0 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,0,0,0,0,0|1,0,2]=3 7 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [1,0,0,0,0,0|0,0,0]=1 9 B9R0.2 CCCCC/C=C\C(C)=O HMDB0034764 [1,0,0,0,0,0|0,0,0]=1 10 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [1,0,0,0,0,0|0,0,0]=1 11 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [1,0,0,0,0,0|0,0,2]=3 12 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [1,0,0,0,0,0|0,0,2]=3 13 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.45 CCCC/C=C/C=C/CO HMDB0034845 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.45 CCCC/C=C/C=C\C=O HMDB0031685 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.45 CCCC/C=C\C=C/CO HMDB0038400 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [1,0,0,0,0,0|0,0,0]=1 24 B9R0.46 CCCCC/C=C(/C)C=O HMDB0033554 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [1,0,0,0,0,0|1,0,1]=3 26 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [1,0,0,0,0,0|0,0,1]=2 27 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.46 CCCCCOC(C)OC HMDB0038679 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.4 CCCC/C=C/CC(=O)OCC HMDB0032275 [0,1,0,0,0,0|0,0,2]=3 30 B11R0.4 CCCCC/C=C/C(C)CCO HMDB0031065 [0,1,0,0,0,0|2,0,1]=4 31 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,1,0,0,0,0|0,0,0]=1 32 B11R0.4 CCCCCC/C=C(/C)CCO HMDB0031064 [0,1,0,0,0,0|2,0,1]=4 33 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,1,0,0,0,0|0,0,2]=3 34 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,1,0,0,0,0|2,0,1]=4 35 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,1,0,0,0,0|2,0,1]=4 36 B11R0.40 CCCCC/C=C\CC(=O)OC HMDB0029859 [0,1,0,0,0,0|0,0,0]=1 37 B11R0.40 CCCCCC/C=C\C(=O)OC HMDB0040194 [0,1,0,0,0,0|0,0,0]=1 38 B11R0.40 CCCCCCC#CC(=O)OC HMDB0031273 [0,1,0,0,0,0|0,0,2]=3 39 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [0,1,0,0,0,0|0,0,2]=3 40 B11R0.42 CCCCCCOC(=O)C(C)C HMDB0037849 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.1 CCCCC1COC(=O)CO1 HMDB0037147 [0,0,0,1,0,0|1,0,1]=3 42 B11R1.27 CCCCCC1=COC(C)=N1 HMDB0037856 [0,0,0,1,0,0|2,0,1]=4 43 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [0,0,0,1,0,0|2,0,1]=4 44 B11R1.40 CCC(=O)OC1CCCCC1 HMDB0036222 [0,0,0,1,0,0|2,0,1]=4 45 B8R0.4 C/C=C/CC/C=C/C=O HMDB0039844 [2,0,0,0,0,0|0,0,2]=4 46 B8R0.4 CC/C=C\CCCCO HMDB0031298 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [2,0,0,0,0,0|0,0,2]=4 48 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [2,0,0,0,0,0|0,0,0]=2 49 B8R0.4 CCCCC/C=C\CO HMDB0031296 [2,0,0,0,0,0|0,0,1]=3 50 B8R0.4 CCCCCCOC=O HMDB0032874 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.7 CCCC/C=C/C(C)=O HMDB0033547 [2,0,0,0,0,0|0,0,0]=2 53 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [2,0,0,0,0,0|0,0,0]=2 55 B8R0.7 CCCCCCC(C)=O HMDB0031294 [2,0,0,0,0,0|0,0,1]=3 56 B8R0.7 CCCCCCC(O)=O HMDB0000666 [2,0,0,0,0,0|0,0,1]=3 57 B8R0.7 CCCCCOC(C)=O HMDB0039095 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.7 CSCCCOC(C)=O HMDB0031717 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [2,0,0,0,0,0|0,0,2]=4 60 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [2,0,0,0,0,0|1,0,0]=3 61 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [2,0,0,0,0,0|0,0,0]=2 62 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.6 