N-acetylphenylalanine | ME446604 | 0.99 | 1.07 | 0.82 | 0.72 | 2.59 | 0.40 | 3.64 | 0.93 |
| dehydrolithocholate | ME446329 | 0.94 | 0.60 | 0.67 | 1.29 | 3.16 | 0.79 | 5.02 | 0.98 |
| 1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)* | ME445995 | 0.76 | 0.68 | 1.00 | 0.58 | 3.88 | 0.55 | 4.49 | 1.72 |
| gamma-glutamylhistidine | ME446404 | 0.65 | 0.99 | 1.17 | 0.48 | 3.87 | 0.66 | 4.43 | 1.29 |
| creatinine | ME446316 | 1.71 | 0.20 | 1.04 | 0.90 | 1.75 | 0.29 | 4.11 | 1.94 |
| 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) | ME446039 | 1.51 | 0.52 | 0.89 | 0.67 | 1.76 | 1.51 | 2.78 | 2.05 |
| 1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)* | ME446014 | 0.87 | 0.62 | 1.15 | 0.55 | 2.47 | 0.48 | 3.29 | 2.73 |
| 1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)* | ME446036 | 0.78 | 0.85 | 0.87 | 0.87 | 2.37 | 0.62 | 2.47 | 2.08 |
| gamma-glutamylphenylalanine | ME446408 | 0.53 | 0.85 | 0.91 | 0.91 | 2.72 | 0.64 | 3.08 | 2.20 |
| S-carboxymethyl-L-cysteine | ME446761 | 0.47 | 0.53 | 1.34 | 0.47 | 1.95 | 1.10 | 4.00 | 3.46 |
| argininate* | ME446247 | 0.62 | 0.68 | 0.81 | 0.66 | 3.10 | 1.05 | 4.37 | 2.50 |
| salicylate | ME446758 | 1.22 | 0.64 | 0.63 | 0.60 | 2.34 | 1.27 | 4.26 | 2.17 |
| alpha-hydroxyisocaproate | ME446223 | 0.09 | 3.34 | 0.10 | 0.23 | 0.67 | 0.08 | 0.80 | 2.46 |
| chiro-inositol | ME446302 | 0.46 | 2.17 | 0.92 | 0.17 | 0.79 | 0.19 | 0.10 | 2.30 |
| fucitol | ME446390 | 0.78 | 3.96 | 1.72 | 0.57 | 0.80 | 0.48 | 0.41 | 1.22 |
| 2-hydroxy-3-methylvalerate | ME446076 | 0.24 | 2.98 | 0.18 | 0.38 | 0.51 | 0.19 | 1.71 | 1.35 |
| 3-(3-hydroxyphenyl)propionate sulfate | ME446102 | 0.47 | 3.17 | 0.43 | 0.57 | NA | 0.32 | 1.18 | 0.18 |
| eicosapentaenoate (EPA; 20:5n3) | ME446367 | 0.20 | 2.69 | 0.33 | 0.29 | 0.21 | 0.45 | 1.61 | 0.41 |
| N(1)-acetylspermine | ME446566 | 0.78 | 4.27 | 0.41 | 1.74 | NA | 0.28 | 0.61 | 0.31 |
| 4-acetamidobenzoate | ME446147 | 0.38 | 3.39 | 0.28 | 0.29 | 0.24 | 0.17 | 0.11 | 0.27 |
| secoisolariciresinol | ME446763 | 0.08 | 3.26 | 0.55 | 1.23 | NA | 0.11 | NA | 0.55 |
| alpha-tocopherol acetate | ME446228 | 3.36 | 0.01 | 2.25 | 0.05 | NA | 0.03 | 0.00 | 0.00 |
| 2^-deoxyadenosine | ME446070 | 2.91 | 0.58 | 0.75 | 0.46 | 1.04 | 1.29 | 1.06 | 0.83 |
| 5-hydroxylysine | ME446193 | 4.37 | 0.44 | 0.44 | 0.79 | 0.41 | 0.58 | 1.07 | 1.03 |
| 6-hydroxynicotinate | ME446198 | 3.50 | 0.31 | 0.45 | 0.63 | 0.32 | 0.86 | 0.41 | 0.91 |
| butyrylglycine | ME446276 | 3.09 | 0.44 | NA | 1.10 | 1.00 | NA | NA | 1.16 |
| 3-indoxyl sulfate | ME446134 | 2.62 | NA | 0.42 | 1.15 | NA | 0.10 | 0.05 | 0.03 |
| N-(2-furoyl)glycine | ME446567 | 3.68 | 0.08 | 0.13 | 1.07 | 0.07 | 0.06 | 0.06 | 0.06 |
| androstenediol (3beta,17beta) monosulfate (2) | ME446235 | 3.17 | 1.28 | 0.29 | 0.53 | NA | NA | NA | 0.08 |
| 1-methyl-beta-carboline-3-carboxylic acid | ME446021 | 2.38 | 0.96 | 0.49 | 1.42 | 0.05 | 0.04 | 0.09 | 0.05 |
| androstenediol (3alpha, 17alpha) monosulfate (2) | ME446231 | 2.20 | 1.38 | 0.52 | 1.03 | NA | 0.26 | 0.12 | 0.22 |
| 1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)* | ME445996 | 0.78 | 0.71 | 1.14 | 0.56 | 2.17 | 0.59 | 1.11 | 3.43 |
| 2-hydroxybutyrate/2-hydroxyisobutyrate | ME446079 | 0.79 | 0.67 | 0.89 | 0.68 | 1.84 | 1.13 | 1.92 | 3.63 |
| 4-ethylphenylsulfate | ME446153 | NA | 0.88 | NA | 0.41 | 0.58 | 1.12 | NA | 2.00 |
| glycitein | ME446433 | 0.12 | 0.52 | NA | NA | 0.80 | 1.00 | NA | 1.87 |
| dexlansoprazole | ME446335 | NA | 0.08 | NA | 0.34 | NA | 2.21 | NA | 2.28 |
| metoprolol acid metabolite* | ME446556 | 0.53 | 0.24 | 0.50 | 0.32 | NA | 2.26 | NA | 2.15 |
| 1-(1-enyl-palmitoyl)-GPE (P-16:0)* | ME445989 | 1.33 | 0.47 | 1.22 | 0.69 | 1.69 | 1.52 | 0.45 | 2.85 |
| genistein | ME446412 | 0.97 | 0.21 | 1.33 | 0.47 | 1.00 | 1.50 | 0.24 | 3.38 |
| tyramine | ME446827 | 1.23 | 1.10 | 0.79 | 0.52 | 0.91 | 1.38 | 0.12 | 2.69 |
| 21-hydroxypregnenolone disulfate | ME446064 | 0.69 | 0.57 | 0.60 | 0.68 | 0.81 | 1.88 | NA | 3.18 |
| androstenediol (3beta,17beta) disulfate (1) | ME446232 | 1.05 | 0.71 | 0.52 | 0.73 | 0.40 | 2.09 | 0.39 | 2.67 |
| stachydrine | ME446779 | 0.70 | 1.01 | 0.53 | 0.68 | 0.33 | 1.19 | 0.90 | 4.52 |
| 1-palmitoyl-GPS (16:0)* | ME446047 | 1.05 | 0.37 | 0.44 | 1.01 | NA | 1.32 | 0.63 | 3.78 |
| 3-(4-hydroxyphenyl)lactate | ME446103 | 1.16 | 0.62 | 0.77 | 0.87 | 0.38 | 0.79 | 0.85 | 3.99 |
| xylose | ME446856 | 0.98 | 0.80 | 1.15 | 0.77 | 0.58 | 0.85 | 0.55 | 3.82 |
| gamma-glutamylglycine | ME446403 | 1.29 | 0.25 | 1.19 | 0.74 | 0.59 | NA | 0.28 | 3.38 |
| 1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)* | ME446037 | 0.79 | 0.85 | 0.71 | 1.00 | 0.71 | 0.76 | 0.90 | 2.91 |
| dihydroferulic acid | ME446349 | 0.83 | 0.87 | 0.78 | 1.03 | 0.53 | 0.71 | 0.64 | 3.06 |
| furaneol sulfate | ME446393 | 0.45 | 1.01 | 0.88 | 0.97 | 0.27 | 1.11 | NA | 2.82 |
| thioproline | ME446807 | 0.63 | 1.06 | 0.54 | 1.11 | 0.91 | 0.61 | NA | 2.77 |
| 2-aminophenol sulfate | ME446069 | 1.07 | 0.51 | 0.86 | 1.29 | NA | 0.85 | 0.14 | 2.94 |
| 11-ketoetiocholanolone sulfate | ME446004 | 1.17 | 0.51 | 1.67 | 0.69 | 0.29 | 1.07 | 0.32 | 3.08 |
| 2-keto-3-deoxy-gluconate | ME446088 | 1.13 | 0.60 | 1.41 | 0.82 | 0.40 | 1.11 | 0.60 | 2.65 |
| daidzein | ME446326 | 0.67 | 0.52 | 0.92 | 0.68 | 1.04 | 2.98 | 0.20 | 4.25 |
| 2-(4-hydroxyphenyl)propionate | ME446055 | 0.31 | 1.25 | 0.24 | 0.36 | NA | 2.09 | NA | 3.48 |
| tryptamine | ME446823 | 1.35 | 0.80 | 0.27 | 0.46 | NA | 1.71 | NA | 3.59 |
| vanillactate | ME446850 | 0.91 | 0.72 | 0.60 | 0.56 | NA | 2.07 | NA | 4.13 |
| 1,2-dipalmitoyl-GPC (16:0/16:0) | ME445998 | 0.75 | 0.47 | 2.67 | 0.51 | 2.69 | 0.87 | 1.72 | 0.56 |
| cadaverine | ME446277 | 3.26 | 0.27 | 1.89 | 0.19 | 0.50 | 0.32 | 2.04 | 0.47 |
| 3-(4-hydroxyphenyl)propionate | ME446104 | 2.33 | 0.39 | 1.39 | 0.56 | 2.40 | 0.48 | 1.94 | 0.64 |
| N1,N12-diacetylspermine | ME446569 | 1.88 | 0.45 | 1.44 | 0.77 | 1.37 | 0.64 | 2.01 | 0.97 |
| eriodictyol | ME446374 | 0.94 | 0.42 | NA | NA | 0.33 | 2.37 | NA | NA |
| oleoylcholine | ME446669 | 1.82 | NA | NA | 0.60 | 0.97 | 1.43 | 0.18 | NA |
| 1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3) | ME446035 | 1.24 | 0.32 | 0.37 | 0.92 | 0.52 | 0.16 | 2.07 | 3.59 |
| caproate (6:0) | ME446283 | 0.60 | 0.66 | 0.48 | 1.47 | 0.47 | 0.67 | 2.11 | 2.70 |
| phytanate | ME446715 | 0.32 | 0.74 | 0.54 | 1.95 | 0.22 | 0.23 | 1.67 | 1.67 |
| pristanate | ME446727 | 0.60 | 0.99 | 0.38 | 1.26 | 0.37 | 0.32 | 2.26 | 1.72 |
| ponciretin | ME446722 | 1.50 | 0.09 | 1.35 | 0.16 | 0.25 | 2.21 | 0.52 | 1.49 |
| 2^-deoxycytidine | ME446072 | 1.40 | 0.52 | 1.70 | 0.50 | 0.50 | 2.22 | 0.92 | 1.83 |
| 4-acetamidobutanoate | ME446148 | 1.39 | 0.56 | 1.80 | 0.60 | 0.47 | 2.00 | 0.66 | 1.35 |
| nicotinate ribonucleoside | ME446635 | 1.03 | 0.69 | 1.49 | 0.69 | 0.80 | 1.81 | 0.20 | 2.16 |
| prolylglycine | ME446729 | 1.03 | 0.70 | 1.85 | 0.59 | 0.82 | 1.37 | 1.07 | 2.11 |
| piperidine | ME446720 | 1.71 | 0.83 | 1.51 | 0.57 | 0.11 | 0.64 | 0.16 | 1.98 |
| epicatechin | ME446372 | 2.16 | 0.41 | 0.84 | 0.30 | NA | 1.10 | 0.32 | 2.19 |
| nicotianamine | ME446631 | 1.94 | 0.59 | 1.24 | 0.56 | 0.69 | 1.20 | 0.34 | 2.60 |
| 3-methylglutaconate | ME446139 | 1.67 | NA | 1.27 | 0.45 | NA | 1.26 | NA | 0.89 |
