0 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [0,0,0,0,0,0|0,0,2]=2 2 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [0,0,0,0,0,0|2,0,1]=3 3 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [0,0,0,0,0,0|0,0,4]=4 4 B11R0.3 CCCCCC/C=C/C=C/C=O HMDB0031359 [1,0,0,0,0,0|0,0,2]=3 5 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [1,0,0,0,0,0|0,0,1]=2 6 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [1,0,0,0,0,0|2,0,0]=3 7 B11R0.3 CCCCCCCCCCC=O HMDB0030941 [1,0,0,0,0,0|0,0,2]=3 8 B11R0.3 CCCCCCCCCCCO HMDB0013113 [1,0,0,0,0,0|0,0,3]=4 9 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [1,0,0,0,0,0|0,0,3]=4 10 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [1,0,0,0,0,0|0,0,3]=4 11 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [1,0,0,0,0,0|0,0,2]=3 12 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [1,0,0,0,0,0|0,0,0]=1 13 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [1,0,0,0,0,0|1,0,2]=4 14 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [1,0,0,0,0,0|0,0,1]=2 15 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [1,0,0,0,0,0|2,0,0]=3 16 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [1,0,0,0,0,0|0,0,3]=4 17 B13R0.1 CCCCCCC(O)CCOC(C)=O HMDB0032443 [0,1,0,0,0,0|2,0,1]=4 18 B13R0.54 CCCCCC/C=C\CCCC(O)=O HMDB0000529 [0,1,0,0,0,0|0,0,3]=4 19 B13R0.54 CCCCCCCCC/C=C/C(O)=O HMDB0010729 [0,1,0,0,0,0|0,0,0]=1 20 B13R0.54 CCCCCCCCCCCC(O)=O HMDB0000638 [0,1,0,0,0,0|0,0,2]=3 21 B13R0.54 CCCCCCCCCCOC(C)=O HMDB0040166 [0,1,0,0,0,0|1,0,2]=4 22 B13R0.54 OC(=O)CCCCCCCCCC=C HMDB0032248 [0,1,0,0,0,0|0,0,3]=4 23 B13R0.147 CCCCCCCCC#CC(=O)OC HMDB0030945 [0,1,0,0,0,0|0,0,2]=3 24 B13R0.154 CCCCCCCC(=O)NCC(O)=O HMDB0000832 [0,1,0,0,0,0|1,0,2]=4 25 B13R1.279 O=C1CCCCCCCCCCC1 HMDB0031341 [0,0,0,1,0,0|1,0,2]=4 26 B13R1.1882 CCCCCCC1CC1CC(O)=O HMDB0031087 [0,0,0,1,0,0|0,0,2]=3 27 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [2,0,0,0,0,0|0,0,0]=2 28 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [2,0,0,0,0,0|0,0,1]=3 29 B10R0.71 CCCCCCCCCC=C HMDB0029551 [2,0,0,0,0,0|0,0,1]=3 30 B10R0.71 CCCCCCCCCC=O HMDB0011623 [2,0,0,0,0,0|0,0,1]=3 31 B10R0.71 CCCCCCCCCCO HMDB0011624 [2,0,0,0,0,0|0,0,2]=4 32 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [2,0,0,0,0,0|0,0,0]=2 