Mrv1652304062003452D 73 72 0 0 0 0 999 V2000 2.4750 -11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -12.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0125 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2500 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6625 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -12.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -10.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 1 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 28 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 M END > BMDB0106001 > bmdb > CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,38,40-41,43,47,50,64H,4-7,9-10,12-16,19,22-24,31-37,39,42,44-46,48-49,51-63H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,41-38-,43-40-,50-47- > JIZMHPYDRSCMAB-SQZDDKCUSA-N > C67H112O6 > 1013.6026 > 1012.845891316 > 3 > 185 > 130.78500510926517 > 0 > 0 > 0 > 0 > 3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (15Z)-tetracos-15-enoate > 10.76 > 22.779951414333336 > -8.27 > 0 > 0 > 0 > -6.565907583683173 > 78.9 > 324.9556999999999 > 57 > 0 > 5.44e-06 g/l > 3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (15Z)-tetracos-15-enoate > 0 > BMDB0106001 > TG(24:1(15Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)) $$$$