| 2-methylcitrate/homocitrate | ME446091 | 1.09 | 0.83 | 1.25 | 0.86 | 0.12 | 1.77 | 0.17 | 1.26 |
| alpha-CEHC sulfate | ME446222 | 0.73 | 0.66 | 1.15 | 0.99 | NA | 1.47 | NA | 1.26 |
| 2-aminophenol | ME446068 | 1.30 | 0.62 | 1.12 | 1.04 | 0.24 | 1.27 | 0.32 | 1.91 |
| N-acetylaspartate (NAA) | ME446584 | 1.43 | 0.75 | 1.05 | 0.92 | 0.01 | 1.39 | 0.02 | 1.53 |
| xanthurenate | ME446855 | 1.85 | 0.86 | 0.86 | 0.94 | 0.16 | 1.27 | NA | 1.62 |
| thymidine 5^-monophosphate | ME446814 | 2.02 | 0.84 | 0.93 | 1.11 | 2.07 | 0.16 | 0.96 | 0.27 |
| 2^-deoxyadenosine 5^-monophosphate | ME446071 | 1.32 | 0.79 | 0.91 | 1.47 | 1.91 | 0.14 | 0.58 | 0.21 |
| 2^-deoxycytidine 5^-monophosphate | ME446327 | 1.21 | 0.83 | 0.86 | 1.43 | 2.25 | 0.15 | 0.80 | 0.37 |
| 1,2-dilinoleoyl-GPC (18:2/18:2) | ME445997 | 1.59 | 0.69 | 1.74 | 0.74 | 1.95 | 0.27 | 0.96 | 0.32 |
| 4-hydroxycyclohexylcarboxylic acid | ME446159 | 0.75 | 1.33 | 1.45 | 0.72 | 2.07 | 0.47 | 0.79 | 0.27 |
| 3b-hydroxy-5-cholenoic acid | ME446113 | 0.98 | 1.46 | 0.57 | 0.93 | 1.54 | 0.47 | 0.90 | 0.54 |
| N-acetyl-1-methylhistidine* | ME446579 | 0.94 | 1.42 | 0.41 | 1.05 | 1.46 | 0.84 | 0.31 | 0.55 |
| 3,4-dihydroxyphenylacetate | ME446108 | 0.88 | 1.07 | 1.12 | 1.20 | 1.49 | 0.53 | NA | 0.23 |
| ibuprofen | ME446475 | 0.65 | 1.29 | 1.10 | 1.07 | 1.80 | NA | 0.32 | 0.12 |
| adenosine 5^-monophosphate (AMP) | ME446230 | 0.69 | 1.02 | 0.84 | 1.47 | 1.37 | 0.44 | 0.76 | 0.46 |
| phosphate | ME446711 | 1.01 | 0.90 | 0.95 | 1.55 | 0.87 | 0.43 | 0.29 | 0.20 |
| palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* | ME446691 | 1.12 | 0.64 | 1.33 | 1.16 | 2.36 | 0.83 | 0.76 | 0.45 |
| palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* | ME446693 | 0.87 | 0.54 | 1.07 | 1.46 | 1.86 | 1.32 | 0.55 | 0.62 |
| tyrosol | ME446830 | 0.90 | 0.73 | 0.59 | 1.45 | 2.21 | 0.99 | 0.94 | 0.49 |
| glucose | ME446416 | 0.72 | 0.82 | 1.52 | 0.81 | 1.46 | 1.79 | 0.49 | 1.25 |
| dihydrocaffeate | ME446348 | 1.00 | 0.98 | 1.00 | 1.00 | 1.78 | 1.36 | 0.59 | 0.58 |
| isocaproate (i6:0) | ME446488 | 0.92 | 0.94 | 0.91 | 0.88 | 1.50 | 1.84 | 0.80 | 0.64 |
| bilirubin (Z,Z) | ME446268 | 1.20 | 0.97 | 0.71 | 1.13 | 1.20 | 1.11 | 0.04 | 1.04 |
| biliverdin | ME446271 | 1.33 | 0.97 | 0.97 | 0.93 | 1.12 | 1.08 | 0.13 | 0.75 |
| kynurenine | ME446496 | 1.43 | 0.89 | 1.04 | 0.76 | 1.55 | 0.89 | 0.91 | 1.25 |
| N1-Methyl-2-pyridone-5-carboxamide | ME446570 | 1.69 | 0.92 | 0.91 | 0.85 | 1.56 | 0.92 | 1.07 | 0.91 |
| palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* | ME446692 | 1.09 | 0.73 | 1.38 | 1.09 | 1.54 | 0.95 | 0.44 | 0.70 |
| glycerol 3-phosphate | ME446426 | 1.21 | 0.86 | 1.03 | 1.23 | 1.56 | 0.45 | 0.43 | 0.52 |
| N-delta-acetylornithine | ME446623 | 1.33 | 0.97 | 1.00 | 0.99 | 1.48 | 0.53 | 0.91 | 0.59 |
| 2-isopropylmalate | ME446087 | 1.28 | 0.22 | 2.85 | 0.47 | 0.34 | 1.59 | 0.42 | 1.66 |
| lactobionate | ME446498 | 1.11 | 0.61 | 2.24 | 0.55 | 0.28 | 0.93 | 0.24 | 1.70 |
| carnitine | ME446288 | 0.65 | 0.65 | 2.64 | 0.75 | 0.35 | 0.95 | 0.66 | 1.03 |
| fructose | ME446389 | 0.61 | 0.54 | 2.92 | 0.50 | 0.51 | 1.02 | 0.54 | 1.75 |
| N-acetylthreonine | ME446611 | 0.33 | 0.99 | 1.75 | 0.83 | 0.58 | 1.14 | 0.76 | 1.39 |
| glutarate (C5-DC) | ME446423 | 0.63 | 1.02 | 2.05 | 0.81 | 0.09 | 1.25 | 0.39 | 0.83 |
| maltose | ME446540 | 1.00 | 0.73 | 1.99 | 0.79 | 0.58 | 1.62 | 0.32 | 0.63 |
| myristoylcarnitine (C14) | ME446564 | 1.16 | 1.03 | 1.72 | 0.42 | 0.47 | 1.36 | 0.32 | 0.92 |
| 4-hydroxyhippurate | ME446161 | 1.06 | 0.12 | 1.95 | 1.36 | 0.59 | 0.37 | NA | 1.65 |
| cinnamate | ME446309 | 1.33 | 0.49 | 1.64 | 1.97 | 0.52 | 0.64 | 0.36 | 1.04 |
| 15-methylpalmitate (i17:0) | ME446009 | 1.33 | 0.86 | 1.51 | 1.01 | 0.36 | 0.27 | 1.52 | 0.50 |
| glycosyl ceramide (d18:1/20:0, d16:1/22:0)* | ME446439 | 0.92 | 1.05 | 1.85 | 1.00 | NA | 0.33 | 1.60 | 0.29 |
| 2-hydroxybehenate | ME446078 | 0.99 | 1.14 | 1.08 | 1.22 | 0.49 | 0.27 | 0.85 | 0.27 |
| N-methylpipecolate | ME446643 | 1.35 | 0.96 | 1.13 | 1.12 | 0.42 | 0.35 | 0.75 | 0.52 |
| N-acetylpyrraline | ME446607 | 0.92 | 1.16 | 1.64 | 1.23 | 0.34 | 0.49 | 0.40 | 0.16 |
| trigonelline (N^-methylnicotinate) | ME446821 | 0.91 | 0.83 | 1.69 | 1.22 | 0.43 | 0.26 | 1.01 | 0.28 |
| taurodeoxycholate | ME446799 | 0.35 | 0.80 | 1.62 | 1.21 | NA | 0.06 | NA | 0.75 |
| catechol sulfate | ME446293 | 0.55 | 1.05 | 1.83 | 1.37 | NA | 0.36 | 0.22 | 0.23 |
| serotonin | ME446767 | 0.40 | 0.67 | 2.08 | 1.41 | 0.08 | 0.57 | 0.09 | 0.26 |
| galacturonate | ME446396 | 1.35 | 0.52 | 2.26 | 0.93 | 0.09 | 0.47 | 0.43 | 0.70 |
| oxalate (ethanedioate) | ME446679 | 1.32 | 0.81 | 2.38 | 0.62 | 0.14 | 0.79 | 0.31 | 0.38 |
| p-cresol | ME446697 | 1.42 | 0.90 | 1.91 | 0.75 | 0.50 | 0.80 | 0.40 | 0.68 |
| 2,3-dihydroxyisovalerate | ME446057 | 1.27 | 0.63 | 1.99 | 0.92 | 0.75 | 0.54 | 0.53 | 0.61 |
| 2-oxo-1-pyrrolidinepropionate | ME446096 | 1.21 | 0.84 | 1.80 | 0.97 | 0.59 | 0.65 | 0.63 | 0.44 |
| 1-linolenoylglycerol (18:3) | ME446013 | 1.37 | 0.78 | 1.75 | 0.99 | 0.18 | 0.24 | 0.71 | 0.63 |
| laurate (12:0) | ME446504 | 1.77 | 0.74 | 1.86 | 0.67 | 0.12 | 0.57 | 0.63 | 0.59 |
| dihydoxyphenylalanine (L-DOPA) | ME446347 | 0.93 | 0.90 | 2.09 | 0.97 | 0.17 | 0.54 | 0.33 | 0.87 |
| 13-HOTrE | ME446008 | 0.99 | 1.12 | 1.94 | 0.78 | NA | 0.23 | 0.54 | 0.62 |
| linolenate [alpha or gamma; (18:3n3 or 6)] | ME446515 | 0.82 | 0.95 | 1.86 | 1.08 | 0.06 | 0.23 | 0.39 | 0.71 |
| 2-oxindole-3-acetate | ME446095 | 1.42 | 1.15 | 1.73 | 0.65 | 0.07 | 0.40 | 0.03 | 1.05 |
| indole | ME446478 | 1.16 | 1.15 | 1.81 | 0.71 | NA | 0.65 | NA | 0.36 |
| carboxyibuprofen | ME446287 | 0.86 | 0.91 | 1.98 | 1.16 | 0.87 | NA | 0.16 | 0.30 |
| arabitol/xylitol | ME446241 | 0.66 | 0.41 | 2.29 | 1.01 | 0.88 | 0.40 | 0.43 | 1.33 |
| diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* | ME446339 | 0.75 | 0.63 | 1.87 | 1.30 | 0.77 | 0.55 | 0.41 | 0.74 |
| erythrose | ME446378 | 0.80 | 0.75 | 2.12 | 0.96 | 0.71 | 0.50 | 0.37 | 1.03 |
| diacetylchitobiose | ME446338 | 0.29 | 0.94 | 0.28 | 1.45 | NA | NA | NA | 2.26 |
| diosmetin | ME446354 | 0.34 | NA | NA | 1.49 | 0.40 | 0.14 | 0.12 | 2.08 |
| S-allylcysteine | ME446759 | NA | 0.60 | 0.26 | 1.20 | NA | 0.92 | NA | 1.61 |
| protoporphyrin IX | ME446732 | 0.98 | 0.83 | 0.52 | 1.56 | 0.03 | 0.65 | 0.11 | 1.37 |
| 2,4-dihydroxyhydrocinnamate | ME446060 | 1.32 | 0.75 | 0.57 | 1.18 | NA | 0.58 | NA | 1.99 |
| orotate | ME446676 | 1.24 | 0.92 | 0.65 | 1.23 | 0.19 | 0.65 | 0.30 | 1.69 |
| L-urobilin | ME446531 | 0.66 | 1.06 | 0.78 | 1.14 | NA | 0.79 | 0.02 | 2.04 |
| N-methylproline | ME446644 | 0.66 | 1.03 | 0.43 | 1.54 | 0.33 | 0.68 | 0.29 | 1.75 |
| N-stearoyl-sphinganine (d18:0/18:0)* | ME446657 | 0.54 | 1.15 | 0.45 | 1.40 | 0.22 | 1.05 | 0.50 | 1.63 |
| 3-hydroxypyridine | ME446129 | 1.36 | 0.78 | 0.72 | 1.31 | 0.86 | 0.57 | 1.94 | 0.53 |
| 3-methyl-2-oxovalerate | ME446137 | 0.80 | 0.69 | 1.39 | 1.60 | 0.40 | 0.51 | 1.73 | 0.55 |
| 4-hydroxyphenylpyruvate | ME446163 | 0.73 | 0.83 | 1.07 | 1.41 | 0.87 | 0.72 | 2.14 | 0.82 |
| stearate (18:0) | ME446780 | 0.78 | 1.06 | 1.04 | 1.18 | 0.50 | 0.51 | 2.26 | 0.49 |
| 1-methylurate | ME446026 | 1.02 | 0.94 | 0.61 | 1.41 | 0.14 | 0.70 | 2.03 | 0.55 |
| 3-hydroxypalmitate | ME446127 | 0.70 | 1.40 | 0.42 | 1.40 | 0.01 | 1.01 | 1.99 | 0.23 |
