TG(18:3(6Z,9Z,12Z)/20:0/18:3(6Z,9Z,12Z)) Mrv1652303302021102D 66 65 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 19.0336 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3195 -4.9578 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 16.7804 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0662 -4.9578 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 14.5271 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8130 -4.9578 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 10.9565 -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 12.4344 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7203 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2921 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5779 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8638 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1497 -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 16.1501 -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 48 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 2 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 1 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 1 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 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 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 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 M END > CDB002072 > CDB > [H]C(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC > InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,30-31,36-37,39-40,56H,4-16,19,22-25,28-29,32-35,38,41-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,39-36-,40-37- > BALRNONMWCYHCH-FBHWXLEPSA-N > C59H102O6 > 907.4376 > 906.767640996 > 3 > 167 > 117.61257594184477 > 0 > 0 > 0 > 0 > 1,3-bis[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl icosanoate > 10.79 > 20.30916706433333 > -8.06 > 0 > 0 > 0 > -6.565869254207308 > 78.9 > 284.7979 > 52 > 0 > 7.89e-06 g/l > 1,3-bis[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl icosanoate > 0 > CDB002072 > TG(18:3(6Z,9Z,12Z)/20:0/18:3(6Z,9Z,12Z)) $$$$