TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/20:4(8Z,11Z,14Z,17Z)) Mrv1652304062012062D 70 69 0 0 0 0 999 V2000 24.1437 -6.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1826 -7.0350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2214 -6.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1436 -5.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2601 -7.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4325 -8.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9378 -8.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -4.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7151 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0010 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2868 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5727 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8586 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1445 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4304 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6054 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8912 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1771 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3521 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6380 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9239 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0989 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6706 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8456 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1315 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7180 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7180 -9.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0039 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2898 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5756 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8615 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1474 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4333 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7192 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0050 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2909 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5768 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7518 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0377 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3235 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4985 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7844 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0703 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3562 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6421 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9279 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5457 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5457 -5.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8316 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1175 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4033 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6892 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9751 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2610 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5469 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7219 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0077 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2936 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4686 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7545 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0404 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2154 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5012 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7871 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9621 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2480 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 2 7 1 1 0 0 0 50 5 1 0 0 0 0 29 6 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 8 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 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 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 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 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 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 2 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 M END > BMDB0109286 > bmdb > [H]C(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,34-35,37-38,60H,4-6,9,12-15,22-24,31-33,36,39-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35- > ZWTWQURYSLMNII-AYAHJNKDSA-N > C63H102O6 > 955.503 > 954.767641004 > 3 > 171 > 120.76924816813167 > 0 > 0 > 0 > 0 > 2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate > 10.29 > 20.63975509766667 > -8.28 > 0 > 0 > 0 > -6.56586798539838 > 78.9 > 307.6682999999999 > 52 > 0 > 4.96e-06 g/l > 2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate > 0 > BMDB0109286 > TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/20:4(8Z,11Z,14Z,17Z)) $$$$