0 B13R0.54 CCCCC/C=C\CCCOC(C)=O HMDB0032214 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.54 CCCCCC/C=C\CCCC(O)=O HMDB0000529 [0,0,0,0,0,0|0,0,2]=2 2 B13R0.54 CCCCCCCCC/C=C/C(O)=O HMDB0010729 [0,0,0,0,0,0|0,0,2]=2 3 B13R0.54 CCCCCCCCCCCC(C)=O HMDB0034148 [0,0,0,0,0,0|1,0,0]=1 4 B13R0.54 CCCCCCCCCCCC(O)=O HMDB0000638 [0,0,0,0,0,0|0,0,0]=0 5 B13R0.54 CCCCCCCCCCOC(C)=O HMDB0040166 [0,0,0,0,0,0|2,0,0]=2 6 B13R0.54 OC(=O)CCCCCCCCCC=C HMDB0032248 [0,0,0,0,0,0|0,0,2]=2 7 B12R0.5 CCCCCCC/C=C/CCC=C HMDB0041081 [1,0,0,0,0,0|1,0,2]=4 8 B12R0.5 CCCCCCCCC/C=C/C=O HMDB0031020 [1,0,0,0,0,0|0,0,2]=3 9 B12R0.5 CCCCCCCCCCCC=C HMDB0030930 [1,0,0,0,0,0|1,0,0]=2 10 B12R0.5 CCCCCCCCCCCC=O HMDB0033933 [1,0,0,0,0,0|0,0,0]=1 11 B12R0.5 CCCCCCCCCCCCO HMDB0011626 [1,0,0,0,0,0|0,0,1]=2 12 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [1,0,0,0,0,0|1,0,0]=2 13 B12R0.234 CCCCCCCCCCC(C)C HMDB0031287 [1,0,0,0,0,0|2,0,1]=4 14 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [1,0,0,0,0,0|0,0,0]=1 15 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [1,0,0,0,0,0|2,0,0]=3 16 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [1,0,0,0,0,0|0,0,2]=3 17 B12R0.234 OC/C=C/CCCCCCC(O)=O HMDB0039533 [1,0,0,0,0,0|1,0,2]=4 18 B14R0.2 CCCCCCCC(O)CCCC(O)=O HMDB0040169 [0,1,0,0,0,0|0,0,0]=1 19 B14R0.337 CCCCCCCCC/C=C/C(=O)OC HMDB0031028 [0,1,0,0,0,0|0,0,2]=3 20 B14R0.337 CCCCCCCCCCCC(=O)OC HMDB0031018 [0,1,0,0,0,0|0,0,0]=1 21 B14R0.337 CCCCCCCCCCCC(C)CC HMDB0030300 [0,1,0,0,0,0|2,0,1]=4 22 B14R0.337 CCCCCCCCCCOC(=O)CC HMDB0037311 [0,1,0,0,0,0|2,0,0]=3 23 B14R0.344 CCCCCCCCC(C)CCC(C)C HMDB0037825 [0,1,0,0,0,0|2,0,1]=4 24 B14R0.391 CCCCCCCCCC(=O)CC(O)=O HMDB0010727 [0,1,0,0,0,0|0,0,1]=2 25 B14R0.391 CCCCCCCCCC(=O)CC([O-])=O HMDB0039847 [0,1,0,0,0,0|0,0,2]=3 26 B14R0.391 CCCCCCCCCC(O)CC(O)=O HMDB0000387 [0,1,0,0,0,0|0,0,0]=1 27 B14R0.391 [C@@H](O)(CCCCCCCCC)CC(O)=O HMDB0010728 [0,1,0,0,0,0|0,0,0]=1 28 B14R0.394 CC(=O)OCCCCCCCCCC=C HMDB0031017 [0,1,0,0,0,0|1,0,2]=4 29 B14R0.394 CCCCCCCCCCCCC(C)=O HMDB0030924 [0,1,0,0,0,0|1,0,0]=2 30 B14R0.394 CCCCCCCCCCCCC(C)C HMDB0041501 [0,1,0,0,0,0|2,0,1]=4 31 B14R0.394 CCCCCCCCCCCCC(O)=O HMDB0000910 [0,1,0,0,0,0|0,0,0]=1 32 B14R0.394 OC(=O)CCCCCCCC/C=C/C=O HMDB0037326 [0,1,0,0,0,0|0,0,3]=4 