0 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 CCOC(=O)/C=C/C=C/C HMDB0040463 [0,0,0,0,0,0|0,0,4]=4 6 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,0,0,0,0,0|0,0,4]=4 7 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,0,0,0,0,0|0,0,0]=0 8 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.1 C/C=C\C(=O)OCC=C HMDB0032067 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,0,0,0,0,0|0,0,1]=2 13 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,0,0,0,0,0|0,0,0]=1 15 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.4 CC/C=C\CCCCO HMDB0031298 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 CCCCCCCC=C HMDB0031270 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.4 CCCCCCCC=O HMDB0001140 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.6 COC(=O)CCCSC HMDB0037619 [1,0,0,0,0,0|1,0,1]=3 22 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,1,0,0,0,0|0,0,2]=3 24 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,1,0,0,0,0|1,0,2]=4 25 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,1,0,0,0,0|0,0,2]=3 26 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,1,0,0,0,0|0,0,3]=4 27 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,1,0,0,0,0|0,0,2]=3 28 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,1,0,0,0,0|0,0,2]=3 29 B10R0.91 CCCCCC(=O)OCC=C HMDB0040210 [0,1,0,0,0,0|0,0,3]=4 30 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,1,0,0,0,0|0,0,2]=3 31 B10R0.91 CCCCCC(=O)OCSC HMDB0038300 [0,1,0,0,0,0|0,0,2]=3 32 B7R0.1 CC/C=C\CCC=O HMDB0031483 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.1 CC/C=C\CCCO HMDB0031405 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.1 CCCCCCC=C HMDB0032449 [2,0,0,0,0,0|0,0,1]=3 35 B7R0.1 CCCCCCC=O HMDB0031475 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.3 CCC(=O)OCC=C HMDB0029487 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.3 CCCCC(=O)CC HMDB0031482 [2,0,0,0,0,0|0,0,1]=3 38 B7R0.3 CCCCC(=O)OC HMDB0031207 [2,0,0,0,0,0|0,0,1]=3 39 B7R0.3 CCCOC(=O)CC HMDB0030059 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.3 COC(=O)CCC=C HMDB0040328 [2,0,0,0,0,0|0,0,0]=2 41 B7R0.3 COC(=O)CCSC HMDB0034377 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.7 CCCC(=O)CCC HMDB0004814 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.7 CCCC(=O)OCC HMDB0033889 [2,0,0,0,0,0|0,0,0]=2 45 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [2,0,0,0,0,0|0,0,2]=4 46 B7R0.7 CCOC(=O)CSC HMDB0040263 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.4 CC(=O)NCCC=O HMDB0012880 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|0,0,2]=4 49 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.4 NCCCCC(O)=O HMDB0003355 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.4 OC(=O)CCCC=O HMDB0012233 [2,0,0,0,0,0|1,0,0]=3 52 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [1,1,0,0,0,0|0,0,2]=4 53 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [1,1,0,0,0,0|0,0,1]=3 54 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [1,1,0,0,0,0|0,0,1]=3 55 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [1,1,0,0,0,0|0,0,1]=3 56 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [1,1,0,0,0,0|0,0,2]=4 57 B9R0.35 CCOC(=O)C(C)C=C=C HMDB0037196 [1,1,0,0,0,0|0,0,2]=4 58 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [1,1,0,0,0,0|0,0,1]=3 61 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.45 CC/C=C\CC/C=C\C=O HMDB0031261 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [1,1,0,0,0,0|0,0,2]=4 66 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [1,1,0,0,0,0|1,0,0]=3 67 B11R0.4 CCC/C=C/CCC(=O)OCC HMDB0039795 [0,2,0,0,0,0|0,0,2]=4 68 B11R0.4 CCCC(=O)OCC/C=C\CC HMDB0033377 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.4 CCCC/C=C/CC(=O)OCC HMDB0032275 [0,2,0,0,0,0|0,0,2]=4 70 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,2,0,0,0,0|0,0,2]=4 71 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,2,0,0,0,0|0,0,2]=4 72 B11R0.4 CCOC(=O)CC/C=C/CC=C HMDB0031156 [0,2,0,0,0,0|0,0,0]=2 73 B11R0.81 CCCCCCC(=O)OCCC HMDB0034457 [0,2,0,0,0,0|0,0,2]=4 74 B11R0.176 CCOC(=O)CCCSC(C)=O HMDB0032259 [0,2,0,0,0,0|0,0,1]=3 75 B11R0.191 CCCCC(CC)C(=O)OCC HMDB0032264 [0,2,0,0,0,0|0,0,2]=4 76 B11R0.46 CCCCCC(=O)OCC(C)C HMDB0036228 [0,2,0,0,0,0|0,0,2]=4 77 B11R0.140 CCCCCC(=O)OCCCC HMDB0040211 [0,2,0,0,0,0|0,0,2]=4 78 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [1,0,0,1,0,0|0,0,2]=4