0 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.1 CC(CCC=C(C)C)C=O HMDB0031834 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [1,0,0,0,0,0|0,0,3]=4 9 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [1,0,0,0,0,0|0,0,3]=4 10 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,0,0,0,0,0|0,0,1]=2 11 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,0,0,0,0,0|0,0,1]=2 16 B10R0.3 CC(C)=CC/C=C(\C)CC=O HMDB0030893 [0,1,0,0,0,0|0,0,2]=3 17 B10R0.3 CC(C)=CCC/C(C)=C/C=C HMDB0035792 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.3 CC(C)=CCC/C(C)=C/C=O HMDB0035078 [0,1,0,0,0,0|0,0,1]=2 19 B10R0.3 CC(C)=CCC/C(C)=C/C=O HMDB0035092 [0,1,0,0,0,0|0,0,1]=2 20 B10R0.3 CC(C)=CCC/C(C)=C/CO HMDB0035155 [0,1,0,0,0,0|0,0,2]=3 21 B10R0.3 CC(C)=CCC/C(C)=C\CS HMDB0036106 [0,1,0,0,0,0|0,1,1]=3 22 B10R0.3 CC(C)CCCC(C)CC=O HMDB0032241 [0,1,0,0,0,0|0,0,2]=3 23 B10R0.3 CC(CCC=C(C)C)CC=O HMDB0035841 [0,1,0,0,0,0|0,0,0]=1 24 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035093 [0,1,0,0,0,0|0,0,2]=3 25 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035094 [0,1,0,0,0,0|0,0,2]=3 26 B10R0.3 C[C@H](CCC=C(C)C)CC=O HMDB0035820 [0,1,0,0,0,0|0,0,0]=1 27 B10R0.3 C[C@H](CCC=C(C)C)CC=O HMDB0035842 [0,1,0,0,0,0|0,0,0]=1 28 B10R0.65 CC(=C)/C=C\CC(C)(O)C=C HMDB0035120 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.65 CC(C)=CCCC(C)(O)C#C HMDB0032242 [0,1,0,0,0,0|1,0,1]=3 30 B10R0.65 CC(C)=CCCC(C)(O)C=C HMDB0036100 [0,1,0,0,0,0|1,0,0]=2 31 B10R0.65 CC(C)=CCC[C@](C)(O)C=C HMDB0036101 [0,1,0,0,0,0|1,0,0]=2 32 B10R0.65 CC(C)=CCC[C@](C)(O)C=C HMDB0036102 [0,1,0,0,0,0|1,0,0]=2 33 B10R0.82 CC(C)C(=O)CCC(C)C=C HMDB0032118 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.82 CC(CCC(=O)C(C)=C)C=C HMDB0032120 [0,1,0,0,0,0|1,0,1]=3 35 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,1,0,0,0,0|3,0,0]=4 36 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,1,0,0,0,0|3,0,0]=4 37 B10R0.98 CC(C)=CC/C=C(\C)C(O)=O HMDB0035135 [0,1,0,0,0,0|0,0,2]=3 38 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.13 CC(C)=C1CCC(C)=CC1 HMDB0036994 [0,0,0,1,0,0|1,0,1]=3 40 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [0,0,0,1,0,0|1,0,2]=4 41 B10R1.13 CC(C)C1=CCC(C)CC1 HMDB0037213 [0,0,0,1,0,0|1,0,2]=4 42 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,0,0,1,0,0|0,0,2]=3 43 B10R1.301 CC1CCCC(C)(C)C1=O HMDB0033794 [0,0,0,1,0,0|0,0,2]=3 44 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,0,0,0,1,0|2,0,1]=4 45 B7R0.1 CC/C=C\CCC=O HMDB0031483 [2,0,0,0,0,0|0,0,2]=4 46 B7R0.1 CCCCCCC=O HMDB0031475 