33 B14R0.394 OCCCCCCCCCCCC(O)=O HMDB0002059 [0,1,0,0,0,0|0,0,0]=1 34 B14R1.26 CCCCCCCC1CC=CC(=O)O1 HMDB0031030 [0,0,0,1,0,0|0,0,2]=3 35 B14R1.26 CCCCCCCC1CCCC(=O)O1 HMDB0037742 [0,0,0,1,0,0|0,0,0]=1 36 B14R1.122 CCCCC/C=C/CC1CCC(=O)O1 HMDB0030867 [0,0,0,1,0,0|0,0,2]=3 37 B14R1.122 CCCCC/C=C\CC1CCC(=O)O1 HMDB0032331 [0,0,0,1,0,0|0,0,2]=3 38 B14R1.122 CCCCCCCCC1CCC(=O)O1 HMDB0031683 [0,0,0,1,0,0|0,0,0]=1 39 B14R1.122 CCCCCCCCC1OCC(C)O1 HMDB0032440 [0,0,0,1,0,0|2,0,1]=4 40 B14R1.1252 CCCCCCC1CCCCC(=O)O1 HMDB0038895 [0,0,0,1,0,0|0,0,0]=1 41 B14R1.4408 O=C1CCCCCCC/C=C/CCO1 HMDB0032901 [0,0,0,1,0,0|0,0,2]=3 42 B11R0.3 C/C=C/CCCCCCCC=O HMDB0037807 [2,0,0,0,0,0|0,0,2]=4 43 B11R0.3 C=CCCCCCCCCC=O HMDB0031128 [2,0,0,0,0,0|0,0,2]=4 44 B11R0.3 CCCCCCCC/C=C/C=O HMDB0040247 [2,0,0,0,0,0|0,0,2]=4 45 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [2,0,0,0,0,0|0,0,2]=4 46 B11R0.3 CCCCCCCCCCC=O HMDB0030941 [2,0,0,0,0,0|0,0,0]=2 47 B11R0.3 CCCCCCCCCCCC HMDB0031444 [2,0,0,0,0,0|0,0,1]=3 48 B11R0.3 CCCCCCCCCCCO HMDB0013113 [2,0,0,0,0,0|0,0,0]=2 49 B11R0.3 OCCCCCCCCCC=C HMDB0031016 [2,0,0,0,0,0|0,0,2]=4 50 B11R0.148 CCC/C=C/CCCCC(O)=O HMDB0041012 [2,0,0,0,0,0|0,0,2]=4 51 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [2,0,0,0,0,0|0,0,2]=4 52 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [2,0,0,0,0,0|0,0,2]=4 53 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [2,0,0,0,0,0|0,0,2]=4 54 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [2,0,0,0,0,0|0,0,2]=4 55 B11R0.148 CCCCCCCCCC(C)=O HMDB0033713 [2,0,0,0,0,0|1,0,0]=3 56 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [2,0,0,0,0,0|1,0,1]=4 57 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [2,0,0,0,0,0|0,0,0]=2 58 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [2,0,0,0,0,0|2,0,0]=4 59 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [2,0,0,0,0,0|0,0,2]=4 60 B13R0.336 CCCCCCCC/C=C/CCC=O HMDB0032247 [1,1,0,0,0,0|0,0,1]=3 61 B13R0.336 CCCCCCCCCC/C=C/C=O HMDB0037275 [1,1,0,0,0,0|0,0,1]=3 62 B13R0.336 CCCCCCCCCCCCC=O HMDB0030928 [1,1,0,0,0,0|0,0,0]=2 63 B13R0.336 CCCCCCCCCCCCCO HMDB0013316 [1,1,0,0,0,0|0,0,1]=3 64 B13R0.1 CCCCCCC(O)CCOC(C)=O HMDB0032443 [1,1,0,0,0,0|2,0,0]=4 65 B13R0.188 NCSCCC(S)CCCCC(O)=O