| 5-acetylamino-6-formylamino-3-methyluracil | ME446172 | 1.22 | 1.42 | 0.60 | 1.11 | 0.12 | 0.22 | 1.29 | 0.47 |
| hexadecatrienoate (16:3n3) | ME446461 | 0.91 | 1.38 | 0.29 | 1.21 | 0.26 | 0.39 | 1.68 | 0.52 |
| 2-hydroxypalmitate | ME446085 | 1.06 | 1.13 | 1.06 | 1.15 | 0.57 | 0.18 | 1.70 | 0.37 |
| docosadienoate (22:2n6) | ME446358 | 0.99 | 1.28 | 1.00 | 1.05 | 0.32 | 0.27 | 1.78 | 0.24 |
| 2-hydroxylaurate | ME446084 | 0.99 | 1.10 | 1.03 | 1.05 | 0.58 | 0.51 | 1.49 | 0.71 |
| 6-oxolithocholate | ME446199 | 0.72 | 1.23 | 1.01 | 1.10 | 0.47 | 0.55 | 1.50 | 0.60 |
| 1-methylxanthine | ME446027 | 0.97 | 1.24 | 0.70 | 1.13 | 0.16 | 0.74 | 1.59 | 0.92 |
| N-trimethyl 5-aminovalerate | ME446660 | 0.89 | 1.17 | 0.69 | 1.15 | 0.52 | 0.73 | 1.66 | 0.76 |
| S-methylcysteine | ME446772 | 0.60 | 1.22 | 1.48 | 0.70 | 0.81 | 0.56 | 1.69 | 1.21 |
| myristate (14:0) | ME446562 | 0.87 | 0.75 | 1.56 | 1.06 | 0.37 | 0.55 | 1.75 | 1.19 |
| N-acetylglucosaminylasparagine | ME446592 | 0.74 | 0.79 | 1.32 | 1.05 | 0.90 | 0.87 | 1.84 | 1.36 |
| N-acetylneuraminate | ME446603 | 0.82 | 0.84 | 1.25 | 1.08 | 0.68 | 0.54 | 2.20 | 1.17 |
| 7-methylxanthine | ME446206 | 1.54 | 0.58 | 1.12 | 0.91 | NA | 0.86 | 1.61 | 1.10 |
| 1-stearoyl-GPG (18:0) | ME446052 | 1.05 | 0.91 | 0.90 | 1.03 | 0.25 | 0.91 | 1.80 | 1.13 |
| N-propionylalanine | ME446655 | 1.24 | 1.12 | 0.61 | 0.88 | 0.52 | 1.13 | 1.78 | 1.10 |
| glutamyl-meso-diaminopimelate | ME446422 | 0.85 | 1.19 | 0.74 | 1.88 | NA | 0.65 | 1.01 | 0.85 |
| margaroylcarnitine (C17)* | ME446546 | 0.60 | 1.00 | 0.56 | 1.61 | 0.23 | 1.02 | 1.35 | 0.96 |
| 1,7-dimethylurate | ME446001 | 0.93 | 1.17 | 0.46 | 1.22 | 0.09 | 0.73 | 1.38 | 1.18 |
| N-formylanthranilic acid | ME446627 | 1.07 | 1.04 | 0.65 | 1.27 | 0.21 | 0.72 | 0.97 | 0.92 |
| N-acetyl-3-methylhistidine* | ME446580 | 1.60 | 0.90 | 0.27 | 1.19 | 0.23 | 1.18 | 1.07 | 0.58 |
| linoleoyl ethanolamide | ME446519 | 1.44 | 0.75 | 0.80 | 1.49 | 0.03 | 0.84 | 0.79 | 0.36 |
| mevalonate 5-diphosphate | ME446558 | 1.20 | 1.02 | 0.98 | 1.27 | NA | 0.52 | 1.09 | 0.47 |
| methyl indole-3-acetate | ME446552 | 0.64 | 1.08 | 1.67 | 1.21 | NA | 0.66 | NA | 1.44 |
| beta-cryptoxanthin | ME446262 | 0.57 | 1.59 | 1.01 | 0.83 | 0.10 | 0.54 | 0.16 | 1.43 |
| hydroxymethylpyrimidine | ME446471 | 0.71 | 1.59 | 0.97 | 0.81 | 0.46 | 0.29 | 0.65 | 1.18 |
| 5alpha-androstan-3beta,17alpha-diol monosulfate (2) | ME446179 | 1.50 | 1.37 | 0.39 | 1.03 | NA | 0.37 | NA | 1.10 |
| 5-hydroxyhexanoate | ME446192 | 1.12 | 1.05 | 1.45 | 0.92 | 0.14 | 0.37 | 0.73 | 1.27 |
| 2,3-dimethylsuccinate | ME446058 | 1.10 | 1.03 | 1.22 | 0.95 | NA | 0.52 | 0.61 | 0.82 |
| dopamine | ME446362 | 1.06 | 1.04 | 1.43 | 1.01 | 0.24 | 0.61 | 0.55 | 0.52 |
| 1,3-dimethylurate | ME446000 | 0.81 | 1.26 | 0.98 | 1.06 | NA | 0.47 | 0.90 | 0.85 |
| quinate | ME446744 | 0.94 | 1.09 | 1.18 | 1.00 | 0.10 | 0.73 | 0.90 | 1.08 |
| 2-aminoadipate | ME446066 | 1.04 | 1.11 | 0.75 | 1.11 | 0.26 | 1.15 | 0.53 | 0.89 |
| N-acetylglutamate | ME446593 | 1.14 | 1.12 | 0.94 | 0.96 | 0.25 | 1.15 | 0.31 | 0.98 |
| lanosterol | ME446503 | 0.93 | 1.12 | 1.02 | 1.06 | 0.37 | 0.92 | 0.67 | 0.87 |
| behenoylcarnitine (C22)* | ME446257 | 1.12 | 1.07 | 1.03 | 1.02 | 0.40 | 1.16 | 0.44 | 0.67 |
| oleoyl ethanolamide | ME446667 | 1.01 | 1.22 | 0.97 | 1.04 | 0.33 | 0.95 | 0.48 | 0.57 |
| palmitoyl ethanolamide | ME446686 | 0.96 | 1.17 | 0.98 | 1.08 | 0.31 | 1.00 | 0.34 | 0.71 |
| 16a-hydroxy DHEA 3-sulfate | ME446010 | 1.13 | 1.31 | 0.74 | 1.02 | NA | 0.98 | 0.20 | 0.85 |
| 3-methylglutarate/2-methylglutarate | ME446140 | 1.06 | 1.09 | 1.08 | 1.01 | 0.05 | 0.92 | 0.27 | 0.85 |
| tricarballylate | ME446819 | 1.00 | 1.25 | 0.95 | 1.06 | 0.16 | 0.95 | 0.06 | 0.66 |
| 4-hydroxybenzyl alcohol | ME446156 | 1.16 | 0.90 | 0.78 | 1.01 | NA | 1.26 | NA | 0.90 |
| methylsuccinate | ME446555 | 1.21 | 1.15 | 1.04 | 0.92 | 0.04 | 1.22 | 0.07 | 0.75 |
| 3,5-dihydroxybenzoic acid | ME446109 | 1.45 | 0.80 | 1.08 | 1.09 | 0.56 | 0.94 | NA | 0.93 |
| dimethylmalonic acid | ME446353 | 1.08 | 0.95 | 1.11 | 0.95 | NA | 0.92 | NA | 1.04 |
| fumarate | ME446392 | 1.22 | 0.91 | 1.23 | 0.89 | 0.10 | 1.01 | 0.09 | 1.23 |
| pimelate (C7-DC) | ME446718 | 1.29 | 0.83 | 1.08 | 1.03 | 0.31 | 1.07 | 0.49 | 0.95 |
| alpha-tocopherol | ME446227 | 1.46 | 0.97 | 1.23 | 0.89 | 0.22 | 0.86 | 0.43 | 0.74 |
| N-carbamoylglutamate | ME446621 | 1.36 | 0.71 | 1.15 | 1.01 | NA | 0.94 | 0.27 | 0.81 |
| undecanedioate (C11-DC) | ME446832 | 1.16 | 1.33 | 0.78 | 0.84 | 0.18 | 0.93 | 0.27 | 1.21 |
| 4-hydroxyglutamate | ME446160 | 1.45 | 0.89 | 0.91 | 0.89 | NA | 1.03 | 0.43 | 1.24 |
| maltol | ME446539 | 1.19 | 0.97 | 0.89 | 0.94 | NA | 0.92 | 0.47 | 1.47 |
| homocitrulline | ME446467 | 1.24 | 1.04 | 0.95 | 0.95 | 0.25 | 0.99 | 0.43 | 1.48 |
| pyridoxate | ME446739 | 1.19 | 0.99 | 1.09 | 0.87 | 0.30 | 1.14 | 0.39 | 1.45 |
| hexadecanedioate (C16-DC) | ME446458 | 0.80 | 1.17 | 0.69 | 1.05 | 0.33 | 1.36 | 0.27 | 1.46 |
| 3-hydroxysuberate | ME446132 | 0.94 | 0.95 | 0.84 | 1.07 | NA | 1.31 | 0.52 | 1.26 |
| hydantoin-5-propionic acid | ME446469 | 0.81 | 0.91 | 0.87 | 1.23 | 0.31 | 1.22 | 0.72 | 1.11 |
| 1-methylimidazoleacetate | ME446024 | 1.40 | 0.97 | 0.69 | 1.14 | 0.38 | 0.82 | 0.57 | 1.03 |
| carotene diol (1) | ME446290 | 1.18 | 1.28 | 0.62 | 1.05 | 0.27 | 0.49 | 0.50 | 1.15 |
| glutamate, gamma-methyl ester | ME446419 | 1.07 | 0.91 | 1.12 | 1.03 | 0.63 | 0.90 | 0.55 | 1.31 |
| quinolinate | ME446746 | 1.05 | 0.87 | 1.07 | 1.13 | 0.41 | 0.84 | 0.31 | 1.33 |
| nicotinamide | ME446632 | 0.74 | 1.16 | 0.98 | 1.16 | 0.44 | 0.58 | 0.63 | 1.17 |
| suberate (C8-DC) | ME446786 | 0.98 | 1.08 | 0.93 | 1.15 | 0.32 | 0.64 | 0.29 | 1.24 |
| caffeine | ME446280 | 0.66 | 0.97 | 1.02 | 1.33 | 0.08 | 0.89 | 0.52 | 1.50 |
| N-acetylcysteine | ME446589 | 0.92 | 0.90 | 1.05 | 1.29 | NA | 0.66 | 0.29 | 1.01 |
| theophylline | ME446805 | 0.79 | 0.99 | 0.86 | 1.32 | NA | 0.74 | 0.56 | 0.96 |
| 3-aminoisobutyrate | ME446111 | 1.58 | 0.99 | 0.90 | 1.17 | 0.52 | 0.56 | 0.49 | 0.50 |
| 4-cholesten-3-one | ME446152 | 1.37 | 0.98 | 0.84 | 1.27 | 0.23 | 0.63 | 0.24 | 0.48 |
| dipicolinate | ME446357 | 1.38 | 1.18 | 1.06 | 0.93 | NA | 0.38 | 0.12 | 0.47 |
| octadecanedioate (C18-DC) | ME446663 | 1.34 | 1.13 | 1.08 | 0.89 | 0.33 | 0.32 | NA | 0.58 |
| azelate (C9-DC) | ME446253 | 1.21 | 1.05 | 1.14 | 1.07 | 0.25 | 0.56 | 0.26 | 0.79 |
| sebacate (C10-DC) | ME446762 | 1.19 | 1.04 | 1.09 | 1.04 | 0.23 | 0.61 | 0.35 | 0.66 |
| carotene diol (2) | ME446291 | 1.19 | 1.23 | 0.89 | 1.01 | 0.32 | 0.48 | 0.37 | 0.88 |
| carotene diol (3) | ME446292 | 1.17 | 1.28 | 0.84 | 1.05 | 0.15 | 0.48 | 0.22 | 0.84 |
| beta-muricholate | ME446266 | 1.14 | 1.13 | 0.97 | 1.13 | 0.15 | 0.48 | 0.05 | 0.56 |
| indolin-2-one | ME446485 | 1.15 | 1.24 | 0.90 | 1.06 | 0.30 | 0.35 | 0.13 | 0.70 |
| 3-methyladipate | ME446138 | 1.29 | 1.25 | 0.61 | 1.05 | NA | 0.46 | 0.07 | 0.50 |
| 5alpha-androstan-3beta,17beta-diol monosulfate (1) | ME446181 | 1.08 | 1.14 | 0.60 | 1.06 | NA | 0.61 | NA | 1.06 |
| flavin mononucleotide (FMN) | ME446387 | 1.23 | 0.98 | 0.76 | 1.08 | NA | 0.61 | NA | 0.82 |
| 5-hydroxymethylfurfural | ME446194 | 0.94 | 1.58 | 0.88 | 0.81 | NA | 0.31 | 0.48 | 0.78 |
| sitostanol | ME446770 | 0.84 | 1.47 | 0.70 | 0.93 | NA | 0.59 | 0.13 | 0.96 |
