Mrv1652304052017532D 74 73 0 0 0 0 999 V2000 21.5365 20.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7187 20.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 21.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2155 20.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3977 20.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8944 19.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0767 19.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5734 19.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7557 19.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2524 18.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4346 18.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9314 18.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1136 18.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6104 17.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7926 17.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2893 17.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4716 17.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9683 16.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1506 16.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6473 15.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8295 16.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3263 15.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5085 15.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0053 14.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6843 14.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0397 21.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8575 21.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3607 22.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1785 21.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6818 22.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3672 23.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4995 22.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0028 23.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8206 23.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3238 23.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0093 24.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5125 25.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1980 25.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3802 26.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0657 26.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2479 26.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7447 26.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9269 26.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4237 25.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7382 24.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2349 24.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4172 24.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1026 25.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6059 25.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2913 26.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7946 27.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4801 27.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1720 20.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6688 20.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8510 20.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9833 19.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4801 18.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7946 17.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2913 17.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6059 16.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1026 15.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4172 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9139 14.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2284 13.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0462 13.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3607 12.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1785 12.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6818 13.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4995 13.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0028 13.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8206 13.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3238 14.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1416 14.2412 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 1 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 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 28 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 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 1 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 73 74 1 0 0 0 0 M END > BMDB0101564 > bmdb > CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCCC > InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29-30,35,37,39,42,45,51,54,65H,4-16,18-19,22-23,25,27-28,31-34,36,38,40-41,43-44,46-50,52-53,55-64H2,1-3H3/b20-17-,24-21-,29-26-,37-35-,39-30-,45-42-,54-51- > YLBGMKUZWCVMOY-WXUYRIMISA-N > C68H118O6 > 1031.6609 > 1030.892841508 > 3 > 192 > 136.21508544717642 > 0 > 0 > 0 > 0 > 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propyl tetracosanoate > 10.97 > 23.948363392666664 > -8.18 > 0 > 0 > 0 > -6.567013928598492 > 78.9 > 327.32349999999997 > 60 > 0 > 6.76e-06 g/l > 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propyl tetracosanoate > 0 > BMDB0101564 > TG(24:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$