Mrv1652304052010322D 71 70 0 0 1 0 999 V2000 12.3784 -7.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9938 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1559 -7.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4695 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8100 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6757 -6.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2911 0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9884 -7.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4973 -6.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7668 1.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6425 -6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9729 -5.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5883 1.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8209 -6.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7945 -5.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0640 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4749 -5.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2702 -5.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7181 2.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6533 -5.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0918 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8965 2.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3074 -4.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5674 -4.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5505 3.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3890 -4.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7290 3.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8647 -4.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6863 -4.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2533 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1619 -3.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4317 3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9835 -3.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9560 2.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4592 -2.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4858 -4.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1344 2.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2808 -2.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1399 -3.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6588 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7564 -2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3183 -3.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8372 1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5780 -2.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9724 -3.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3615 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0537 -1.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1508 -2.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5399 1.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8753 -1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8048 -2.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0643 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3509 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8157 -1.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9454 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4698 -0.5538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.9832 -2.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2427 0.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1725 -1.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5076 -2.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8968 1.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5185 -1.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6373 -1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7670 0.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6482 -0.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.8856 1.9927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.1937 3.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.0262 4.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3830 4.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2914 -0.6287 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 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 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 1 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 57 71 1 1 0 0 0 M END > BMDB0097940 > bmdb > [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,57H,4-16,18-19,21-25,27,29-56H2,1-3H3/b20-17-,28-26-/t57-/m0/s1 > UAHXDSGAJUWANV-SEUCEGGKSA-N > C60H112O6 > 929.55 > 928.845891326 > 3 > 178 > 124.50617370634775 > 0 > 0 > 0 > 0 > (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl docosanoate > 10.77 > 22.201422356000002 > -8.06 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 284.9325 > 57 > 0 > 8.08e-06 g/l > (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl docosanoate > 0 > BMDB0097940 > TG(15:0/22:0/20:2n6) $$$$