Mrv1652304062002532D 71 70 0 0 0 0 999 V2000 3.3350 -12.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5128 -12.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -13.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 -11.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 -11.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 -11.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 -11.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -10.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -10.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 -9.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 -9.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 -8.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -8.6051 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 -4.5347 -7.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8871 -7.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4172 -6.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7696 -5.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5918 -5.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9442 -4.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7664 -4.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1188 -3.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9410 -3.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2934 -3.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 -13.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5096 -13.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 -14.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6842 -14.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 -15.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -15.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8587 -15.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2111 -15.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -15.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3857 -16.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2079 -16.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 -16.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -16.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9698 -15.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6174 -14.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0872 -14.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7349 -13.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9127 -13.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5603 -12.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7381 -12.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2682 -13.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 -13.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9762 -13.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3286 -14.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1508 -14.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9794 -12.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -12.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8048 -12.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 -11.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7445 -10.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2143 -10.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 -9.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 -8.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9794 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4492 -7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 -6.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 -6.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 -5.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3921 -4.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2143 -5.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6842 -4.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5064 -4.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8587 -5.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6810 -5.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -5.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5635 -6.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9159 -7.3845 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 2 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 1 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 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 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 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 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 26 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 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 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 M END > BMDB0105633 > bmdb > CCCCCCCC\C=C/CCCCCCCCCCCC(=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/C\C=C/CC > InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,45,48,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45- > PYXPOCDDSOGGQJ-JMPDUUROSA-N > C65H106O6 > 983.5335 > 982.798941124 > 3 > 177 > 125.20941415209862 > 0 > 0 > 0 > 0 > 3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (13Z)-docos-13-enoate > 10.45 > 21.52889242766667 > -8.33 > 0 > 0 > 0 > -6.565907583683173 > 78.9 > 316.8702999999998 > 54 > 0 > 4.59e-06 g/l > 3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (13Z)-docos-13-enoate > 0 > BMDB0105633 > TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) $$$$