HMDB0013639 [1,1,0,0,0,0|2,0,0]=4 66 B13R0.202 OC(CCCCCCCC(O)=O)C=C HMDB0032662 [1,1,0,0,0,0|0,0,2]=4 67 B15R0.247 CCC(O)/C=C/CCCCCCCC(O)=O HMDB0035881 [0,2,0,0,0,0|0,0,1]=3 68 B15R0.253 CCCCCCCCCCCC(OC)OC HMDB0032246 [0,2,0,0,0,0|0,0,2]=4 69 B15R0.366 CCCCCCCCC/C=C/C(=O)OCC HMDB0031029 [0,2,0,0,0,0|0,0,2]=4 70 B15R0.366 CCCCCCCCCCCC(=O)CC=O HMDB0034561 [0,2,0,0,0,0|0,0,1]=3 71 B15R0.366 CCCCCCCCCCCC(=O)OCC HMDB0033788 [0,2,0,0,0,0|0,0,0]=2 72 B15R0.366 CCCCCCCCCCOC(=O)CCC HMDB0037312 [0,2,0,0,0,0|2,0,0]=4 73 B15R0.164 CCCC/C=C\CCCCCCCC(O)=O HMDB0002000 [0,2,0,0,0,0|0,0,0]=2 74 B15R0.164 CCCCC/C=C\C/C=C/CCCC(O)=O HMDB0039129 [0,2,0,0,0,0|0,0,2]=4 75 B15R0.164 CCCCC/C=C\C/C=C\CCCC(O)=O HMDB0000560 [0,2,0,0,0,0|0,0,2]=4 76 B15R0.164 CCCCCCCC/C=C/CCCC(O)=O HMDB0000499 [0,2,0,0,0,0|0,0,0]=2 77 B15R0.164 CCCCCCCC/C=C\CCCC(O)=O HMDB0000521 [0,2,0,0,0,0|0,0,0]=2 78 B15R0.164 CCCCCCCCC/C=C\CCC(O)=O HMDB0005051 [0,2,0,0,0,0|0,0,0]=2 79 B15R0.164 CCCCCCCCCCC/C=C/C(O)=O HMDB0010732 [0,2,0,0,0,0|0,0,0]=2 80 B15R0.164 CCCCCCCCCCCCCC(C)=O HMDB0031081 [0,2,0,0,0,0|1,0,0]=3 81 B15R0.164 CCCCCCCCCCCCCC(O)=O HMDB0000806 [0,2,0,0,0,0|0,0,0]=2 82 B15R0.164 CCCCCCCCCCCCOC(C)=O HMDB0038969 [0,2,0,0,0,0|1,0,0]=3 83 B15R0.222 CC(C)CCCCCCCCCCC(O)=O HMDB0031072 [0,2,0,0,0,0|0,0,0]=2 84 B13R1.279 O=C1CCCCCCCCCCC1 HMDB0031341 [1,0,0,1,0,0|0,0,0]=2 85 B13R1.6 CC/C=C\CCC1CCCC(=O)O1 HMDB0037829 [1,0,0,1,0,0|0,0,2]=4 86 B13R1.6 CCCCCCC1CCCC(=O)O1 HMDB0036784 [1,0,0,1,0,0|0,0,0]=2 87 B13R1.6 CCCCCCC1COCC(=O)O1 HMDB0039582 [1,0,0,1,0,0|1,0,0]=3 88 B13R1.27 CCCCCCCC1CCC(=O)O1 HMDB0038311 [1,0,0,1,0,0|0,0,0]=2 89 B13R1.1882 CCCCCCC1CC1CC(O)=O HMDB0031087 [1,0,0,1,0,0|0,0,0]=2 90 B15R1.34 CCCCCCCCCC1OCC(C)O1 HMDB0032211 [0,1,0,1,0,0|1,0,1]=4 91 B15R1.6595 O=C1CCCCCCCCCCCCO1 HMDB0040451 [0,1,0,1,0,0|0,0,0]=2 92 B15R1.6595 O=C\1CCCCCCCCCCC/C=C1 HMDB0039884 [0,1,0,1,0,0|1,0,0]=3 93 B15R1.5365 CCCCCCCCC1CC(=O)CC1=O HMDB0037390 [0,1,0,1,0,0|1,0,1]=4 94 B15R1.3995 CC/C=C/CC1C(O)CCC1CC(O)=O HMDB0029388 [0,1,0,1,0,0|0,0,2]=4 95 B15R1.3995 CCCCCC1C(CC(O)=O)CCC1=O HMDB0033601 [0,1,0,1,0,0|0,0,1]=3 96 B15R2.1428 CCCCC1OC(=O)C2=CCCCC12 HMDB0034450 [0,0,0,2,0,0|0,0,2]=4 97 B15R2.1428 CCCCC1OC(=O)C2CCCCC12 HMDB0034903 [0,0,0,2,0,0|0,0,0]=2