0 B10R0.3 CC(C)=CC/C=C(\C)CC=O HMDB0030893 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.3 CC(C)=CCC/C(C)=C/C=C HMDB0035792 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.3 CC(C)=CCC/C(C)=C/C=O HMDB0035078 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.3 CC(C)=CCC/C(C)=C/C=O HMDB0035092 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.3 CC(C)=CCC/C(C)=C/CO HMDB0035155 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.3 CC(C)=CCC/C(C)=C\CO HMDB0005812 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.3 CC(C)=CCC/C(C)=C\CS HMDB0036106 [0,0,0,0,0,0|0,1,2]=3 7 B10R0.3 CC(C)CCCC(C)CC=O HMDB0032241 [0,0,0,0,0,0|0,0,4]=4 8 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,0,0,0,0,0|0,0,2]=2 9 B10R0.3 CC(CCC=C(C)C)CC=O HMDB0035841 [0,0,0,0,0,0|0,0,2]=2 10 B10R0.3 CC(CCO)CCCC(C)=C HMDB0037171 [0,0,0,0,0,0|0,0,2]=2 11 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.3 CCCC(S)CCOC(C)=O HMDB0038920 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035093 [0,0,0,0,0,0|0,0,0]=0 14 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035094 [0,0,0,0,0,0|0,0,0]=0 15 B10R0.3 C[C@H](CCC=C(C)C)CC=O HMDB0035820 [0,0,0,0,0,0|0,0,2]=2 16 B10R0.3 C[C@H](CCC=C(C)C)CC=O HMDB0035842 [0,0,0,0,0,0|0,0,2]=2 17 B9R0.1 CC(CCC=C(C)C)C=O HMDB0031834 [1,0,0,0,0,0|0,0,2]=3 18 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [1,0,0,0,0,0|0,0,2]=3 19 B9R0.2 CCCCC/C=C\C(C)=O HMDB0034764 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.5 CC/C=C\CC(O)CCO HMDB0030368 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.5 CCCCCC(O)CCO HMDB0029359 [1,0,0,0,0,0|1,0,2]=4 24 B11R0.6 CC(C)=CCCC(C)=CC(O)=O HMDB0036103 [0,1,0,0,0,0|0,0,3]=4 25 B11R0.6 CC(CCC=C(C)C)CC(O)=O HMDB0035837 [0,1,0,0,0,0|0,0,1]=2 26 B11R0.6 CC(CCC=C(C)C)OC(C)=O HMDB0030031 [0,1,0,0,0,0|1,0,2]=4 27 B11R0.6 CC(O)/C=C(\C)CCC=C(C)C HMDB0032238 [0,1,0,0,0,0|0,0,2]=3 28 B11R0.45 CCCC(CCOC(C)=O)SC HMDB0032427 [0,1,0,0,0,0|3,0,0]=4 29 B11R0.174 C/C(CO)=C/CC/C(C)=C/CO HMDB0038744 [0,1,0,0,0,0|0,0,2]=3 30 B11R0.180 CC(CCO)CCCC(C)(C)O HMDB0030083 [0,1,0,0,0,0|0,0,2]=3 31 B11R1.157 CC(C)=CC1CC(C)=CCO1 HMDB0038557 [0,0,0,1,0,0|0,0,2]=3 32 B11R1.157 CC1CCOC(C1)C=C(C)C HMDB0036097 [0,0,0,1,0,0|0,0,0]=1 33 B11R1.166 CC(C)C1CCC(C)CC1O HMDB0035765 [0,0,0,1,0,0|0,0,2]=3 34 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O HMDB0035763 [0,0,0,1,0,0|0,0,2]=3 35 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O HMDB0003352 [0,0,0,1,0,0|0,0,2]=3 36 B11R1.166 CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O HMDB0035764 [0,0,0,1,0,0|0,0,2]=3 37 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@H]1O HMDB0041628 [0,0,0,1,0,0|0,0,2]=3 38 B11R1.166 CC1CCC(=C(C)C)C(=O)C1 HMDB0035604 [0,0,0,1,0,0|0,0,2]=3 