| xanthosine | ME446854 | 0.71 | 1.23 | 0.99 | 1.23 | 0.25 | 0.63 | 0.52 | 0.47 |
| delta-tocopherol | ME446330 | 0.77 | 1.27 | 0.93 | 1.15 | 0.17 | 0.81 | 0.45 | 0.72 |
| gamma-tocopherol/beta-tocopherol | ME446410 | 0.83 | 1.29 | 0.91 | 1.15 | 0.20 | 0.65 | 0.49 | 0.67 |
| 5-acetylamino-6-amino-3-methyluracil | ME446171 | 0.88 | 1.22 | 0.72 | 1.31 | NA | 0.22 | 0.43 | 0.45 |
| palmitoylcholine | ME446689 | 0.73 | 1.21 | 1.01 | 1.19 | 0.11 | 0.37 | 0.27 | 0.51 |
| coprostanol | ME446314 | 0.72 | 1.60 | 0.87 | 0.96 | NA | 0.51 | 0.11 | 0.47 |
| 3-carboxyadipate | ME446115 | 0.98 | 1.30 | 1.18 | 1.08 | 0.05 | 0.32 | 0.07 | 0.30 |
| 4-oxo-retinoic acid | ME446168 | 0.88 | 1.18 | 1.13 | 0.94 | NA | 0.45 | NA | 0.59 |
| 5alpha-androstan-3beta,17alpha-diol monosulfate (1) | ME446178 | 0.86 | 1.30 | 1.26 | 0.94 | NA | 0.45 | NA | 0.67 |
| guanosine-2^,3^-cyclic monophosphate | ME446450 | 0.94 | 1.38 | 0.58 | 0.86 | NA | NA | 0.38 | 0.40 |
| dihydroorotate | ME446350 | 1.11 | 1.13 | 0.44 | 1.52 | 0.12 | 0.22 | 0.33 | 0.46 |
| paraxanthine | ME446696 | 0.97 | 1.04 | 0.48 | 1.31 | NA | 0.50 | 0.54 | 0.73 |
| epiandrosterone sulfate | ME446371 | 1.07 | 1.65 | 0.37 | 1.10 | 0.64 | 1.02 | 1.07 | 0.76 |
| pterin | ME446735 | 1.05 | 1.25 | 0.58 | 1.18 | 0.72 | 0.51 | 0.21 | 0.54 |
| 3,4-dihydroxybenzoate | ME446107 | 0.92 | 1.62 | 0.78 | 0.85 | 0.51 | 0.42 | 0.89 | 0.55 |
| biotin | ME446273 | 0.92 | 1.31 | 0.64 | 1.14 | 0.56 | 0.45 | 0.84 | 0.52 |
| 1-methylguanidine | ME446022 | 0.97 | 1.33 | 0.56 | 1.22 | 0.28 | 0.64 | 0.59 | 0.60 |
| stearoyl ethanolamide | ME446782 | 0.86 | 1.23 | 0.64 | 1.27 | 0.50 | 0.76 | 0.72 | 0.65 |
| enterolactone | ME446370 | 0.41 | 1.41 | 0.79 | 1.38 | 0.09 | 0.86 | 0.16 | 0.41 |
| anthranilate | ME446238 | 0.59 | 1.10 | 0.96 | 1.07 | NA | 0.81 | NA | NA |
| caffeate | ME446278 | 0.73 | 1.47 | 1.15 | 0.81 | 0.19 | 1.01 | NA | 0.21 |
| 3-hydroxycinnamate | ME446120 | 0.83 | 1.26 | NA | 1.16 | NA | 0.85 | 0.32 | 0.77 |
| cholate sulfate | ME446304 | 1.31 | 1.59 | 0.47 | 1.20 | 0.05 | 0.86 | 0.39 | 0.37 |
| p-cresol sulfate | ME446698 | 1.04 | 1.08 | 0.57 | 1.40 | 0.10 | 1.26 | 0.20 | 0.27 |
| 5alpha-androstan-3beta,17alpha-diol disulfate | ME446177 | 1.28 | 1.04 | 0.35 | 1.39 | NA | 1.00 | NA | 0.63 |
| ursodeoxycholate sulfate (1) | ME446839 | 1.03 | 1.12 | 0.49 | 1.38 | NA | 1.03 | 0.06 | 0.48 |
| S-methylmethionine | ME446773 | 0.69 | 1.42 | 1.28 | 0.68 | 1.21 | 1.24 | 0.55 | 0.22 |
| palmitoleoylcarnitine (C16:1)* | ME446683 | 0.47 | 1.48 | 1.23 | 0.79 | 0.45 | 0.85 | 0.51 | 0.75 |
| linoleoylcarnitine (C18:2)* | ME446521 | 0.93 | 1.20 | 1.44 | 0.77 | 0.93 | 0.72 | 0.74 | 0.97 |
| valine betaine | ME446845 | 0.86 | 1.09 | 1.44 | 1.00 | 0.63 | 0.96 | 0.39 | 0.66 |
| 3-sulfo-L-alanine | ME446145 | 0.58 | 1.06 | 0.74 | 1.12 | 0.38 | 1.17 | 1.60 | 1.56 |
| ceramide (d18:1/14:0, d16:1/16:0)* | ME446295 | 0.53 | 0.98 | 0.72 | 1.23 | 0.98 | 1.05 | 1.57 | 1.59 |
| cis-4-hydroxycyclohexylacetic acid | ME446310 | 0.65 | 1.16 | 0.79 | 1.05 | 1.04 | 1.12 | 1.06 | 1.50 |
| kynurenate | ME446495 | 0.69 | 1.03 | 0.93 | 0.99 | 1.15 | 1.17 | 1.32 | 1.63 |
| ceramide (d18:1/17:0, d17:1/18:0)* | ME446296 | 0.74 | 1.07 | 0.62 | 1.18 | 0.79 | 0.84 | 1.58 | 1.17 |
| leucylglycine | ME446509 | 0.88 | 1.06 | 0.44 | 1.32 | 0.84 | 0.75 | 1.18 | 1.25 |
| N-palmitoyl-sphinganine (d18:0/16:0) | ME446652 | 0.75 | 1.10 | 0.58 | 1.25 | 0.72 | 1.02 | 0.89 | 1.30 |
| O-acetylhomoserine | ME446661 | 1.10 | 1.33 | 0.83 | 0.75 | 0.83 | 0.94 | 1.20 | 0.87 |
| 7-ketocholesterol | ME446201 | 1.08 | 1.06 | 0.71 | 1.19 | 0.71 | 0.72 | 1.14 | 0.78 |
| leucylalanine | ME446507 | 1.03 | 0.97 | 0.71 | 1.18 | 0.84 | 0.81 | 1.37 | 0.98 |
| dimethylglycine | ME446352 | 1.37 | 0.90 | 0.90 | 1.01 | 0.92 | 0.74 | 1.29 | 0.88 |
| beta-sitosterol | ME446267 | 1.34 | 0.93 | 0.87 | 1.04 | 0.68 | 0.86 | 1.20 | 0.81 |
| campesterol | ME446281 | 1.20 | 1.01 | 0.79 | 1.07 | 0.57 | 0.88 | 1.39 | 0.82 |
| N-acetylcitrulline | ME446588 | 1.33 | 0.94 | 0.97 | 0.96 | 0.69 | 1.18 | 0.87 | 0.81 |
| stigmasterol | ME446785 | 1.31 | 0.98 | 0.87 | 1.09 | 0.64 | 0.88 | 0.82 | 0.64 |
| beta-guanidinopropanoate | ME446263 | 1.36 | 1.19 | 0.72 | 0.87 | 0.64 | 0.84 | 0.99 | 0.89 |
| ursodeoxycholate sulfate (2) | ME446840 | 1.46 | 0.99 | 0.96 | 0.83 | 0.45 | 0.89 | 1.17 | 0.90 |
| N-methylglutamate | ME446639 | 1.28 | 0.83 | 1.01 | 1.17 | 0.78 | 0.67 | 0.68 | 0.85 |
| sedoheptulose | ME446765 | 1.35 | 0.88 | 1.10 | 0.97 | 1.01 | 0.68 | 0.69 | 1.19 |
| alpha-tocotrienol | ME446229 | 1.19 | 1.20 | 1.01 | 0.89 | 0.37 | 0.67 | 0.66 | 0.94 |
| gamma-tocotrienol | ME446411 | 1.14 | 1.24 | 0.87 | 0.93 | 0.50 | 0.71 | 0.83 | 0.84 |
| pipecolate | ME446719 | 1.13 | 1.12 | 0.71 | 1.10 | 0.74 | 0.81 | 0.73 | 0.87 |
| cerotoylcarnitine (C26)* | ME446299 | 1.00 | 1.13 | 0.85 | 1.12 | 0.56 | 0.68 | 0.75 | 0.97 |
| maleate | ME446535 | 1.08 | 1.12 | 1.01 | 1.00 | 0.71 | 0.57 | 0.64 | 0.94 |
| thymine | ME446812 | 0.67 | 1.24 | 1.12 | 1.01 | 0.66 | 0.69 | 0.89 | 0.90 |
| palmitate (16:0) | ME446681 | 0.85 | 1.03 | 1.06 | 1.17 | 0.74 | 0.64 | 1.12 | 0.74 |
| cholesterol | ME446305 | 1.00 | 0.98 | 0.98 | 1.25 | 0.50 | 0.68 | 0.90 | 0.63 |
| oleate/vaccenate (18:1) | ME446666 | 0.81 | 1.02 | 1.01 | 1.26 | 0.66 | 0.73 | 0.85 | 0.65 |
| arachidoyl ethanolamide (20:0)* | ME446245 | 0.86 | 1.10 | 0.93 | 1.24 | 0.79 | 0.62 | 0.88 | 0.56 |
| glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) | ME446440 | 0.90 | 1.01 | 1.02 | 1.25 | 0.76 | 0.69 | 0.89 | 0.56 |
| lignoceroylcarnitine (C24)* | ME446512 | 1.08 | 1.09 | 0.89 | 1.04 | 1.02 | 0.74 | 0.90 | 0.80 |
| behenoyl ethanolamide (22:0)* | ME446256 | 1.05 | 1.03 | 0.93 | 1.23 | 0.90 | 0.47 | 0.87 | 0.60 |
| lignoceroyl ethanolamide (24:0)* | ME446511 | 1.10 | 1.02 | 0.91 | 1.15 | 0.85 | 0.57 | 0.97 | 0.72 |
| 4-methyl-2-oxopentanoate | ME446165 | 0.73 | 0.90 | 1.15 | 1.45 | 0.44 | 0.81 | 1.01 | 0.76 |
| alpha-ketoglutarate | ME446225 | 1.02 | 0.76 | 1.19 | 1.23 | 0.48 | 0.92 | 1.18 | 0.76 |
| N-methylleucine | ME446641 | 0.97 | 0.74 | 1.17 | 1.31 | 0.35 | 0.75 | 1.09 | 0.86 |
| ferulate | ME446383 | 0.66 | 0.94 | 0.94 | 1.34 | 0.45 | 0.85 | 1.05 | 1.19 |
| N-acetylhistamine | ME446596 | 0.96 | 0.99 | 0.95 | 1.09 | 0.35 | 0.98 | 1.28 | 1.07 |
| N-palmitoylglycine | ME446650 | 0.92 | 1.00 | 0.94 | 1.19 | 0.77 | 1.19 | 1.20 | 0.45 |
| oleoylcarnitine (C18:1) | ME446668 | 0.75 | 1.24 | 0.78 | 1.19 | 0.63 | 1.11 | 1.01 | 0.79 |
| stearoylcarnitine (C18) | ME446783 | 0.87 | 1.01 | 0.68 | 1.26 | 0.38 | 1.24 | 1.07 | 0.95 |
| glycerophosphoglycerol | ME446428 | 0.87 | 0.94 | 1.00 | 1.02 | 1.25 | 1.06 | 0.70 | 1.44 |
| N-acetylglutamine | ME446594 | 0.82 | 1.07 | 0.83 | 0.96 | 1.14 | 1.46 | 0.89 | 1.30 |
| N-acetylhistidine | ME446597 | 0.99 | 0.98 | 1.00 | 0.94 | 1.21 | 1.26 | 0.71 | 1.17 |
| aspartate | ME446251 | 0.84 | 0.94 | 1.16 | 0.92 | 1.01 | 1.32 | 0.92 | 1.31 |
| palmitoylcarnitine (C16) | ME446688 | 0.83 | 0.88 | 1.14 | 1.02 | 1.08 | 1.39 | 0.68 | 1.20 |
| levulinate (4-oxovalerate) | ME446510 | 0.84 | 0.93 | 0.98 | 1.01 | 0.85 | 1.39 | 1.29 | 1.33 |
| riboflavin (Vitamin B2) | ME446750 | 1.00 | 1.08 | 0.82 | 0.90 | 0.90 | 1.25 | 1.03 | 1.31 |
| nicotinate | ME446634 | 1.03 | 0.95 | 0.87 | 0.99 | 1.14 | 1.22 | 1.08 | 1.18 |
