0 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.23 NC(=O)N[C@@H](O)C(O)=O HMDB0001005 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.11 CC(C)(CC(O)=O)C(O)=O HMDB0002074 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.39 CC(=O)N[C@@H](CO)C(O)=O HMDB0002931 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O HMDB0001890 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.69 CC1NC(=O)CNC1=O HMDB0031547 [0,0,0,1,0,0|2,0,0]=3 32 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,0,0,0,1,0|2,0,0]=3 33 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,0,0,1,0|1,0,0]=2 34 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,0,0,0,1,0|1,0,0]=2 35 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,0,0,0,1,0|2,0,0]=3 36 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,0,0,0,1,0|1,0,2]=4 37 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,0,0,0,1,0|1,0,2]=4 38 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,0,0,0,1,0|1,0,2]=4 39 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,0,0,0,1,0|1,0,2]=4 40 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,0,0,0,1,0|3,0,0]=4 41 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [0,0,0,0,0,1|2,0,0]=3 42 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,0,0,0,0,1|3,0,0]=4 43 B9R0.7 CC(CNC(N)=O)C(O)=O HMDB0002031 [0,0,0,0,0,1|3,0,0]=4 44 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [0,0,0,0,0,1|3,0,0]=4 45 B6R0.1 CC(CC=C)C=O HMDB0030332 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.1 CCCC(C)C=O HMDB0031578 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.1 CCOC(C)CC HMDB0031326 [2,0,0,0,0,0|0,0,2]=4 48 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [2,0,0,0,0,0|0,0,1]=3 50 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [2,0,0,0,0,0|0,0,1]=3 52 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.2 CC(C)CC(C)=O HMDB0002939 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.2 CC(C)CC(O)=O HMDB0000718 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.2 CC(C)OC(C)=O HMDB0031241 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.2 CC(S)CC(C)=O HMDB0032376 [2,0,0,0,0,0|1,1,0]=4 57 B6R0.4 CC(C)COC=O HMDB0031247 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.3 CCC(C)C(O)=O HMDB0002176 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,1,0,0,0,0|0,0,1]=3 71 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [1,1,0,0,0,0|0,0,1]=3 72 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [1,1,0,0,0,0|0,0,2]=4 77 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.9 NCC(=O)NCC(O)=O HMDB0011733 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.18 CCC(C(O)=O)C(O)=O HMDB0000622 [0,1,0,0,1,0|2,0,0]=4 81 B8R0.37 CC(=O)C(C)(O)C(O)=O HMDB0006833 [0,1,0,0,1,0|1,0,0]=3 82 B8R0.37 CC(=O)[C@](C)(O)C(O)=O HMDB0006855 [0,1,0,0,1,0|1,0,0]=3 83 B8R0.37 CC(C)(C(O)=O)C(O)=O HMDB0002001 [0,1,0,0,1,0|2,0,0]=4 84 B10R0.84 CC(=O)SCC(CS)C(O)=O HMDB0035717 [0,1,0,0,0,1|1,1,0]=4 85 B10R0.53 NCC(=O)NC(CO)C(O)=O HMDB0028850 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.53 NCC(=O)NC(CS)C(O)=O HMDB0028838 [0,2,0,0,0,0|2,0,0]=4 87 B10R0.162 CC(C)C(NC(C)=O)C(O)=O HMDB0011757 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.26 CCCC(=O)OC(C)C(C)=O HMDB0036230 [0,2,0,0,0,0|0,0,0]=2 89 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,1,0,0|0,0,1]=3 90 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|0,0,1]=3 91 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.54 OC(=O)CC1CCC(=O)O1 HMDB0029171 [0,0,0,1,0,1|1,0,0]=3 98 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [0,0,0,1,0,1|1,0,1]=4 99 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [1,0,0,0,0,1|1,0,0]=3 100 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,0,0,0,0,1|2,0,0]=4 101 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [1,0,0,0,0,1|1,0,0]=3 102 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [1,0,0,0,0,1|1,1,0]=4 103 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,0,0,0,0,1|1,0,1]=4 104 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,0,0,0,0,2|2,0,0]=4