Mrv1652304052016562D 78 77 0 0 1 0 999 V2000 11.1018 -6.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1782 -17.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5346 -7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5511 -7.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7289 -16.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9091 -6.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9050 -16.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7330 -6.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8244 -7.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5305 -17.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1075 -5.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6482 -7.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9799 -17.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9313 -5.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0976 -8.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6054 -18.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3807 -6.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9215 -8.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0548 -19.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0062 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3709 -9.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8787 -19.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1947 -9.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3280 -19.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6441 -9.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1519 -19.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4680 -9.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9174 -10.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5264 -19.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7412 -10.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1906 -11.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3503 -19.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0145 -11.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7247 -18.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4556 -7.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4639 -11.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2754 -17.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0811 -8.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2877 -11.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6498 -16.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5305 -9.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7371 -12.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2005 -16.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1560 -9.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5610 -12.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3766 -16.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6054 -10.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0104 -13.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9272 -15.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2309 -11.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8342 -12.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1034 -15.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7552 -13.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5569 -14.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3807 -14.2796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.6803 -12.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2836 -13.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6540 -14.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5042 -12.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9091 -14.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0285 -14.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3058 -12.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1075 -13.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8301 -14.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4556 -15.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7066 -17.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3058 -4.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7815 -18.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2046 -6.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6803 -19.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9536 -20.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.6013 -20.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7996 -19.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5486 -18.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.4737 -16.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5749 -15.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9313 -13.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 2 0 0 0 0 19 16 1 0 0 0 0 20 17 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 28 1 0 0 0 0 30 27 1 0 0 0 0 31 29 1 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 34 32 1 0 0 0 0 35 33 2 0 0 0 0 36 21 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 2 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 50 1 0 0 0 0 56 54 1 0 0 0 0 56 55 1 0 0 0 0 57 51 1 0 0 0 0 58 52 1 0 0 0 0 59 53 1 0 0 0 0 60 57 2 0 0 0 0 61 58 2 0 0 0 0 62 59 2 0 0 0 0 63 54 1 0 0 0 0 63 57 1 0 0 0 0 64 55 1 0 0 0 0 64 58 1 0 0 0 0 56 65 1 6 0 0 0 65 59 1 0 0 0 0 66 8 1 0 0 0 0 67 11 1 0 0 0 0 68 15 1 0 0 0 0 69 17 1 0 0 0 0 70 18 1 0 0 0 0 71 20 1 0 0 0 0 72 25 1 0 0 0 0 73 27 1 0 0 0 0 74 33 1 0 0 0 0 75 35 1 0 0 0 0 76 41 1 0 0 0 0 77 44 1 0 0 0 0 56 78 1 6 0 0 0 M END > BMDB0101096 > bmdb > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCC > InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,33,35,41,44,56H,4-7,9-10,12-14,16,19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-33-,44-41-/t56-/m1/s1 > WYXOGHYUVBJXHY-MMPZXVEESA-N > C59H102O6 > 907.459 > 906.767641004 > 3 > 167 > 118.28036972584655 > 0 > 0 > 0 > 0 > (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl docosanoate > 10.82 > 20.30916706433333 > -8.06 > 0 > 0 > 0 > -6.565906416373769 > 78.9 > 284.7979 > 52 > 0 > 7.90e-06 g/l > (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl docosanoate > 0 > BMDB0101096 > TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)) $$$$