CCCCCC(=O)CC HMDB0031295 [2,0,0,0,0,0|1,0,0]=3 64 B8R0.6 CCCCCC(=O)OC HMDB0035238 [2,0,0,0,0,0|0,0,0]=2 65 B8R0.6 CCCCCC(=O)SC HMDB0039465 [2,0,0,0,0,0|0,1,0]=3 66 B8R0.6 CCCCOC(=O)CC HMDB0030052 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [2,0,0,0,0,0|0,0,2]=4 68 B8R0.6 COC(=O)CCCSC HMDB0037619 [2,0,0,0,0,0|1,0,0]=3 69 B10R0.3 CCCC(S)CCOC(C)=O HMDB0038920 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.4 CCCC/C=C/COC(C)=O HMDB0032307 [1,1,0,0,0,0|0,0,2]=4 71 B10R0.4 CCCCCC/C=C\C(C)=O HMDB0031410 [1,1,0,0,0,0|0,0,0]=2 72 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [1,1,0,0,0,0|0,0,0]=2 73 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,1,0,0,0,0|0,0,2]=4 74 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,1,0,0,0,0|0,0,2]=4 75 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,1,0,0,0,0|0,0,2]=4 76 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [1,1,0,0,0,0|0,0,1]=3 77 B10R0.6 CCCCCC(=O)CC([O-])=O HMDB0039845 [1,1,0,0,0,0|0,0,2]=4 78 B10R0.6 CCCCOC(=O)CC(C)=O HMDB0040447 [1,1,0,0,0,0|1,0,1]=4 79 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [1,1,0,0,0,0|0,0,2]=4 80 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [1,1,0,0,0,0|1,0,1]=4 81 B10R0.71 CCCCC/C=C/C=C/CO HMDB0036196 [1,1,0,0,0,0|1,0,0]=3 82 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.71 CCCCC/C=C\C=C\C=O HMDB0036598 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [1,1,0,0,0,0|1,0,1]=4 85 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [1,1,0,0,0,0|1,0,1]=4 86 B12R0.1 CCCCCC/C=C\C(=O)OCC HMDB0031272 [0,2,0,0,0,0|0,0,0]=2 87 B12R0.1 CCCCCCC#CC(=O)OCC HMDB0036215 [0,2,0,0,0,0|0,0,2]=4 88 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,2,0,0,0,0|0,0,2]=4 89 B12R0.1 CCNC(=O)/C=C/CC/C=C\CC HMDB0032273 [0,2,0,0,0,0|1,0,1]=4 90 B12R0.206 CCCCCCCC(=O)OCC=C HMDB0040593 [0,2,0,0,0,0|0,0,2]=4 91 B12R0.239 CCCCCC(O)CC(=O)OCC HMDB0041600 [0,2,0,0,0,0|0,0,2]=4 92 B12R0.239 CCCCOC(=O)CC(=O)OCC HMDB0036233 [0,2,0,0,0,0|1,0,1]=4 93 B12R0.248 CCCCC/C=C\C=C\C(=O)OC HMDB0034730 [0,2,0,0,0,0|0,0,0]=2 94 B12R0.248 CCCCCCC/C=C/C(=O)OC HMDB0032396 [0,2,0,0,0,0|0,0,0]=2 95 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,2,0,0,0,0|0,0,2]=4 96 B12R0.248 COC(=O)CC/C=C\CC/C=C\C HMDB0034708 [0,2,0,0,0,0|0,0,2]=4 97 B10R1.10 CCCC1CCCC(=O)O1 HMDB0038310 [1,0,0,1,0,0|0,0,2]=4 98 B10R1.16 CCCCC1CCC(=O)O1 HMDB0035422 [1,0,0,1,0,0|0,0,2]=4 99 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [1,0,0,1,0,0|1,0,1]=4 100 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [1,0,0,1,0,0|0,0,2]=4 101 B10R1.21 CCCCCC1=CC=CO1 HMDB0013824 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.21 CCCCCC1=CC=CO1 HMDB0031084 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.21 CCCCCC1=CC=CS1 HMDB0040240 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.15 CCC(=O)C1=CCCCN1 HMDB0034884 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [1,0,0,1,0,0|0,0,1]=3 106 B12R1.372 CCCCC/C=C1/CCCC1=O HMDB0031728 [0,1,0,1,0,0|1,0,0]=3 107 B12R1.1 CCCCCC1COC(=O)CO1 HMDB0037146 [0,1,0,1,0,0|0,0,2]=4 108 B12R1.455 CCCCCC1=NC(CC)=CS1 HMDB0040109 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.24 O=C1CCC2CCCCC2O1 HMDB0037276 [0,0,0,2,0,0|0,0,2]=4 110 B12R2.586 O=C1CCC2=C1NCCCC2 HMDB0039663 [0,0,0,2,0,0|2,0,0]=4