39 B11R1.166 CC1CCC(C(O)C1)C(C)=C HMDB0036077 [0,0,0,1,0,0|0,0,2]=3 40 B11R1.166 C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C HMDB0036078 [0,0,0,1,0,0|0,0,2]=3 41 B8R0.6 CCC(C)SS/C=C/C HMDB0034426 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.7 CCCC/C=C/C(C)=O HMDB0033547 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.7 CCCCCCC(C)=O HMDB0031294 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.7 CCCCCCC(C)C HMDB0031556 [2,0,0,0,0,0|0,0,2]=4 45 B8R0.7 CCCCCOC(C)=O HMDB0039095 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [2,0,0,0,0,0|0,0,2]=4 47 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [2,0,0,0,0,0|0,0,2]=4 48 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [2,0,0,0,0,0|0,0,0]=2 51 B8R0.4 C/C=C\CCCCC=O HMDB0039769 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.4 CC/C=C\CCCCO HMDB0031298 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.4 CCCCCCCCO HMDB0001183 [2,0,0,0,0,0|0,0,2]=4 54 B10R0.65 CC(C)=CCCC(C)(O)C#C HMDB0032242 [1,1,0,0,0,0|0,0,2]=4 55 B10R0.65 CC(C)=CCCC(C)(O)C=C HMDB0036100 [1,1,0,0,0,0|0,0,2]=4 56 B10R0.65 CC(C)=CCC[C@](C)(O)C=C HMDB0036101 [1,1,0,0,0,0|0,0,2]=4 57 B10R0.65 CC(C)=CCC[C@](C)(O)C=C HMDB0036102 [1,1,0,0,0,0|0,0,2]=4 58 B10R0.65 CCC(C)(O)CCCC(C)C HMDB0035246 [1,1,0,0,0,0|0,0,2]=4 59 B10R0.4 CCCCCC/C=C\C(C)=O HMDB0031410 [1,1,0,0,0,0|2,0,0]=4 60 B12R0.140 CC(C)=CCC/C(C)=C/C(C)(C)O HMDB0032542 [0,2,0,0,0,0|0,0,2]=4 61 B12R0.140 CC(CCC=C(C)C)CC(C)(C)O HMDB0032543 [0,2,0,0,0,0|0,0,0]=2 62 B12R0.240 COC(=O)CC(C)CCC=C(C)C HMDB0037225 [0,2,0,0,0,0|0,0,1]=3 63 B12R0.44 CC(C)CCCC(C)CCC(O)=O HMDB0002373 [0,2,0,0,0,0|0,0,2]=4 64 B12R0.233 CC(C)=CCC/C(C)=C\COC=O HMDB0035156 [0,2,0,0,0,0|0,0,2]=4 65 B12R0.233 CC(CCCC(C)=C)CCOC=O HMDB0037185 [0,2,0,0,0,0|0,0,2]=4 66 B12R0.233 CC(CCOC=O)CCC=C(C)C HMDB0033371 [0,2,0,0,0,0|0,0,0]=2 67 B10R1.13 CC(C)=C1CCC(C)=CC1 HMDB0036994 [1,0,0,1,0,0|0,0,2]=4 68 B10R1.13 CC(C)C1=CCC(C)CC1 HMDB0037213 [1,0,0,1,0,0|0,0,2]=4 69 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [1,0,0,1,0,0|0,0,2]=4 70 B10R1.194 CC(C)C1CCC(C)C1C HMDB0035141 [1,0,0,1,0,0|0,0,2]=4 71 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [1,0,0,1,0,0|2,0,0]=4 72 B12R1.16 CC(CC=O)C1CCC(C)=CC1 HMDB0030252 [0,1,0,1,0,0|0,0,2]=4 73 B12R1.829 CC(C)C1CCC(C)(O)CC1O HMDB0037387 [0,1,0,1,0,0|0,0,2]=4 74 B12R1.893 CC(C)C1CCC(C)C(O)C1O HMDB0035723 [0,1,0,1,0,0|0,0,2]=4 75 B12R1.57 COC1CC(C)CCC1C(C)C HMDB0032371 [0,1,0,1,0,0|0,0,2]=4 76 B12R1.126 CC1CCC(C(O)C1)C(C)(C)O HMDB0036145 [0,1,0,1,0,0|0,0,2]=4 77 B12R2.612 CC1=C2CCC(C)=CC2OC1 HMDB0037561 [0,0,0,2,0,0|0,0,2]=4 78 B12R2.612 CC1CCC2=C(C1)OC=C2C HMDB0036089 [0,0,0,2,0,0|0,0,2]=4 79 B8R0.9 CCC(C)COC(C)=O HMDB0034166 [1,0,0,0,1,0|2,0,0]=4