| pantothenate | ME446695 | 1.05 | 0.99 | 0.86 | 0.94 | 1.06 | 1.14 | 1.15 | 1.32 |
| N6-methyladenosine | ME446578 | 0.59 | 1.09 | 0.87 | 1.02 | 1.13 | 1.29 | 1.34 | 1.15 |
| pyridoxamine | ME446738 | 0.91 | 1.04 | 0.82 | 0.92 | 1.40 | 1.42 | 1.15 | 1.11 |
| 10-hydroxystearate | ME446003 | 0.68 | 1.03 | 0.86 | 1.30 | 1.03 | 0.81 | 1.17 | 0.78 |
| benzoate | ME446258 | 0.76 | 0.97 | 0.79 | 1.22 | 1.07 | 1.05 | 0.91 | 1.04 |
| N-acetylmuramate | ME446602 | 0.92 | 1.04 | 1.03 | 1.00 | 1.40 | 0.82 | 0.94 | 0.95 |
| N-alpha-acetylornithine | ME446615 | 0.80 | 1.17 | 1.12 | 1.01 | 1.12 | 0.73 | 0.73 | 0.72 |
| cis-urocanate | ME446311 | 0.84 | 0.97 | 1.33 | 0.92 | 1.06 | 1.13 | 1.09 | 0.88 |
| 5-oxoproline | ME446197 | 0.79 | 1.06 | 1.37 | 0.92 | 1.04 | 0.76 | 1.11 | 0.88 |
| N-acetylglycine | ME446595 | 0.89 | 1.05 | 1.34 | 0.94 | 0.85 | 0.65 | 1.14 | 0.74 |
| fucose | ME446391 | 0.93 | 0.83 | 1.02 | 1.13 | 1.13 | 0.90 | 1.09 | 1.30 |
| N-acetylglucosamine/N-acetylgalactosamine | ME446591 | 0.86 | 0.84 | 1.25 | 1.11 | 1.06 | 0.79 | 1.02 | 1.11 |
| N-acetylasparagine | ME446583 | 0.92 | 0.97 | 1.16 | 0.95 | 0.97 | 1.02 | 1.23 | 1.06 |
| N-methylalanine | ME446637 | 0.99 | 1.05 | 1.02 | 0.99 | 0.92 | 0.90 | 1.22 | 0.85 |
| pseudouridine | ME446734 | 0.95 | 1.05 | 1.12 | 0.96 | 0.90 | 0.83 | 1.13 | 0.94 |
| 6-oxopiperidine-2-carboxylate | ME446200 | 0.99 | 1.13 | 1.00 | 0.84 | 1.14 | 0.88 | 1.15 | 1.07 |
| 2^-O-methyluridine | ME446094 | 0.76 | 1.13 | 0.93 | 0.97 | 1.02 | 0.94 | 1.15 | 1.11 |
| xanthine | ME446853 | 0.72 | 1.14 | 1.00 | 0.99 | 1.03 | 0.94 | 1.17 | 1.08 |
| hypoxanthine | ME446474 | 0.88 | 1.09 | 1.02 | 0.96 | 1.04 | 0.97 | 0.90 | 1.09 |
| N-acetylalanine | ME446581 | 0.79 | 1.11 | 1.06 | 0.99 | 0.86 | 0.85 | 1.01 | 1.16 |
| glycerophosphoinositol* | ME446429 | 0.95 | 0.53 | 1.00 | 1.42 | 1.17 | 0.97 | 1.14 | 1.22 |
| acisoga | ME446212 | 1.30 | 0.74 | 1.10 | 0.98 | 1.01 | 1.07 | 1.30 | 0.99 |
| mevalonolactone | ME446559 | 1.40 | 0.68 | 1.30 | 0.87 | 0.92 | 1.08 | 1.26 | 0.97 |
| cysteine | ME446318 | 0.99 | 0.78 | 1.50 | 0.82 | 0.38 | 1.22 | 0.74 | 1.82 |
| D-urobilin | ME446364 | 1.13 | 0.94 | 0.91 | 0.84 | 0.57 | 1.40 | 0.49 | 1.91 |
| malate | ME446534 | 1.07 | 0.86 | 0.99 | 0.94 | 0.35 | 1.36 | 0.81 | 1.82 |
| cytosine | ME446325 | 1.20 | 0.70 | 0.99 | 0.94 | 0.83 | 1.57 | 0.58 | 1.81 |
| gentisate | ME446413 | 1.36 | 0.77 | 1.17 | 0.60 | 0.87 | 1.51 | 0.78 | 1.82 |
| methyl glucopyranoside (alpha + beta) | ME446551 | 0.93 | 0.83 | 1.22 | 1.21 | 0.80 | 0.99 | 0.69 | 0.85 |
| nicotinamide riboside | ME446633 | 0.89 | 0.99 | 1.00 | 1.08 | 0.85 | 1.12 | 0.53 | 1.17 |
| glutamate | ME446418 | 0.92 | 0.96 | 1.11 | 0.97 | 0.54 | 1.31 | 0.75 | 1.29 |
| malonylcarnitine | ME446537 | 1.10 | 1.02 | 1.21 | 0.83 | 0.41 | 1.12 | 0.71 | 1.25 |
| pyridoxal | ME446737 | 1.16 | 0.93 | 1.02 | 0.87 | 0.69 | 1.23 | 0.65 | 1.56 |
| succinimide | ME446788 | 0.98 | 1.02 | 1.01 | 0.91 | 0.86 | 1.03 | 0.85 | 1.48 |
| bilirubin (E,Z or Z,E)* | ME446270 | 0.77 | 0.82 | 1.39 | 0.87 | 0.78 | 1.35 | 0.29 | 1.42 |
| beta-hydroxyisovalerate | ME446264 | 1.22 | 0.90 | 1.22 | 0.72 | 0.65 | 1.61 | 0.64 | 1.33 |
| deoxycarnitine | ME446331 | 1.16 | 0.77 | 1.19 | 0.90 | 1.07 | 1.56 | 0.63 | 1.15 |
| histamine | ME446464 | 1.19 | 0.90 | 1.26 | 1.01 | 0.23 | 1.02 | 1.16 | 0.60 |
| 3-(3-hydroxyphenyl)propionate | ME446101 | 1.38 | 1.03 | 0.85 | 0.89 | 0.04 | 1.26 | 0.96 | 0.73 |
| 3-hydroxysebacate | ME446131 | 1.35 | 1.00 | 0.96 | 1.01 | 0.10 | 0.96 | 0.80 | 0.57 |
| nervonoylcarnitine (C24:1)* | ME446626 | 1.19 | 0.94 | 1.27 | 1.01 | 0.17 | 1.31 | 0.52 | 0.68 |
| erucoylcarnitine (C22:1)* | ME446376 | 0.93 | 0.99 | 1.07 | 1.01 | 0.17 | 1.45 | 0.97 | 0.74 |
| 3,7-dimethylurate | ME446110 | 1.17 | 1.00 | 0.82 | 1.04 | 0.07 | 1.37 | 0.78 | 0.79 |
| arachidoylcarnitine (C20)* | ME446246 | 1.07 | 1.02 | 0.94 | 1.05 | 0.20 | 1.48 | 0.72 | 0.76 |
| phenylacetate | ME446701 | 1.09 | 1.20 | 0.67 | 0.83 | 0.49 | 1.64 | 1.12 | 0.92 |
| trans-urocanate | ME446816 | 1.01 | 1.11 | 0.81 | 0.90 | 0.71 | 1.38 | 1.14 | 1.09 |
| 4-imidazoleacetate | ME446164 | 1.20 | 1.03 | 0.67 | 0.94 | 0.40 | 1.58 | 0.56 | 1.31 |
| 5alpha-androstan-3beta,17beta-diol disulfate | ME446180 | 1.31 | 1.16 | 0.68 | 0.83 | 0.67 | 1.27 | 0.78 | 1.17 |
| N-carbamoylaspartate | ME446620 | 1.29 | 0.87 | 0.94 | 0.95 | 0.09 | 1.35 | 1.35 | 1.04 |
| cysteine s-sulfate | ME446319 | 0.90 | 0.93 | 1.14 | 0.89 | 0.44 | 1.34 | 1.31 | 1.48 |
| pyruvate | ME446743 | 1.09 | 0.81 | 1.40 | 0.89 | 0.29 | 1.47 | 0.92 | 1.05 |
| tetrahydrocortisone | ME446802 | 1.31 | 0.71 | 1.15 | 0.90 | 0.45 | 1.38 | 0.96 | 1.32 |
| allo-threonine | ME446221 | 1.88 | 0.96 | 0.69 | 0.98 | 0.92 | 0.41 | 0.57 | 1.28 |
| adenine | ME446213 | 2.11 | 0.79 | 0.68 | 0.82 | 1.14 | 1.19 | 0.67 | 0.68 |
| methylmalonate (MMA) | ME446553 | 2.00 | 0.82 | 0.91 | 0.83 | 0.11 | 1.32 | 0.66 | 0.93 |
| picolinate | ME446717 | 1.57 | 0.85 | 0.92 | 0.83 | NA | 1.41 | 0.70 | 1.14 |
| N2-acetyllysine | ME446572 | 1.73 | 0.82 | 0.67 | 0.80 | 0.86 | 1.66 | 0.62 | 1.28 |
| beta-alanine | ME446261 | 1.83 | 1.04 | 0.64 | 0.76 | 0.66 | 0.99 | 0.67 | 1.04 |
| 3-(2-hydroxyphenyl)propionate | ME446100 | 1.71 | 1.11 | 0.52 | 0.88 | 0.69 | 1.49 | 0.86 | 0.69 |
| sulfate* | ME446792 | 1.54 | 1.04 | 0.83 | 0.91 | 0.41 | 1.29 | 0.44 | 0.72 |
| 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | ME446114 | 0.56 | 1.69 | 0.30 | 0.88 | 1.07 | 0.48 | NA | 1.35 |
| lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* | ME446499 | 0.68 | 1.37 | 0.38 | 1.04 | 0.90 | 1.20 | 0.45 | 1.39 |
| N6-carboxyethyllysine | ME446575 | 0.65 | 1.44 | 0.64 | 1.09 | 1.38 | 0.98 | 0.57 | 1.17 |
| bilirubin (E,E)* | ME446269 | 0.86 | 1.03 | 0.66 | 1.12 | 0.85 | 1.76 | NA | 0.82 |
| heme | ME446452 | 1.20 | 1.01 | 0.66 | 1.08 | 0.19 | 1.63 | 0.15 | 0.98 |
| pregnen-diol disulfate C21H34O8S2* | ME446725 | 0.83 | 1.54 | 0.58 | 0.91 | 0.46 | 1.51 | 0.50 | 0.80 |
| pregn steroid monosulfate C21H34O5S* | ME446723 | 0.57 | 1.34 | 0.40 | 1.24 | 0.49 | 2.22 | 0.52 | 0.93 |
| androstenediol (3beta,17beta) monosulfate (1) | ME446234 | 0.54 | 1.50 | 0.27 | 1.42 | 0.11 | 1.92 | 0.18 | 1.17 |
| pregnenolone sulfate | ME446726 | 0.67 | 1.61 | 0.35 | 1.30 | 0.18 | 1.63 | 0.44 | 0.93 |
| 5alpha-androstan-3alpha,17alpha-diol monosulfate | ME446174 | 0.59 | 0.88 | 0.38 | 1.33 | 0.52 | 1.69 | 0.59 | 1.39 |
| 5alpha-androstan-3beta,17beta-diol monosulfate (2) | ME446182 | 0.57 | 0.94 | 0.41 | 1.28 | 0.72 | 1.73 | 0.48 | 1.04 |
| 5alpha-androstan-3alpha,17alpha-diol disulfate | ME446173 | 0.68 | 1.10 | 0.48 | 1.11 | 0.71 | 1.69 | 0.90 | 0.98 |
| androsterone sulfate | ME446236 | 0.98 | 1.06 | 0.30 | 1.29 | 0.85 | 1.68 | 0.93 | 1.08 |
| androstenediol (3beta,17beta) disulfate (2) | ME446233 | 0.78 | 0.99 | 0.46 | 1.13 | 0.45 | 1.79 | 0.58 | 1.87 |
| sphinganine | ME446777 | 0.63 | 1.08 | 0.50 | 1.18 | 0.48 | 1.63 | 0.60 | 1.87 |
| carboxyethyl-GABA | ME446286 | 0.72 | 0.99 | 0.76 | 1.18 | 0.68 | 1.41 | 0.71 | 1.41 |
| hexadecasphinganine (d16:0)* | ME446459 | 0.60 | 1.10 | 0.60 | 1.16 | 0.53 | 1.67 | 0.72 | 1.54 |
| dehydroisoandrosterone sulfate (DHEA-S) | ME446328 | 0.76 | 1.21 | 0.38 | 0.96 | 0.73 | 1.82 | 0.93 | 1.94 |
| sphingosine | ME446778 | 0.47 | 1.06 | 0.57 | 1.09 | 0.44 | 1.83 | 1.02 | 2.17 |
