0 B9R0.2 C/C=C/C=C/COC(C)=O HMDB0032311 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CC/C=C/CCOC(C)=O HMDB0032533 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.4 CCCCCCCC=O HMDB0001140 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.7 CC(=O)NCCCCN HMDB0002064 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [1,0,0,0,0,0|0,0,3]=4 13 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.7 CCCCOCC(O)=O HMDB0041844 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.7 CSCCCOC(C)=O HMDB0031717 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.7 CSS/C=C/CS(C)=O HMDB0032124 [1,0,0,0,0,0|3,0,0]=4 21 B10R0.4 CCCC/C=C/COC(C)=O HMDB0032307 [0,1,0,0,0,0|0,0,0]=1 22 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,1,0,0,0,0|0,0,2]=3 24 B10R0.74 CCC(=O)OC/C=C/C=C/C HMDB0032314 [0,1,0,0,0,0|0,0,2]=3 25 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [0,1,0,0,0,0|1,0,0]=2 26 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,1,0,0,0,0|1,0,2]=4 27 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.74 COC(=O)CC/C=C/CC=C HMDB0040285 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [0,1,0,0,0,0|0,0,2]=3 30 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [0,0,0,1,0,0|0,0,2]=3 33 B10R1.39 CCN1C=CC=C1C(C)=O HMDB0029759 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [0,0,0,1,0,0|1,0,1]=3 35 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.1 CC/C=C\CCC=O HMDB0031483 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.1 CCCCCCC=O HMDB0031475 [2,0,0,0,0,0|0,0,2]=4 38 B7R0.1 CCCCCCOC HMDB0032407 [2,0,0,0,0,0|0,0,2]=4 39 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [2,0,0,0,0,0|0,0,2]=4 40 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [2,0,0,0,0,0|0,0,0]=2 41 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|0,0,1]=3 43 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.4 CCCCNC(C)=O HMDB0031651 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.4 CCCCOC(C)=O HMDB0031325 [2,0,0,0,0,0|0,0,0]=2 46 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [1,1,0,0,0,0|0,0,2]=4 47 B9R0.45 CC/C=C\C/C=C\CCO HMDB0030957 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [1,1,0,0,0,0|1,0,0]=3 49 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [1,1,0,0,0,0|0,0,2]=4 51 B9R0.48 CCCC(=O)NCC(O)=O HMDB0000808 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [1,1,0,0,0,0|2,0,0]=4 53 B11R0.6 CC(C)CCCC(C)OC(C)=O HMDB0032070 [0,2,0,0,0,0|0,0,2]=4 54 B11R0.147 CCCCC(S)CCOC(C)=O HMDB0032372 [0,2,0,0,0,0|0,0,2]=4 55 B11R0.42 C/C=C/C=C/COC(=O)C(C)C HMDB0032313 [0,2,0,0,0,0|0,0,2]=4 56 B11R0.148 CC/C=C\CCCCOC(C)=O HMDB0029358 [0,2,0,0,0,0|0,0,2]=4 57 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [0,2,0,0,0,0|2,0,0]=4 58 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [0,2,0,0,0,0|2,0,0]=4 59 B11R0.148 CCCCC/C=C\COC(C)=O HMDB0031297 [0,2,0,0,0,0|0,0,0]=2 60 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [0,2,0,0,0,0|0,0,2]=4 61 B11R0.77 CCCCCC(OC(C)=O)C=C HMDB0032452 [0,2,0,0,0,0|0,0,2]=4 62 B11R0.4 CC/C=C\CCOC(=O)/C=C/C HMDB0032319 [0,2,0,0,0,0|0,0,2]=4 63 B11R0.4 CCC/C=C/CCC(=O)OCC HMDB0039795 [0,2,0,0,0,0|1,0,0]=3 64 B11R0.4 CCC/C=C/COC(=O)CCC HMDB0034581 [0,2,0,0,0,0|0,0,0]=2 65 B11R0.4 CCCC(=O)OC/C=C/C=C/C HMDB0032312 [0,2,0,0,0,0|0,0,2]=4 66 B11R0.4 CCCC(=O)OCC/C=C\CC HMDB0033377 [0,2,0,0,0,0|0,0,2]=4 67 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,2,0,0,0,0|0,0,2]=4 68 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,2,0,0,0,0|0,0,2]=4 69 B9R1.8 O=COC1CCCCC1 HMDB0031351 [1,0,0,1,0,0|0,0,2]=4 70 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [0,1,0,1,0,0|0,0,2]=4 72 B11R1.25 CCC(=O)OCC1CCCO1 HMDB0031177 [0,1,0,1,0,0|1,0,1]=4