TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Mrv1652304062010402D 72 71 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 20.4618 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7477 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0336 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2086 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4945 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7804 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9554 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2412 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5271 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7021 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9880 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2739 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4489 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7347 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0206 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3065 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5924 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8783 -4.9578 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 15.1800 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4659 -8.1444 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 12.9268 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2127 -8.1444 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 10.6735 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9594 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2453 -8.5575 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 17.5783 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8642 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1501 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3251 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6110 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8969 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0719 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3577 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6436 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8186 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1045 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3904 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5654 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7089 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9948 -6.6225 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 31 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 2 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 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 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 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 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 2 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 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 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 M END > BMDB0108784 > bmdb > [H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(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/C\C=C/CC > InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-8,10-11,13-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49- > UPVISHBUYMKHRG-RJGVUJFSSA-N > C65H100O6 > 977.4859 > 976.751990932 > 3 > 171 > 120.27127072235635 > 0 > 0 > 0 > 0 > 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 9.63 > 20.443127457666666 > -8.08 > 0 > 0 > 0 > -6.568162903553922 > 78.9 > 320.2200999999999 > 51 > 0 > 8.07e-06 g/l > 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 0 > BMDB0108784 > TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$