| hexadecasphingosine (d16:1)* | ME446460 | 0.33 | 0.79 | 1.07 | 1.30 | 0.43 | 1.55 | 0.76 | 1.40 |
| phytosphingosine | ME446716 | 0.81 | 0.79 | 1.01 | 1.03 | 0.65 | 2.04 | 1.11 | 1.30 |
| 7-methylguanine | ME446204 | 0.73 | 0.92 | 1.02 | 0.93 | 0.46 | 1.92 | 0.82 | 1.66 |
| sphingadienine | ME446776 | 0.50 | 0.86 | 0.90 | 1.19 | 0.17 | 2.01 | 0.68 | 1.62 |
| 3-hydroxyhexanoate | ME446122 | 0.73 | 1.24 | 0.49 | 0.83 | NA | 1.43 | 1.02 | 2.20 |
| orotidine | ME446677 | 0.70 | 0.79 | 0.46 | 1.53 | 0.12 | 1.56 | 0.45 | 1.93 |
| 3-ketosphinganine | ME446135 | 0.47 | 1.06 | 0.48 | 1.22 | 0.30 | 1.45 | 0.17 | 2.56 |
| heptadecasphingosine (d17:1) | ME446453 | 0.37 | 1.12 | 0.42 | 1.40 | 0.29 | 1.23 | 0.33 | 2.07 |
| ribose | ME446752 | 0.54 | 1.09 | 0.70 | 1.20 | 1.05 | 1.46 | 0.58 | 2.24 |
| 3-ureidopropionate | ME446146 | 1.16 | 1.15 | 0.59 | 0.89 | 0.60 | 1.14 | 0.10 | 2.04 |
| eicosanoylsphingosine (d20:1)* | ME446366 | 0.80 | 0.99 | 0.87 | 0.94 | 0.55 | 1.40 | 0.25 | 2.25 |
| pantetheine | ME446694 | 0.78 | 0.84 | 0.75 | 1.02 | 0.39 | 1.59 | 0.30 | 1.97 |
| harmane | ME446451 | 2.26 | 1.12 | 0.88 | 0.60 | NA | 0.91 | 1.55 | 0.75 |
| N-methyltryptophan | ME446646 | 2.17 | 0.89 | 0.40 | 0.79 | NA | NA | 1.24 | 0.54 |
| 3-hydroxy-2-ethylpropionate | ME446117 | 1.61 | 1.56 | NA | 0.79 | 0.87 | NA | 0.96 | 0.67 |
| pheophorbide A | ME446710 | 1.29 | 1.77 | 0.24 | 0.64 | 0.08 | 0.58 | 1.28 | 0.90 |
| 1-methylhistamine | ME446023 | 1.36 | 0.62 | 1.18 | NA | NA | NA | 0.50 | NA |
| phenylacetylglutamate | ME446702 | 2.14 | 0.82 | 1.58 | 0.70 | NA | NA | 0.94 | NA |
| 1-oleoyl-GPI (18:1)* | ME446033 | 1.83 | 0.41 | 0.83 | 1.01 | NA | 0.58 | NA | 0.44 |
| saccharopine | ME446757 | 2.22 | 0.50 | 1.22 | 0.93 | 0.22 | 0.35 | 0.15 | 0.76 |
| digalacturonic acid | ME446342 | 2.23 | 0.77 | 0.97 | 0.68 | NA | 0.50 | 0.09 | 1.10 |
| ethylmalonate | ME446380 | 1.82 | 0.80 | 1.16 | 0.83 | 0.05 | 0.81 | 0.25 | 1.03 |
| 1-methylnicotinamide | ME446025 | 1.91 | 0.69 | 1.53 | 0.78 | 0.52 | 0.77 | 0.30 | 0.49 |
| mannose | ME446544 | 1.69 | 0.82 | 1.28 | 0.96 | 0.62 | 0.70 | 0.96 | 0.62 |
| deoxymugineic acid | ME446334 | 1.67 | 1.26 | 1.21 | 0.71 | 0.63 | 0.48 | 0.51 | 0.48 |
| tyramine O-sulfate | ME446828 | 1.86 | 1.20 | 0.79 | 0.79 | 0.70 | 0.20 | 0.56 | 0.16 |
| dodecanedioate (C12-DC) | ME446361 | 2.26 | 1.11 | 0.82 | 0.58 | 0.24 | 0.67 | 0.34 | 0.74 |
| N-carbamoylsarcosine | ME446622 | 2.25 | 1.17 | 0.55 | 0.90 | 0.46 | 0.41 | 0.57 | 0.47 |
| 5alpha-pregnan-3beta,20alpha-diol disulfate | ME446184 | 1.42 | 1.62 | 1.25 | 0.62 | 0.09 | 0.31 | 0.10 | 0.22 |
| 5alpha-pregnan-3beta,20alpha-diol monosulfate (1) | ME446185 | 1.87 | 1.12 | 1.14 | 0.53 | NA | 0.18 | NA | 0.29 |
| escitalopram | ME446379 | 1.51 | 0.56 | 1.15 | 0.78 | NA | NA | NA | NA |
| nicotinic acid mononucleotide (NaMN) | ME446636 | 1.89 | 0.54 | 1.47 | 1.54 | 0.11 | 0.06 | NA | 0.11 |
| tiglylcarnitine (C5:1-DC) | ME446813 | 1.57 | 0.35 | 2.27 | 0.46 | NA | 0.10 | NA | 0.47 |
| 1,3,7-trimethylurate | ME445999 | 2.41 | 0.63 | 1.90 | 0.71 | 0.01 | 0.15 | 0.19 | 0.16 |
| skatol | ME446771 | 2.33 | 0.37 | 2.53 | 0.47 | NA | NA | NA | NA |
| caprylate (8:0) | ME446284 | 2.40 | 0.47 | 2.28 | 0.33 | NA | 0.78 | 0.58 | 0.25 |
| 3-methylurate* | ME446142 | 1.70 | 0.54 | 2.03 | 0.68 | NA | 1.10 | 0.48 | 0.30 |
| theobromine | ME446804 | 1.91 | 0.72 | 2.01 | 0.57 | 0.10 | 1.20 | 1.10 | 0.44 |
| N-glycolylneuraminate | ME446630 | 2.81 | 0.60 | 1.43 | 0.26 | 0.20 | 0.78 | 0.31 | 0.99 |
| N-methyltaurine | ME446645 | 2.63 | 1.11 | 1.72 | 0.49 | NA | 0.83 | NA | 0.77 |
| 4-hydroxyphenylacetate | ME446162 | 2.66 | 0.88 | 1.14 | 0.51 | 0.63 | 1.11 | 0.61 | 0.49 |
| indoleacetate | ME446481 | 2.47 | 0.61 | 1.61 | 0.50 | 0.43 | 0.59 | 0.79 | 0.61 |
| glycerophosphoserine* | ME446431 | 0.71 | 0.56 | 1.15 | 0.71 | 2.45 | 1.31 | 1.46 | 2.43 |
| tryptophan | ME446824 | 0.88 | 0.78 | 1.20 | 0.73 | 1.80 | 1.42 | 1.22 | 2.05 |
| erythronate* | ME446377 | 0.80 | 0.76 | 1.62 | 0.70 | 1.51 | 0.82 | 1.67 | 1.98 |
| myo-inositol | ME446561 | 1.03 | 0.65 | 1.53 | 0.62 | 1.74 | 0.70 | 0.91 | 2.40 |
| ribitol | ME446749 | 0.57 | 0.83 | 1.31 | 0.88 | 1.63 | 0.50 | 0.83 | 2.39 |
| glycerophosphorylcholine (GPC) | ME446430 | 1.56 | 0.64 | 1.28 | 0.77 | 1.71 | 0.44 | 0.86 | 1.96 |
| N6,N6,N6-trimethyllysine | ME446573 | 2.21 | 0.41 | 1.35 | 0.57 | 1.69 | 0.50 | 1.11 | 1.76 |
| lysylleucine | ME446533 | 1.50 | 0.59 | 0.51 | 1.24 | 1.95 | 0.66 | NA | 2.19 |
| 3-hydroxybutyrate (BHBA) | ME446119 | 0.99 | 0.54 | 0.42 | 1.48 | 2.39 | 1.09 | 1.08 | 1.76 |
| 2,4,6-trihydroxybenzoate | ME446059 | 1.57 | 0.87 | 0.85 | 0.77 | 2.48 | 0.84 | 0.82 | 1.50 |
| glycerophosphoethanolamine | ME446427 | 1.09 | 0.63 | 1.12 | 1.04 | 1.90 | 1.12 | 0.69 | 1.59 |
| imidazole propionate | ME446477 | 1.97 | 0.61 | 0.70 | 0.53 | 0.74 | 1.16 | 1.48 | 2.96 |
| diaminopimelate | ME446340 | 0.80 | 0.94 | 0.74 | 0.71 | 0.60 | 1.40 | 1.40 | 2.97 |
| proline | ME446728 | 0.76 | 0.86 | 0.95 | 0.75 | 1.15 | 1.26 | 1.64 | 2.79 |
| ectoine | ME446365 | 1.27 | 0.68 | 0.50 | 1.23 | 0.80 | 0.60 | 1.66 | 2.22 |
| N(^1)-acetylspermidine | ME446565 | 1.75 | 0.58 | 0.98 | 0.89 | 0.79 | 0.71 | 1.72 | 1.60 |
| N-acetylproline | ME446605 | 1.53 | 0.88 | 0.72 | 0.70 | 0.64 | 1.10 | 1.89 | 1.93 |
| gamma-glutamylmethionine | ME446407 | 1.55 | 0.65 | 0.78 | 0.72 | 1.22 | 1.19 | 0.92 | 2.29 |
| malonate | ME446536 | 1.39 | 0.91 | 0.85 | 0.86 | 1.26 | 1.20 | 0.45 | 1.42 |
| cysteinylglycine | ME446321 | 1.29 | 0.64 | 0.85 | 0.75 | 1.41 | 1.34 | 0.35 | 1.95 |
| trimethylamine N-oxide | ME446822 | 1.31 | 1.02 | 0.64 | 0.65 | 1.38 | 1.52 | 0.41 | 1.99 |
| 3-hydroxy-3-methylglutarate | ME446118 | 0.96 | 0.37 | 0.90 | 1.51 | 0.69 | 0.76 | 0.84 | 2.38 |
| ribulose/xylulose | ME446753 | 1.15 | 0.65 | 1.08 | 1.20 | 0.52 | 0.56 | 0.24 | 2.32 |
| arabinose | ME446240 | 1.15 | 0.54 | 1.20 | 1.27 | 0.93 | 0.48 | 0.75 | 1.78 |
| propionylglycine | ME446731 | 0.94 | 0.71 | 0.97 | 0.99 | 0.96 | 0.91 | 1.24 | 1.86 |
| trans-4-hydroxyproline | ME446472 | 1.13 | 0.62 | 1.01 | 1.08 | 0.72 | 1.15 | 1.24 | 1.88 |
| N-monomethylarginine | ME446647 | 0.66 | 0.58 | 0.84 | 0.93 | 2.34 | 2.19 | 1.07 | 1.25 |
| 1-oleoyl-GPG (18:1)* | ME446032 | 0.45 | 0.31 | 1.51 | 1.15 | 1.17 | 1.68 | 1.92 | 0.38 |
| dihomo-linolenate (20:3n3 or n6) | ME446345 | 0.74 | 1.40 | 0.52 | 1.02 | 1.07 | 1.43 | 1.38 | 0.43 |
| tyrosylglycine | ME446831 | 0.62 | 1.02 | 0.58 | 1.07 | 1.70 | 2.05 | 1.58 | 0.48 |
| 5alpha-androstan-3alpha,17beta-diol disulfate | ME446175 | 2.23 | 0.69 | 0.92 | 0.64 | 1.17 | 1.89 | 1.46 | 0.81 |
| 4-guanidinobutanoate | ME446154 | 1.43 | 0.58 | 1.10 | 0.85 | 1.50 | 1.54 | 1.73 | 1.08 |
| N-acetyltyrosine | ME446613 | 1.39 | 1.06 | 0.84 | 0.62 | 1.20 | 1.77 | 1.41 | 0.82 |
| serine | ME446766 | 0.82 | 0.91 | 1.28 | 0.84 | 1.25 | 1.28 | 1.54 | 1.25 |
| threonine | ME446809 | 0.81 | 0.91 | 1.43 | 0.78 | 1.03 | 1.14 | 1.44 | 1.39 |
| glycerate | ME446424 | 0.84 | 0.75 | 1.39 | 0.89 | 1.08 | 1.28 | 1.82 | 1.29 |
| glycine | ME446432 | 0.70 | 0.80 | 1.47 | 0.89 | 1.38 | 1.13 | 1.70 | 1.29 |
| thymidine | ME446811 | 0.87 | 1.04 | 1.18 | 0.68 | 1.08 | 1.44 | 1.15 | 1.58 |
| cysteine sulfinic acid | ME446320 | 1.01 | 0.81 | 1.10 | 0.83 | 1.19 | 1.23 | 1.42 | 1.54 |