33 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [2,0,0,0,0,0|1,0,0]=3 34 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [2,0,0,0,0,0|0,0,0]=2 35 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [2,0,0,0,0,0|2,0,0]=4 36 B10R0.4 NCCCNCCCC(O)=O HMDB0006009 [2,0,0,0,0,0|2,0,0]=4 37 B10R0.4 [NH3+]CCCCNCCC(O)=O HMDB0006078 [2,0,0,0,0,0|2,0,0]=4 38 B12R0.5 CCCCC/C=C\CC/C=C/C=O HMDB0032531 [1,1,0,0,0,0|0,0,1]=3 39 B12R0.5 CCCCCCC/C=C/C=C/C=O HMDB0039590 [1,1,0,0,0,0|0,0,1]=3 40 B12R0.5 CCCCCCCCC/C=C/C=O HMDB0031020 [1,1,0,0,0,0|0,0,0]=2 41 B12R0.5 CCCCCCCCCCCC=O HMDB0033933 [1,1,0,0,0,0|0,0,2]=4 42 B12R0.248 CCCCCCCCCC(C)C=O HMDB0031734 [1,1,0,0,0,0|0,0,2]=4 43 B12R0.4 CCCCCC/C=C(/C)CC(O)=O HMDB0031062 [1,1,0,0,0,0|0,0,2]=4 44 B12R0.4 CCCCCCCC(=O)CC(O)=O HMDB0010724 [1,1,0,0,0,0|0,0,1]=3 45 B12R0.4 CCCCCCCC(=O)CC([O-])=O HMDB0039846 [1,1,0,0,0,0|0,0,2]=4 46 B12R0.4 CCCCCCCC(O)CC(O)=O HMDB0002203 [1,1,0,0,0,0|0,0,1]=3 47 B12R0.4 [C@@H](O)(CCCCCCC)CC(O)=O HMDB0010725 [1,1,0,0,0,0|0,0,1]=3 48 B12R0.184 CCC(C)CCCCCCC(O)=O HMDB0038237 [1,1,0,0,0,0|0,0,1]=3 49 B12R0.251 CCCCCCCCC(=O)C(C)=O HMDB0031843 [1,1,0,0,0,0|1,0,0]=3 50 B12R0.268 CC(C)CCCCCCCC(O)=O HMDB0034456 [1,1,0,0,0,0|0,0,1]=3 51 B14R0.2 CCCCCCCC(O)CCCC(O)=O HMDB0040169 [0,2,0,0,0,0|0,0,2]=4 52 B14R0.337 CCCCC/C=C\CC/C=C/C(=O)OC HMDB0031014 [0,2,0,0,0,0|0,0,1]=3 53 B14R0.337 CCCCCCCCC/C=C/C(=O)OC HMDB0031028 [0,2,0,0,0,0|0,0,0]=2 54 B14R0.337 CCCCCCCCCCCC(=O)OC HMDB0031018 [0,2,0,0,0,0|0,0,2]=4 55 B14R0.344 CCCCCCCCC(=O)NCC(O)=O HMDB0013279 [0,2,0,0,0,0|0,0,1]=3 56 B14R0.391 CCCCCCCCCC(=O)CC(O)=O HMDB0010727 [0,2,0,0,0,0|0,0,1]=3 57 B14R0.391 CCCCCCCCCC(=O)CC([O-])=O HMDB0039847 [0,2,0,0,0,0|0,0,2]=4 58 B14R0.391 CCCCCCCCCC(O)CC(O)=O HMDB0000387 [0,2,0,0,0,0|0,0,2]=4 59 B14R0.391 [C@@H](O)(CCCCCCCCC)CC(O)=O HMDB0010728 [0,2,0,0,0,0|0,0,2]=4 60 B14R0.394 CCCCCCCCCCCCC(O)=O HMDB0000910 [0,2,0,0,0,0|0,0,2]=4 61 B14R0.394 OCCCCCCCCCCCC(O)=O HMDB0002059 [0,2,0,0,0,0|0,0,2]=4 62 B14R0.393 CCCCCCCCCCC(=O)OCC HMDB0029552 [0,2,0,0,0,0|0,0,2]=4 63 B12R1.1410 CCCCCC1OC1/C=C/C=O HMDB0013105 [1,0,0,1,0,0|1,0,0]=3 64 B12R1.28 CCCCCC1=CC=CC(=O)O1 HMDB0031085 [1,0,0,1,0,0|0,0,2]=4 65 B12R1.252 CC(=O)OCCC1CCCCC1 HMDB0031362 [1,0,0,1,0,0|2,0,0]=4