1-(9Z,12Z,15Z-octadecatrienoyl)-2-(13Z-docosenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol TG(18:3(9Z,12Z,15Z)/22:1(13Z)/18:3(6Z,9Z,12Z)) Mrv1652303302021242D 68 67 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 17.7162 -4.9578 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 15.4630 -4.9578 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 13.2097 -4.9578 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 10.9565 -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 15.2909 -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 13.8627 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1485 -8.5575 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 11.6094 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8953 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1812 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4671 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7529 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3247 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6106 -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 17.6892 -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 16.1501 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4360 -6.6225 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 13.8969 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1827 -6.6225 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 11.6436 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9295 -6.6225 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 8.0730 -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 27 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 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 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 1 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 2 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 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 M END > CDB002261 > CDB > [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,32-33,39,42,58H,4-7,9-10,12-16,19,22-24,29-31,34-38,40-41,43-57H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,32-26-,33-27-,42-39-/t58-/m0/s1 > PZYJLTAJBNTJLC-WMWPGTSMSA-N > C61H104O6 > 933.497 > 932.783291069 > 3 > 171 > 120.63554452022387 > 0 > 0 > 0 > 0 > (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (13Z)-docos-13-enoate > 10.74 > 20.836382737666668 > -8.08 > 0 > 0 > 0 > -6.565868619786543 > 78.9 > 295.1165 > 53 > 0 > 7.68e-06 g/l > (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (13Z)-docos-13-enoate > 0 > CDB002261 > TG(18:3(9Z,12Z,15Z)/22:1(13Z)/18:3(6Z,9Z,12Z)) $$$$