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.4 CC(=O)NCCC=O HMDB0012880 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 CC(C)=CCOC=O HMDB0032490 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.4 CCCCNC(C)=O HMDB0031651 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 CCCCOC(C)=O HMDB0031325 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.4 OC(=O)CCCC=O HMDB0012233 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [1,1,0,0,0,0|0,0,2]=4 55 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [1,1,0,0,0,0|0,0,2]=4 57 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [1,1,0,0,0,0|0,0,2]=4 59 B11R0.29 CC(C)=CCSCC(N)C(O)=O HMDB0012286 [0,1,0,0,0,1|1,0,0]=3 60 B11R0.6 CC(C)=CCCC(C)=CC(O)=O HMDB0036103 [0,2,0,0,0,0|0,0,1]=3 61 B11R0.6 CC(C)CCCC(C)OC(C)=O HMDB0032070 [0,2,0,0,0,0|0,0,2]=4 62 B11R0.6 CC(CCC=C(C)C)CC(O)=O HMDB0035837 [0,2,0,0,0,0|0,0,0]=2 63 B11R0.6 CC(CCC=C(C)C)OC(C)=O HMDB0030031 [0,2,0,0,0,0|0,0,0]=2 64 B11R0.6 CC(O)/C=C(\C)CCC=C(C)C HMDB0032238 [0,2,0,0,0,0|0,0,2]=4 65 B11R0.174 C/C(CO)=C/CC/C(C)=C/CO HMDB0038744 [0,2,0,0,0,0|0,0,2]=4 66 B11R0.180 CC(CCCC(C)(C)O)CC=O HMDB0031739 [0,2,0,0,0,0|0,0,2]=4 67 B11R0.92 CC(C)C(=O)C(O)CC(C)C=C HMDB0032119 [0,2,0,0,0,0|1,0,1]=4 68 B11R0.300 CC(C)=CC(=O)CC(C)(O)C=C HMDB0034670 [0,2,0,0,0,0|1,0,1]=4 69 B11R1.64 CC1CCC(C1C=O)C(C)=C HMDB0038290 [0,1,0,1,0,0|0,0,2]=4 70 B11R1.157 CC(C)=CC1CC(C)=CCO1 HMDB0038557 [0,1,0,1,0,0|0,0,2]=4 71 B11R1.157 CC1CCOC(C1)C=C(C)C HMDB0036097 [0,1,0,1,0,0|0,0,2]=4 72 B11R1.166 CC(C)=C1CCC(C)=CC1=O HMDB0036999 [0,1,0,1,0,0|0,0,1]=3 73 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O HMDB0035162 [0,1,0,1,0,0|0,0,2]=4 74 B11R1.166 CC(C)[C@@H]1CC[C@H](C)CC1=O HMDB0034972 [0,1,0,1,0,0|0,0,2]=4 75 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O HMDB0035783 [0,1,0,1,0,0|0,0,2]=4 76 B11R1.166 CC1CCC(=C(C)C)C(=O)C1 HMDB0035604 [0,1,0,1,0,0|0,0,0]=2 77 B11R1.166 CC1CCC(C(C)=C)C(=O)C1 HMDB0035741 [0,1,0,1,0,0|0,0,2]=4 78 B11R1.21 CC(C)[C@H]1CC[C@H](C)C(=O)C1 HMDB0034969 [0,1,0,1,0,0|0,0,2]=4 79 B11R1.21 CC1CCC(CC1=O)C(C)=C HMDB0036079 [0,1,0,1,0,0|0,0,2]=4 80 B11R1.21 C[C@H]1CC[C@@H](CC1=O)C(C)=C HMDB0036080 [0,1,0,1,0,0|0,0,2]=4 81 B11R1.22 CC(CO)C1CCC(C)=CC1 HMDB0037007 [0,1,0,1,0,0|0,0,2]=4 82 B11R1.727 CC(C)=C1CCC(C)(O)CC1 HMDB0036993 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.1322 CC1(C)CCCC(C)(O)C1=O HMDB0037023 [0,1,0,1,0,0|0,0,2]=4 84 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,1,0|0,0,2]=4 85 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,1,0|0,0,2]=4