| isoleucine | ME446489 | 0.87 | 1.01 | 0.94 | 0.86 | 1.39 | 1.23 | 1.44 | 1.37 |
| 2^-deoxyinosine | ME446074 | 0.82 | 0.87 | 1.35 | 0.64 | 0.86 | 1.93 | 1.47 | 1.69 |
| 2-methylserine | ME446092 | 0.56 | 0.80 | 1.53 | 0.73 | 0.99 | 1.52 | 1.56 | 1.68 |
| 2^-deoxyuridine | ME446075 | 0.63 | 1.07 | 1.09 | 0.66 | 1.24 | 1.67 | 1.89 | 1.69 |
| 3-hydroxylaurate | ME446125 | 0.86 | 0.73 | 1.22 | 0.76 | 1.24 | 1.76 | 2.00 | 1.71 |
| 5-methylthioadenosine (MTA) | ME446195 | 0.89 | 0.67 | 0.97 | 0.89 | 1.27 | 1.68 | 1.27 | 1.49 |
| 3-hydroxydecanoate | ME446121 | 0.86 | 0.81 | 1.00 | 0.89 | 1.21 | 1.66 | 1.70 | 1.38 |
| glycylvaline | ME446445 | 0.79 | 0.98 | 0.75 | 0.92 | 0.98 | 1.76 | 1.67 | 1.48 |
| dimethylarginine (SDMA + ADMA) | ME446351 | 0.90 | 0.63 | 1.05 | 0.84 | 2.10 | 1.28 | 1.78 | 2.05 |
| valine | ME446844 | 0.71 | 1.03 | 0.93 | 0.72 | 2.11 | 1.11 | 2.06 | 1.87 |
| alanine | ME446218 | 0.78 | 0.94 | 0.94 | 0.81 | 1.91 | 1.26 | 1.85 | 1.67 |
| phenylalanine | ME446705 | 0.76 | 0.94 | 0.99 | 0.83 | 1.84 | 1.30 | 1.87 | 1.49 |
| glutamine | ME446420 | 0.81 | 0.86 | 1.17 | 0.79 | 1.72 | 1.33 | 2.27 | 1.31 |
| choline | ME446306 | 0.99 | 0.69 | 1.04 | 0.97 | 2.30 | 1.16 | 2.22 | 1.05 |
| dihomo-linolenoylcarnitine (20:3n3 or 6)* | ME446346 | 0.78 | 1.02 | 0.82 | 0.94 | 2.17 | 1.17 | 2.38 | 1.49 |
| 1-palmitoyl-GPE (16:0) | ME446044 | 0.81 | 0.92 | 0.80 | 1.10 | 1.75 | 1.22 | 1.47 | 1.02 |
| glycylleucine | ME446444 | 0.92 | 0.88 | 0.63 | 1.10 | 1.58 | 1.36 | 1.74 | 1.22 |
| leucine | ME446506 | 0.81 | 1.02 | 0.90 | 0.82 | 1.72 | 1.34 | 1.62 | 1.41 |
| citrulline | ME446313 | 0.75 | 1.07 | 0.74 | 0.94 | 1.48 | 1.39 | 1.62 | 1.31 |
| methionine | ME446548 | 0.80 | 0.99 | 0.87 | 0.85 | 1.51 | 1.49 | 1.82 | 1.41 |
| ceramide (d16:1/24:1, d18:1/22:1)* | ME446294 | 0.76 | 0.75 | 0.57 | 1.12 | 1.50 | 1.20 | 1.76 | 1.80 |
| tyrosine | ME446829 | 0.74 | 0.96 | 1.01 | 0.85 | 1.74 | 1.32 | 1.35 | 1.63 |
| vanillate | ME446851 | 0.61 | 0.87 | 0.78 | 0.98 | 1.64 | 1.11 | 1.25 | 1.77 |
| butyrylglutamine/isobutyrylglutamine | ME446275 | 0.89 | 0.90 | 0.61 | 1.01 | 1.39 | 1.34 | 1.29 | 1.80 |
| lysine | ME446532 | 0.83 | 0.92 | 0.86 | 0.80 | 1.61 | 1.53 | 1.51 | 1.93 |
| gamma-glutamyl-alpha-lysine | ME446399 | 0.72 | 0.82 | 0.74 | 1.03 | 2.37 | 1.46 | 1.40 | 1.68 |
| glutaminylleucine | ME446421 | 0.80 | 0.97 | 0.66 | 1.05 | 1.98 | 1.55 | 1.07 | 1.19 |
| threonylphenylalanine | ME446810 | 0.85 | 0.96 | 0.43 | 1.01 | 1.77 | 1.68 | 2.37 | 1.19 |
| isovalerate (i5:0) | ME446492 | 1.19 | 1.11 | 0.65 | 0.62 | 1.05 | 2.05 | 1.98 | 1.03 |
| phenylalanylglycine | ME446707 | 0.74 | 0.97 | 0.64 | 1.02 | 1.23 | 2.03 | 1.89 | 0.96 |
| valylglycine | ME446848 | 0.70 | 1.05 | 0.57 | 1.02 | 1.22 | 1.84 | 2.30 | 0.90 |
| gamma-glutamylleucine | ME446406 | 0.88 | 0.95 | 0.87 | 0.89 | 1.27 | 1.49 | 2.86 | 1.33 |
| N-behenoyl-sphingadienine (d18:2/22:0)* | ME446618 | 1.05 | 0.66 | 1.02 | 0.99 | 1.24 | 0.85 | 2.74 | 1.32 |
| N-formylphenylalanine | ME446629 | 0.87 | 1.03 | 0.92 | 0.88 | 1.37 | 0.87 | 2.67 | 1.04 |
| valerylglycine | ME446842 | 0.82 | 1.06 | 0.88 | 0.86 | 1.26 | 0.89 | 3.03 | 1.04 |
| 5-methyluridine (ribothymidine) | ME446196 | 0.68 | 1.13 | 1.19 | 0.75 | 0.90 | 1.19 | 2.06 | 0.93 |
| 4-ureidobutyrate | ME446169 | 0.81 | 1.22 | 0.83 | 0.85 | 0.77 | 1.02 | 2.44 | 0.96 |
| lithocholate | ME446528 | 0.66 | 1.17 | 0.80 | 1.00 | 1.39 | 0.80 | 2.31 | 0.87 |
| isobutyrylglycine | ME446487 | 0.92 | 1.05 | 0.83 | 0.94 | 1.11 | 0.88 | 2.33 | 0.95 |
| vanillin | ME446852 | 0.81 | 0.94 | 1.09 | 0.86 | 1.12 | 0.88 | 2.35 | 0.69 |
| glycylisoleucine | ME446443 | 0.90 | 0.98 | 0.72 | 1.05 | 1.07 | 1.31 | 1.75 | 1.08 |
| N-acetyl-beta-glucosaminylamine | ME446586 | 0.76 | 1.09 | 0.72 | 0.99 | 0.96 | 1.49 | 1.73 | 1.08 |
| 2-acetamidobutanoate | ME446065 | 0.97 | 1.06 | 0.74 | 0.88 | 1.06 | 1.18 | 1.65 | 1.40 |
| valerate (5:0) | ME446841 | 1.06 | 1.02 | 0.77 | 0.81 | 1.09 | 1.44 | 1.64 | 1.36 |
| isovalerylglycine | ME446493 | 0.97 | 1.08 | 0.95 | 0.96 | 0.99 | 0.75 | 1.73 | 0.89 |
| indole-3-carboxylic acid | ME446480 | 0.97 | 1.09 | 1.02 | 0.89 | 0.76 | 0.99 | 1.81 | 1.11 |
| S-1-pyrroline-5-carboxylate | ME446755 | 1.02 | 0.98 | 0.85 | 0.86 | 0.80 | 1.17 | 1.70 | 1.28 |
| 3-phenylpropionate (hydrocinnamate) | ME446144 | 0.84 | 1.02 | 0.69 | 0.96 | 1.18 | 1.15 | 2.17 | 1.56 |
| methionine sulfoxide | ME446550 | 0.82 | 1.09 | 0.65 | 1.00 | 1.14 | 1.07 | 1.99 | 1.32 |
| N-palmitoyl-sphingosine (d18:1/16:0) | ME446653 | 0.78 | 0.98 | 0.67 | 1.12 | 1.09 | 0.93 | 2.36 | 1.31 |
| tryptophylglycine | ME446826 | 0.73 | 1.03 | 0.63 | 1.09 | 1.08 | 1.08 | 2.24 | 1.04 |
| isoleucylglycine | ME446490 | 0.73 | 1.08 | 0.60 | 1.00 | 1.01 | 1.46 | 2.44 | 1.12 |
| valylleucine | ME446849 | 0.85 | 0.87 | 0.57 | 1.09 | 0.90 | 1.62 | 2.07 | 1.44 |
| N-methylphenylalanine | ME446642 | 0.45 | 1.19 | 1.21 | 1.02 | 1.33 | 0.27 | 2.24 | 0.41 |
| 3beta-hydroxy-5-cholestenoate | ME446112 | 0.40 | 1.44 | 0.36 | 1.48 | 1.75 | 0.52 | 1.86 | 0.26 |
| histidylalanine | ME446466 | 0.60 | 1.14 | 0.57 | 1.16 | 1.80 | 1.01 | 2.09 | 0.32 |
| N-acetylmethionine | ME446600 | 1.30 | 0.87 | 0.75 | 0.74 | 2.30 | 0.96 | 1.67 | 1.70 |
| N-acetyltryptophan | ME446612 | 1.33 | 0.78 | 0.79 | 0.79 | 2.52 | 1.37 | 1.85 | 1.08 |
| N-carbamoylalanine | ME446619 | 1.15 | 1.07 | 0.73 | 1.00 | 2.20 | 0.81 | 2.53 | 0.39 |
| leucylglutamine* | ME446508 | 0.66 | 0.89 | 0.64 | 1.14 | 2.79 | 1.30 | 1.87 | 0.90 |
| N6-acetyllysine | ME446574 | 0.94 | 0.98 | 0.84 | 0.79 | 2.70 | 1.03 | 2.46 | 0.97 |
| deoxycholate | ME446332 | 0.67 | 1.06 | 0.78 | 1.00 | 2.66 | 1.07 | 2.69 | 1.23 |
| linolenoylcarnitine (C18:3)* | ME446516 | 0.73 | 0.94 | 0.92 | 1.01 | 2.43 | 1.15 | 2.84 | 1.11 |
| 4-hydroxybenzoate | ME446155 | 0.89 | 0.87 | 1.83 | 0.77 | 1.96 | 0.47 | 1.37 | 0.95 |
| gamma-glutamylglutamine | ME446402 | 0.59 | 0.51 | 1.60 | 0.77 | 2.33 | 0.94 | 1.20 | 1.29 |
| 1-palmitoyl-GPC (16:0) | ME446043 | 0.97 | 0.72 | 1.57 | 0.85 | 2.90 | 0.45 | 1.70 | 0.82 |
| mevalonate | ME446557 | 1.45 | 0.55 | 1.36 | 0.82 | 2.30 | 0.81 | 1.44 | 1.01 |
| PAHSA (16:0/OH-18:0) | ME446680 | 0.89 | 0.87 | 0.43 | 1.46 | 1.48 | 0.17 | 1.13 | 0.96 |
| gamma-CEHC | ME446397 | 1.36 | 0.75 | 0.88 | 0.89 | 1.58 | 0.81 | 1.85 | 1.23 |
| pyrraline | ME446742 | 0.83 | 0.86 | 1.24 | 0.99 | 1.90 | 0.75 | 1.84 | 0.85 |
| N-acetylarginine | ME446582 | 0.93 | 1.05 | 1.12 | 0.82 | 1.70 | 0.89 | 1.82 | 0.84 |
| uracil | ME446833 | 0.78 | 1.09 | 0.97 | 0.96 | 1.52 | 0.89 | 1.76 | 0.90 |
| 9,10-DiHOME | ME446209 | 0.69 | 1.03 | 0.48 | 1.27 | 1.63 | 1.00 | 1.08 | 0.89 |
| 12,13-DiHOME | ME446005 | 0.86 | 0.96 | 0.47 | 1.34 | 1.71 | 0.63 | 1.45 | 1.03 |
| alanylleucine | ME446219 | 1.07 | 0.94 | 0.55 | 1.20 | 2.05 | 0.62 | 1.21 | 1.08 |
| 8-hydroxyoctanoate | ME446208 | 0.87 | 0.94 | 0.93 | 1.06 | 2.04 | 0.72 | 0.88 | 1.11 |
| methylphosphate | ME446554 | 0.90 | 0.87 | 0.87 | 1.15 | 1.73 | 0.75 | 1.30 | 1.17 |
| palmitoyl dihydrosphingomyelin (d18:0/16:0)* | ME446685 | 0.91 | 0.73 | 1.03 | 1.23 | 1.84 | 0.84 | 1.36 | 0.81 |
| phenylpyruvate | ME446709 | 0.71 | 0.75 | 1.22 | 1.34 | 2.29 | 0.71 | 1.70 | 0.67 |
| 2-hydroxyphenylacetate | ME446086 | 0.82 | 1.02 | 0.89 | 0.99 | 2.26 | 0.60 | 1.48 | 0.72 |
| alpha-methylornithine | ME446226 | 0.71 | 1.16 | 0.75 | 0.98 | 2.32 | 0.76 | 1.52 | 0.90 |
