0 B7R0.4 CC(=O)NCCC=O HMDB0012880 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.4 CC(C)=CCOC=O HMDB0032490 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.4 CC(C)CCC=O HMDB0001318 [1,0,0,0,0,0|0,0,2]=3 5 B6R0.4 CC(C)COC=O HMDB0031247 [1,0,0,0,0,0|0,0,1]=2 6 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.6 CCCCCC=O HMDB0005994 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.6 CCCCON=O HMDB0031329 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 O=CCCCC=O HMDB0029599 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.21 C[N+](C)(C)CCCC=O HMDB0001345 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,1,0,0,0,0|0,0,2]=3 17 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,1,0,0,0,0|0,0,0]=1 20 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,1,0,0,0,0|0,1,0]=2 21 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,1,0,0,0,0|1,0,2]=4 24 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,0,0,1,0,0|1,0,2]=4 26 B5R0.1 C/C=C/C(C)=O HMDB0001184 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 CC(=C)CCO HMDB0030126 [2,0,0,0,0,0|0,0,2]=4 28 B5R0.1 CC(=O)CC=C HMDB0031606 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 CC(=O)OC=C HMDB0031209 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 CC(C)=CC=O HMDB0012157 [2,0,0,0,0,0|0,0,0]=2 31 B5R0.1 CC(C)=CCO HMDB0030124 [2,0,0,0,0,0|0,0,0]=2 32 B5R0.1 CC(C)=CCS HMDB0031529 [2,0,0,0,0,0|0,1,0]=3 33 B5R0.1 CC(C)CCO HMDB0006007 [2,0,0,0,0,0|0,0,2]=4 34 B5R0.1 CN(C)CCO HMDB0032231 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.1 OC(=O)CC=O HMDB0011111 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.2 C=C/C=C\C=O HMDB0031597 [2,0,0,0,0,0|0,0,2]=4 37 B5R0.2 C=CCCC=O HMDB0032458 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|0,0,2]=4 39 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,0,2]=4 40 B5R0.2 CSCCC=O HMDB0031857 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,1,0,0,0,0|0,0,2]=4 43 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [1,1,0,0,0,0|0,0,2]=4 46 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [1,1,0,0,0,0|0,0,2]=4 47 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,1,0,0,0,0|0,0,2]=4 48 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,1,0,0,0,0|0,0,2]=4 49 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,1,0,0,0,0|0,0,1]=3 50 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.1 CC(CCC=C(C)C)C=O HMDB0031834 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.56 CC(=O)OCC[N+](C)(C)C HMDB0000895 [0,2,0,0,0,0|1,0,1]=4 56 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,0,0,1,0,0|0,0,2]=4 57 B7R1.2 CC1COC(=O)C1 HMDB0002167 [1,0,0,1,0,0|0,0,1]=3 58 B7R1.3 CC1=CC=CCC1 HMDB0031532 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.3 CC1=CCCC=C1 HMDB0032395 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,1,0,1,0,0|0,0,2]=4 62 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,1,0,1,0,0|1,0,1]=4