0 B12R1.7 CCCCCCC1OCC(C)O1 HMDB0032302 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [1,0,0,0,0,0|0,0,0]=1 2 B11R1.27 CCCCCC1OC(=O)C=C1 HMDB0032442 [1,0,0,0,0,0|0,0,2]=3 3 B13R1.27 CCCCCCCC1OCC(C)O1 HMDB0032448 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.191 CCCCCCC1OC(C)C(C)O1 HMDB0032325 [0,1,0,0,0,0|2,0,1]=4 5 B11R0.2 CCCCCCC(O)CC(O)=O HMDB0031513 [0,0,1,0,0,0|3,0,0]=4 6 B11R0.40 CCCCCC/C=C\C(=O)OC HMDB0040194 [0,0,1,0,0,0|2,0,1]=4 7 B11R0.40 CCCCCCC#CC(=O)OC HMDB0031273 [0,0,1,0,0,0|2,0,1]=4 8 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [0,0,1,0,0,0|2,0,0]=3 9 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [0,0,1,0,0,0|0,0,2]=3 10 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [0,0,1,0,0,0|0,0,2]=3 11 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [0,0,1,0,0,0|0,0,2]=3 12 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [0,0,1,0,0,0|0,0,2]=3 13 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [0,0,1,0,0,0|1,0,1]=3 14 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [0,0,1,0,0,0|0,0,0]=1 15 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [0,0,1,0,0,0|2,0,0]=3 16 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [0,0,1,0,0,0|0,0,2]=3 17 B10R0.4 CCCC/C=C/COC(C)=O HMDB0032307 [1,0,1,0,0,0|0,0,2]=4 18 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [1,0,1,0,0,0|0,0,2]=4 19 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,0,1,0,0,0|1,0,0]=3 20 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,0,1,0,0,0|0,0,0]=2 21 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,0,1,0,0,0|0,0,0]=2 22 B10R0.4 NCCCNCCCC(O)=O HMDB0006009 [1,0,1,0,0,0|2,0,0]=4 23 B10R0.4 [NH3+]CCCCNCCC(O)=O HMDB0006078 [1,0,1,0,0,0|2,0,0]=4 24 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [1,0,1,0,0,0|0,0,2]=4 25 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [1,0,1,0,0,0|2,0,0]=4 26 B10R0.71 CCCCCCCCCC=C HMDB0029551 [1,0,1,0,0,0|1,0,0]=3 27 B10R0.71 CCCCCCCCCC=O HMDB0011623 [1,0,1,0,0,0|0,0,0]=2 28 B10R0.71 CCCCCCCCCCC HMDB0031445 [1,0,1,0,0,0|1,0,1]=4 29 B10R0.71 CCCCCCCCCCO HMDB0011624 [1,0,1,0,0,0|0,0,1]=3 30 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,0,1,0,0,0|0,0,0]=2 31 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [1,0,1,0,0,0|1,0,0]=3 32 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [1,0,1,0,0,0|2,0,0]=4 33 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [1,0,1,0,0,0|0,0,2]=4 34 B10R0.91 CCCCCC(O)/C=C/C=O HMDB0004362 [1,0,1,0,0,0|0,0,2]=4 35 B10R0.24 CCCCCC(CC)OC=O HMDB0032454 [1,0,1,0,0,0|0,0,0]=2 36 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [1,0,1,0,0,0|1,0,1]=4 37 B12R0.241 COC(=O)CCCC(C)OC(C)=O HMDB0032387 [0,1,1,0,0,0|1,0,1]=4 38 B12R0.1 CCCCCC/C=C\C(=O)OCC HMDB0031272 [0,1,1,0,0,0|1,0,1]=4 39 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,1,1,0,0,0|1,0,0]=3 40 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,1,1,0,0,0|0,0,0]=2 41 B12R0.248 CC/C=C\CCCCOC(=O)CC HMDB0038906 [0,1,1,0,0,0|0,0,1]=3 42 B12R0.248 CCCC/C=C\CCOC(=O)CC HMDB0032453 [0,1,1,0,0,0|0,0,1]=3 43 B12R0.248 CCCCCCC/C=C/C(=O)OC HMDB0032396 [0,1,1,0,0,0|2,0,0]=4 44 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,1,1,0,0,0|2,0,0]=4 45 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [0,1,1,0,0,0|0,0,0]=2 46 B12R0.251 CCCCCCCCC(=O)C(C)=O HMDB0031843 [0,1,1,0,0,0|1,0,1]=4 47 B12R0.111 CCCCCCC(CO)CCCC HMDB0041288 [0,1,1,0,0,0|1,0,1]=4 48 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [0,1,1,0,0,0|1,0,0]=3 49 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [0,1,1,0,0,0|0,0,0]=2 50 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [0,1,1,0,0,0|1,0,0]=3 51 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [0,1,1,0,0,0|0,0,1]=3 52 B12R0.268 CC(C)CCCCCCCC(O)=O HMDB0034456 [0,1,1,0,0,0|0,0,0]=2 53 B12R0.268 OC(=O)CCCCCCCC(O)=O HMDB0000784 [0,1,1,0,0,0|1,0,1]=4 54 B14R1.122 CCCCC/C=C/CC1CCC(=O)O1 HMDB0030867 [0,2,0,0,0,0|0,0,0]=2 55 B14R1.122 CCCCC/C=C\CC1CCC(=O)O1 HMDB0032331 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.1410 CCCCCC1OC1/C=C/C=O HMDB0013105 [0,0,1,1,0,0|0,0,2]=4 57 B12R1.252 CC(=O)OCCC1CCCCC1 HMDB0031362 [0,0,1,1,0,0|2,0,0]=4 58 B10R0.75 CCCCCCC(N)C(O)=O HMDB0000991 [0,0,1,0,1,0|2,0,0]=4 59 B10R0.75 CCCCCCC(O)C(O)=O HMDB0000711 [0,0,1,0,1,0|2,0,0]=4 60 B10R0.75 CCCCCC[C@@H](O)C(O)=O HMDB0002264 [0,0,1,0,1,0|2,0,0]=4