| formiminoglutamate | ME446388 | 0.86 | 1.14 | 0.81 | 0.92 | 2.44 | 0.81 | 1.55 | 1.10 |
| erucate (22:1n9) | ME446375 | 0.49 | 1.02 | 0.37 | 1.44 | 0.39 | 2.41 | 1.80 | 0.25 |
| solanidine | ME446774 | 0.74 | 1.32 | 0.73 | 0.79 | 0.25 | 2.42 | 1.07 | 0.48 |
| chenodeoxycholate | ME446301 | 0.40 | NA | 0.20 | 0.70 | 1.02 | 2.23 | 1.62 | 1.99 |
| gamma-glutamyl-epsilon-lysine | ME446400 | 0.66 | 0.90 | 1.10 | 0.82 | 0.91 | 2.01 | 1.06 | 1.86 |
| N6-carboxymethyllysine | ME446576 | 1.06 | 0.88 | 0.91 | 0.66 | 1.01 | 2.10 | 1.16 | 1.94 |
| N-formylmethionine | ME446628 | 0.92 | 0.89 | 0.63 | 0.77 | 1.37 | 1.91 | 2.10 | 1.99 |
| taurine | ME446795 | 1.09 | 0.87 | 0.42 | 0.91 | 1.25 | 2.16 | 1.44 | 1.73 |
| guanosine | ME446449 | 0.75 | 0.76 | 1.07 | 0.45 | 0.52 | 3.49 | 2.14 | 1.70 |
| 2^-deoxyguanosine | ME446073 | 0.72 | 0.72 | 1.25 | 0.48 | 0.88 | 2.85 | 2.00 | 2.37 |
| uridine | ME446835 | 0.63 | 0.94 | 0.93 | 0.60 | 1.02 | 2.57 | 2.13 | 2.02 |
| adenosine | ME446214 | 0.76 | 0.89 | 0.99 | 0.63 | 1.01 | 3.08 | 1.70 | 1.32 |
| cytidine | ME446323 | 1.00 | 0.58 | 1.57 | 0.51 | 0.41 | 2.93 | 1.65 | 1.73 |
| 3-hydroxyisobutyrate | ME446124 | 0.84 | 0.73 | 0.98 | 0.55 | 0.59 | 2.75 | 1.33 | 1.77 |
| guanine | ME446448 | 0.84 | 0.79 | 1.20 | 0.71 | 0.78 | 2.39 | 1.81 | 1.48 |
| inosine | ME446486 | 0.92 | 0.83 | 1.21 | 0.59 | 0.71 | 2.38 | 1.87 | 1.63 |
| N-acetyl-cadaverine | ME446587 | 2.61 | 0.42 | 1.24 | 0.45 | 0.32 | 1.02 | 2.31 | 1.14 |
| 1-stearoyl-GPI (18:0) | ME446053 | 2.03 | 0.59 | 0.93 | 0.62 | 0.50 | 1.79 | 2.52 | 1.66 |
| 7-methylurate | ME446205 | 1.75 | 0.54 | 1.12 | 0.41 | NA | 1.58 | 1.98 | 1.78 |
| 3-methylxanthine | ME446143 | 1.65 | 0.66 | 1.63 | 0.69 | NA | 0.92 | 1.78 | 0.44 |
| caprate (10:0) | ME446282 | 1.43 | 0.59 | 1.82 | 0.59 | 0.36 | 1.42 | 1.88 | 0.99 |
| N1-methyladenosine | ME446020 | 1.13 | 0.61 | 1.66 | 0.73 | 0.12 | 1.28 | 1.99 | 1.06 |
| asparagine | ME446250 | 0.95 | 0.84 | 1.49 | 0.48 | 0.49 | 1.91 | 2.55 | 1.53 |
| 5-dodecenoate (12:1n7) | ME446190 | 0.36 | 0.76 | 1.46 | 0.91 | 0.57 | 1.70 | 2.53 | 1.37 |
| myristoleate (14:1n5) | ME446563 | 0.37 | 0.78 | 1.40 | 1.01 | 0.45 | 1.35 | 2.60 | 1.63 |
| 2-hydroxyglutarate | ME446081 | 0.97 | 0.77 | 1.22 | 1.01 | 0.01 | 1.59 | 2.11 | 1.50 |
| 3-hydroxyphenylacetate | ME446128 | 0.69 | 1.04 | 0.78 | 0.77 | NA | 2.15 | 2.12 | 1.34 |
| N-palmitoylserine | ME446651 | 0.86 | 0.96 | 0.75 | 1.07 | 0.19 | 1.84 | 2.28 | 0.78 |
| tridecanedioate (C13-DC) | ME446820 | 0.78 | 1.31 | 0.76 | NA | NA | NA | NA | 0.84 |
| sertraline | ME446768 | 0.56 | 1.38 | 2.34 | 0.47 | NA | NA | NA | NA |
| stearidonate (18:4n3) | ME446781 | 0.05 | 1.57 | 2.50 | 0.71 | NA | 0.03 | NA | 0.11 |
| 5alpha-pregnan-3(alpha or beta),20beta-diol disulfate | ME446183 | 0.20 | 2.08 | 1.56 | 0.53 | 0.01 | 0.16 | 0.02 | 0.09 |
| caffeic acid sulfate | ME446279 | 0.13 | 1.57 | 1.26 | 1.05 | NA | NA | NA | 0.11 |
| 4-hydroxychlorothalonil | ME446157 | NA | 0.92 | NA | 1.11 | 1.28 | NA | 0.65 | NA |
| 2-hydroxyhippurate (salicylurate) | ME446082 | 0.53 | 0.38 | 0.16 | 1.99 | 0.92 | NA | 0.45 | 0.07 |
| biochanin A | ME446272 | 1.11 | NA | 0.12 | 1.32 | 0.57 | NA | 1.13 | NA |
| 3-hydroxyhippurate | ME446123 | 1.59 | 0.05 | 1.20 | 2.26 | 0.04 | 0.03 | NA | NA |
| phenylacetylglutamine | ME446703 | 1.45 | 0.08 | 0.73 | 2.16 | NA | 0.20 | 0.02 | 0.91 |
| (R)-salsolinol | ME445987 | 0.37 | 0.33 | 0.94 | 2.14 | NA | 1.36 | 0.15 | 0.51 |
| 4-methylcatechol sulfate | ME446166 | 0.36 | 0.85 | 0.53 | 1.83 | NA | 1.04 | NA | 0.83 |
| N2,N5-diacetylornithine | ME446571 | 0.70 | 0.63 | 0.77 | 1.78 | 0.29 | 1.12 | 0.37 | 0.67 |
| ergosterol | ME446373 | 0.47 | 0.92 | 0.47 | 1.92 | 0.58 | 0.35 | 0.18 | 1.09 |
| diglycerol | ME446343 | 0.63 | 1.07 | 0.50 | 1.71 | 0.40 | 0.64 | 0.51 | 0.60 |
| LAHSA (18:2/OH-18:0)* | ME446502 | 0.48 | 1.04 | 0.41 | 1.85 | 0.62 | 0.33 | 0.48 | 0.77 |
| OAHSA (18:1/OH-18:0) | ME446662 | 0.56 | 1.00 | 0.56 | 1.70 | 0.54 | 0.33 | 0.71 | 0.75 |
| m-tyramine | ME446560 | 0.43 | 0.58 | 0.65 | 2.12 | 0.08 | 0.13 | 0.17 | 0.19 |
| deoxycholic acid sulfate | ME446333 | 0.52 | 0.93 | 0.37 | 2.01 | NA | 0.52 | 0.00 | 0.38 |
| N-acetylserotonin | ME446608 | 0.53 | 1.00 | 0.74 | 1.75 | NA | 0.75 | NA | 0.24 |
| bufotenine | ME446274 | NA | 0.38 | NA | 2.46 | NA | 0.17 | NA | 0.89 |
| 1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol (18:3/16:3) | ME446012 | 0.27 | 0.32 | NA | 2.41 | NA | 0.02 | 0.19 | 0.03 |
| hexanoylglycine | ME446462 | 0.46 | NA | 0.30 | 2.11 | NA | NA | 0.73 | NA |
| hippurate | ME446463 | 0.90 | 0.05 | 0.20 | 3.04 | 0.18 | 0.01 | 0.01 | 0.01 |
| N-acetylsphingosine | ME446609 | 0.29 | 0.38 | 0.22 | 3.12 | NA | 0.26 | 0.38 | 0.22 |
| lisinopril | ME446527 | 0.00 | 1.83 | 0.00 | 3.17 | NA | NA | NA | NA |
| 1,2,3-benzenetriol sulfate (1) | ME445991 | 0.05 | 1.93 | 0.02 | 2.21 | NA | 0.06 | 0.51 | NA |
| maltitol/lactitol/cellobiotol/palatinol | ME446538 | 0.03 | 2.03 | 0.13 | 2.19 | NA | NA | NA | 0.09 |
| saccharin | ME446756 | 0.29 | 1.93 | 0.08 | 1.87 | 0.06 | 0.08 | 0.15 | 0.02 |
| 5alpha-pregnan-3beta,20beta-diol monosulfate (1) | ME446187 | 0.23 | 1.97 | 0.38 | 1.50 | 0.05 | 0.58 | 0.08 | 0.31 |
| enterodiol | ME446369 | 0.25 | 1.76 | 0.41 | 1.43 | 0.31 | 0.38 | 0.49 | 0.13 |
| adenosine-2^,3^-cyclic monophosphate | ME446215 | NA | 1.74 | 0.06 | 1.40 | NA | NA | NA | 0.05 |
| hydrochlorothiazide | ME446470 | 0.10 | 1.35 | 0.58 | 1.62 | NA | NA | NA | NA |
| sucralose | ME446790 | 0.17 | 1.67 | 0.37 | 1.72 | 0.01 | 0.24 | 0.04 | 0.19 |
| 5alpha-pregnan-3beta-ol,20-one sulfate | ME446188 | 0.77 | 1.96 | 0.74 | 0.59 | NA | 0.82 | NA | 0.83 |
| pregnanolone/allopregnanolone sulfate | ME446724 | 0.33 | 2.26 | 0.34 | 0.81 | NA | 0.36 | NA | 0.43 |
| steviol | ME446784 | 0.44 | 1.84 | 0.14 | 0.94 | 0.09 | 0.64 | NA | 0.81 |
| 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) | ME446186 | 0.81 | 2.09 | 0.56 | 1.17 | NA | 0.16 | NA | 0.11 |
| homovanillate sulfate | ME446468 | 0.29 | 2.02 | 0.83 | 0.79 | 0.63 | 0.27 | NA | 0.13 |
| ciliatine (2-aminoethylphosphonate) | ME446308 | 0.85 | 0.56 | 0.91 | 0.93 | 0.43 | 7.83 | 0.30 | NA |
| diphenhydramine | ME446356 | 1.60 | 0.71 | 0.56 | 0.42 | 0.03 | 9.14 | NA | 0.17 |
| ursocholate | ME446837 | 0.43 | 0.42 | 0.13 | 0.27 | 0.26 | 7.49 | 1.38 | 4.18 |
| indolelactate | ME446483 | 0.78 | 0.34 | 0.36 | 0.45 | 2.67 | 3.45 | 0.46 | 5.04 |
| (15:2)-anacardic acid | ME445986 | 0.08 | 0.17 | 1.78 | 0.33 | NA | 5.05 | NA | 7.47 |
| maltotriose | ME446542 | 0.17 | 0.17 | 1.18 | 0.13 | 0.04 | 4.40 | NA | 5.88 |
| 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) | ME446034 | 0.19 | 0.27 | 0.84 | 0.19 | 11.16 | 0.14 | 7.66 | 0.05 |
| lactate | ME446497 | 0.33 | 0.36 | 1.31 | 0.43 | 13.51 | 0.80 | 0.60 | 1.49 |
Factors:
| F1 | Gender:Female | Timepoint:Baseline | CBT_Responder:No |
| F2 | Gender:Female | Timepoint:Baseline | CBT_Responder:Yes |
| F3 | Gender:Female | Timepoint:Post_CBT | CBT_Responder:No |
| F4 | Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes |
| F5 | Gender:Male | Timepoint:Baseline | CBT_Responder:No |
| F6 | Gender:Male | Timepoint:Baseline | CBT_Responder:Yes |
| F7 | Gender:Male | Timepoint:Post_CBT | CBT_Responder:No |
| F8 | Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes |