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/C=C/CCOC(C)=O HMDB0032533 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.2 CC/C=C\CCOC(C)=O HMDB0040215 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.2 CCC/C=C/CCC(C)=O HMDB0034761 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.2 CCC/C=C/COC(C)=O HMDB0040212 [0,0,0,0,0,0|0,0,2]=2 7 B9R0.2 CCCCC/C=C\C(C)=O HMDB0034764 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,0,0,0,0,0|0,0,2]=2 11 B8R0.4 C/C=C/CC/C=C/C=O HMDB0039844 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.4 C/C=C\CCCCC=O HMDB0039769 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.4 CC/C=C/CCCC=O HMDB0039770 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.4 CC/C=C\CCCCO HMDB0031298 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.4 CC/C=C\CCOC=O HMDB0040214 [1,0,0,0,0,0|0,0,0]=1 16 B8R0.4 CCC/C=C/COC=O HMDB0038271 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.4 CCCCC/C=C\CO HMDB0031296 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.4 CCCCCCOC=O HMDB0032874 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.7 CC/C=C\CCC(C)=O HMDB0035390 [1,0,0,0,0,0|0,0,0]=1 22 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.7 CCCC/C=C/C(C)=O HMDB0033547 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,0,0,0,0,0|0,0,2]=3 25 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.7 CCCCCOC(C)=O HMDB0039095 [1,0,0,0,0,0|0,0,1]=2 27 B8R0.7 CSCCCOC(C)=O HMDB0031717 [1,0,0,0,0,0|1,0,1]=3 28 B10R0.3 CC(C)=CCC/C(C)=C/CO HMDB0035155 [0,1,0,0,0,0|3,0,0]=4 29 B10R0.3 CC(C)=CCC/C(C)=C\CO HMDB0005812 [0,1,0,0,0,0|3,0,0]=4 30 B10R0.3 CC(C)=CCC/C(C)=C\CS HMDB0036106 [0,1,0,0,0,0|3,0,0]=4 31 B10R0.3 CCCC(S)CCOC(C)=O HMDB0038920 [0,1,0,0,0,0|0,0,2]=3 32 B10R0.4 CCC/C=C/CCOC(C)=O HMDB0037618 [0,1,0,0,0,0|0,0,0]=1 33 B10R0.4 CCCC/C=C/COC(C)=O HMDB0032307 [0,1,0,0,0,0|0,0,2]=3 34 B10R0.4 CCCCCC/C=C\C(C)=O HMDB0031410 [0,1,0,0,0,0|1,0,2]=4 35 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,1,0,0,0,0|1,0,2]=4 36 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,1,0,0,0,0|0,0,2]=3 37 B10R0.4 OCC=C=CCCCC(O)=O HMDB0031101 [0,1,0,0,0,0|3,0,0]=4 38 B10R0.74 CC/C=C\CCOC(=O)CC HMDB0038275 [0,1,0,0,0,0|0,0,0]=1 39 B10R0.74 CCC(=O)OC/C=C/C=C/C HMDB0032314 [0,1,0,0,0,0|0,0,2]=3 40 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [0,1,0,0,0,0|1,0,2]=4 41 B10R0.74 CCC/C=C/COC(=O)CC HMDB0038272 [0,1,0,0,0,0|0,0,2]=3 42 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,1,0,0,0,0|1,0,2]=4 44 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [0,1,0,0,0,0|0,0,2]=3 45 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [0,1,0,0,0,0|0,0,2]=3 46 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [0,0,0,1,0,0|0,0,2]=3 47 B10R1.66 CC(=O)OCC1=CC=CO1 HMDB0034246 [0,0,0,1,0,0|1,0,2]=4 48 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [0,0,0,1,0,0|1,0,1]=3 49 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.1 CC/C=C\CCC=O HMDB0031483 [2,0,0,0,0,0|0,0,0]=2 51 B7R0.1 CC/C=C\CCCO HMDB0031405 [2,0,0,0,0,0|0,0,2]=4 52 B7R0.1 CCCCCCC=O HMDB0031475 [2,0,0,0,0,0|0,0,2]=4 53 B7R0.1 CCCCCCOC HMDB0032407 [2,0,0,0,0,0|0,0,2]=4 54 B7R0.1 CCCCCOC=O HMDB0040327 [2,0,0,0,0,0|0,0,1]=3 55 B7R0.4 CC(=O)CCCC=O HMDB0033568 