Mrv1652304052011052D 73 72 0 0 1 0 999 V2000 11.0777 6.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8825 14.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3309 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5534 7.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7041 14.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9850 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0500 13.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1634 7.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8507 7.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8716 13.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8175 7.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6723 7.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2175 13.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9959 8.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1479 8.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0391 13.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6499 8.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9695 8.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5148 13.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8283 8.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4452 9.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1688 14.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4824 9.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2668 8.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6445 15.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7424 9.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2986 15.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5640 9.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0397 10.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4770 15.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8613 10.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3369 10.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1310 16.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1585 10.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3094 16.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6608 9.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6342 11.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8338 16.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3149 10.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4558 11.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0122 16.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4933 10.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9314 12.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5365 15.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1474 11.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7530 11.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7149 15.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3258 11.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2287 12.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2393 14.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9798 12.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0503 12.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4177 15.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9907 12.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8232 13.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6448 13.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.1582 12.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5259 13.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9420 14.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6826 11.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1800 13.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2880 13.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8123 12.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3475 13.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1204 14.4097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3851 12.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3364 13.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4661 15.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7742 16.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6067 17.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9635 17.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1691 13.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 30 29 1 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 35 33 1 0 0 0 0 36 34 2 0 0 0 0 37 24 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 57 55 1 0 0 0 0 57 56 1 0 0 0 0 58 52 1 0 0 0 0 59 53 1 0 0 0 0 60 54 1 0 0 0 0 61 58 2 0 0 0 0 62 59 2 0 0 0 0 63 60 2 0 0 0 0 64 55 1 0 0 0 0 64 58 1 0 0 0 0 65 56 1 0 0 0 0 65 59 1 0 0 0 0 57 66 1 6 0 0 0 66 60 1 0 0 0 0 67 17 1 0 0 0 0 68 20 1 0 0 0 0 69 26 1 0 0 0 0 70 28 1 0 0 0 0 71 34 1 0 0 0 0 72 36 1 0 0 0 0 57 73 1 6 0 0 0 M END > BMDB0098224 > bmdb > [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,34,36,57H,4-16,18-19,21-25,27,29-33,35,37-56H2,1-3H3/b20-17-,28-26-,36-34-/t57-/m0/s1 > VMVNTSRZEMTQFB-ZPUOMWJLSA-N > C60H110O6 > 927.534 > 926.830241262 > 3 > 176 > 124.16351875489917 > 0 > 0 > 0 > 0 > (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propyl docosanoate > 10.84 > 21.839500699333332 > -8.15 > 0 > 0 > 0 > -6.565867985382053 > 78.9 > 286.0491 > 56 > 0 > 6.61e-06 g/l > (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propyl docosanoate > 0 > BMDB0098224 > TG(15:0/20:3n6/22:0) $$$$