Mrv1652304052008492D 105104 0 0 0 0 999 V2000 11.5802 -12.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2524 -11.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4328 -11.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9411 -12.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7441 -10.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5637 -11.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4163 -10.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5968 -10.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1050 -10.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2689 -9.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7607 -8.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4494 -9.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1216 -8.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6133 -7.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3020 -8.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9742 -7.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8103 -9.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1381 -9.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9576 -9.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6464 -10.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -10.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9742 -11.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4825 -11.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8103 -12.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6629 -11.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1712 -12.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3351 -11.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5155 -10.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0238 -11.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1877 -10.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 -10.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6794 -9.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3516 -8.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8433 -8.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5155 -7.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6629 -8.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -7.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -6.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0073 -6.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6794 -5.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8599 -5.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 -6.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 -5.0959 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 3.3847 -4.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8764 -3.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 -4.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2373 -3.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 -4.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 -4.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -3.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7621 -5.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2704 -6.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0899 -6.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -6.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -7.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 -6.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 -7.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5492 -5.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -5.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 -4.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3853 -4.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 -3.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2048 -4.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5326 -3.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 -3.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -2.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 -4.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 -4.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9913 -3.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 -4.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9748 -4.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 -5.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3191 -6.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3185 -6.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1381 -6.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4659 -6.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6298 -5.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4494 -5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9411 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7607 -5.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0885 -5.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2524 -4.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0720 -4.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9246 -3.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4163 -3.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2359 -3.1086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0885 -2.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5802 -1.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2689 -2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9411 -1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1216 -1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4328 -0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1050 0.0143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2524 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7441 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4163 0.5821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5637 -0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0554 0.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8915 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7111 -1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0389 -1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8584 -1.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1863 -2.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 4 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 4 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 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 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 2 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 2 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 74 75 1 0 0 0 0 38 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 77 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 89 90 1 0 0 0 0 89 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 94 2 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97 99 2 0 0 0 0 99100 1 0 0 0 0 99101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 M END > BMDB0097029 > bmdb > [H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OCC(COC(=O)CC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,49-54,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17?,21-18-,28-25-,29-26-,30-27-,36-33-,37-34?,43-40-,44-41-,45-42-,52-49-,53-50-,54-51- > BIMRUUBGKLOKIW-FUOSNCEHSA-N > C67H98O6 > 999.515 > 998.736340876 > 3 > 171 > 123.83971719241426 > 0 > 0 > 0 > 0 > 3-[(4Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (4Z,7Z,13Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.11 > 20.246499817666667 > -7.81 > 0 > 0 > 0 > -6.568201538186382 > 78.9 > 332.77189999999985 > 50 > 0 > 1.56e-05 g/l > 3-[(4Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (4Z,7Z,13Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0097029 > TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$