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [2,0,0,0,0,0|0,0,0]=2 57 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [2,0,0,0,0,0|0,0,2]=4 58 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.4 CCCCNC(C)=O HMDB0031651 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.4 CCCCOC(C)=O HMDB0031325 [2,0,0,0,0,0|0,0,0]=2 63 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [1,1,0,0,0,0|0,0,2]=4 64 B9R0.45 CC/C=C\C/C=C\CC=O HMDB0031152 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.45 CC/C=C\CC/C=C/C=O HMDB0033857 [1,1,0,0,0,0|1,0,0]=3 66 B9R0.45 CC/C=C\CC/C=C\C=O HMDB0031261 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.45 CC/C=C\CC/C=C\CO HMDB0031262 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [1,1,0,0,0,0|1,0,0]=3 69 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.45 CCCCCCCOC=O HMDB0034459 [1,1,0,0,0,0|0,0,2]=4 73 B9R0.47 CCCCCC(=C)C(C)=O HMDB0037170 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [1,1,0,0,0,0|0,0,2]=4 76 B9R0.48 CCOC(=O)CCC(C)=O HMDB0040433 [1,1,0,0,0,0|1,0,0]=3 77 B11R0.6 CC(C)CCCC(C)OC(C)=O HMDB0032070 [0,2,0,0,0,0|0,0,2]=4 78 B11R0.6 CC(CCC=C(C)C)OC(C)=O HMDB0030031 [0,2,0,0,0,0|0,0,2]=4 79 B11R0.6 CC(O)/C=C(\C)CCC=C(C)C HMDB0032238 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.45 CCCC(CCOC(C)=O)SC HMDB0032427 [0,2,0,0,0,0|0,0,2]=4 81 B11R0.147 CCCCC(S)CCOC(C)=O HMDB0032372 [0,2,0,0,0,0|0,0,2]=4 82 B11R0.30 CC(C)/C=C/CCCCC(O)=O HMDB0012183 [0,2,0,0,0,0|2,0,0]=4 83 B11R0.42 C/C=C/C=C/COC(=O)C(C)C HMDB0032313 [0,2,0,0,0,0|0,0,2]=4 84 B11R0.42 CC/C=C\CCOC(=O)C(C)=O HMDB0038276 [0,2,0,0,0,0|0,0,0]=2 85 B11R0.42 CC/C=C\CCOC(=O)C(C)C HMDB0040213 [0,2,0,0,0,0|0,0,0]=2 86 B11R0.42 CC/C=C\CCOC(=O)C(C)O HMDB0036213 [0,2,0,0,0,0|0,0,0]=2 87 B11R0.42 CCCCCCOC(=O)C(C)C HMDB0037849 [0,2,0,0,0,0|0,0,2]=4 88 B11R0.148 CC/C=C\CCCCOC(C)=O HMDB0029358 [0,2,0,0,0,0|0,0,0]=2 89 B11R0.148 CCC/C=C/CCCCC(O)=O HMDB0041012 [0,2,0,0,0,0|2,0,0]=4 90 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [0,2,0,0,0,0|2,0,0]=4 91 B11R0.148 CCCCC/C=C\COC(C)=O HMDB0031297 [0,2,0,0,0,0|0,0,2]=4 92 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [0,2,0,0,0,0|0,0,2]=4 93 B11R0.176 CCOC(=O)CCCSC(C)=O HMDB0032259 [0,2,0,0,0,0|0,1,1]=4 94 B11R0.77 CCCCCC(CC)OC(C)=O HMDB0040167 [0,2,0,0,0,0|0,0,2]=4 95 B11R0.77 CCCCCC(OC(C)=O)C=C HMDB0032452 [0,2,0,0,0,0|0,0,2]=4 96 B11R0.4 CC/C=C\CCOC(=O)/C=C/C HMDB0032319 [0,2,0,0,0,0|0,0,0]=2 97 B11R0.4 CCC/C=C/COC(=O)CCC HMDB0034581 [0,2,0,0,0,0|0,0,2]=4 98 B11R0.4 CCCC(=O)OC/C=C/C=C/C HMDB0032312 [0,2,0,0,0,0|0,0,2]=4 99 B11R0.4 CCCC(=O)OCC/C=C\CC HMDB0033377 [0,2,0,0,0,0|0,0,0]=2 100 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,2,0,0,0,0|0,0,2]=4 101 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,2,0,0,0,0|0,0,2]=4 102 B11R0.4 CCOC(C)OCC/C=C/CC HMDB0038783 [0,2,0,0,0,0|0,0,2]=4 103 B9R1.8 O=COC1CCCCC1 HMDB0031351 [1,0,0,1,0,0|0,0,2]=4 104 B9R1.2 COC1=CC(=O)OCC1 HMDB0033517 [1,0,0,1,0,0|1,0,1]=4 105 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [0,1,0,1,0,0|0,0,2]=4 106 B11R1.1 CCCCC1COC(=O)CO1 HMDB0037147 [0,1,0,1,0,0|0,0,2]=4 107 B11R1.25 CCC(=O)OCC1CCCO1 HMDB0031177 [0,1,0,1,0,0|1,0,1]=4 108 B11R1.40 CCC(=O)OC1CCCCC1 HMDB0036222 [0,1,0,1,0,0|0,0,2]=4