0 B9R0.7 CC(C)C(=O)NCC(O)=O HMDB0000730 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.57 C/C=C(/C)C(=O)OCC(C)C HMDB0037629 [0,1,0,0,0,0|0,0,1]=2 10 B10R0.82 CC(C)C(=O)CCC(C)C=C HMDB0032118 [0,1,0,0,0,0|1,0,1]=3 11 B10R1.13 CC(C)C1=CCC(C)CC1 HMDB0037213 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,0,0,1,0,0|2,0,1]=4 13 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,0,0,0,1,0|1,0,1]=3 14 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,0,0,0,1,0|2,0,1]=4 15 B10R0.98 CC(C)C(=O)OCC=C(C)C HMDB0032491 [0,0,0,0,0,1|0,0,1]=2 16 B10R0.98 CC(C)C(=O)SCC=C(C)C HMDB0031699 [0,0,0,0,0,1|0,1,1]=3 17 B7R0.3 CCC(=O)OCC=C HMDB0029487 [2,0,0,0,0,0|0,0,2]=4 18 B7R0.3 CCCCC(=O)CC HMDB0031482 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.3 CCCCC(=O)OC HMDB0031207 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.3 CCCOC(=O)CC HMDB0030059 [2,0,0,0,0,0|0,0,0]=2 21 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.4 CCCNCC(C)C HMDB0031244 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [2,0,0,0,0,0|0,0,0]=2 25 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.6 CC(C)COC(C)=O HMDB0031246 [2,0,0,0,0,0|0,0,0]=2 30 B9R0.8 CCC(C)C(=O)SCSC HMDB0031714 [1,1,0,0,0,0|1,1,0]=4 31 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [1,1,0,0,0,0|0,0,1]=3 34 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [1,1,0,0,0,0|0,0,2]=4 35 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [1,1,0,0,0,0|0,0,0]=2 36 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [1,1,0,0,0,0|1,0,0]=3 37 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0013821 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0031417 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.53 CC(C)CC(O)CC(C)C HMDB0031153 [1,1,0,0,0,0|1,0,1]=4 41 B11R0.93 CSC(C)CC(=O)OCC(C)C HMDB0032346 [0,1,0,0,0,1|0,0,0]=2 42 B11R0.107 CCC(C)COC(=O)C=C(C)C HMDB0032393 [0,1,0,0,0,1|0,0,1]=3 43 B11R0.145 CCC(C)C(=O)OCCC(C)C HMDB0040157 [0,1,0,0,0,1|0,0,0]=2 44 B11R0.92 CC(C)C(=O)C(O)CC(C)C=C HMDB0032119 [0,2,0,0,0,0|1,0,1]=4 45 B11R0.120 CCC(C)COC(=O)C(C)CC HMDB0039218 [0,2,0,0,0,0|0,0,0]=2 46 B9R1.35 CC(C)C1OCC(C)O1 HMDB0032204 [1,0,0,1,0,0|0,0,2]=4 47 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,0,0,1,1,0|0,0,0]=2 48 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O HMDB0035162 [0,1,0,1,0,0|1,0,1]=4 49 B11R1.166 CC(C)[C@@H]1CC[C@H](C)CC1=O HMDB0034972 [0,1,0,1,0,0|1,0,1]=4 50 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O HMDB0035783 [0,1,0,1,0,0|1,0,1]=4 51 B11R1.166 CC1CCC(=C(C)C)C(=O)C1 HMDB0035604 [0,1,0,1,0,0|1,0,1]=4 52 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [1,0,0,0,1,0|0,0,0]=2 53 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,0,0,0,1,0|0,0,0]=2 54 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,0,0,0,1,0|1,0,0]=3 55 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,0,0,0,1,0|2,0,0]=4 56 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,0,0,0,1,0|2,0,0]=4 57 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,0,0,0,2,0|1,0,1]=4 58 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [0,0,0,0,2,0|0,0,0]=2 59 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [1,0,0,0,0,1|0,0,0]=2 60 B11R0.6 CC(C)CCOC(=O)C=C(C)C HMDB0040530 [0,0,0,0,0,2|0,0,1]=3 61 B11R0.6 CC(C)CCOC(=O)CC(C)C HMDB0030029 [0,0,0,0,0,2|0,0,0]=2