Mrv1652304052011122D 73 72 0 0 1 0 999 V2000 20.2028 7.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 3.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 12.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5552 8.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 3.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8222 11.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0854 8.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5841 2.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4377 9.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7619 2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 10.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9679 10.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 10.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3203 10.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4698 2.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7619 10.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8505 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 10.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0282 11.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 9.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5584 12.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7362 12.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3838 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5616 11.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4666 1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2092 10.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2888 1.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3870 10.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 2.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0347 9.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 9.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4634 2.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2125 9.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 8.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8158 3.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8601 8.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 8.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 3.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0379 8.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 8.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6855 8.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4602 8.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8126 4.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8633 8.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 7.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1650 4.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5109 7.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0443 7.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1617 5.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5141 6.4811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7522 7.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9872 4.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6887 7.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1046 8.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 4.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2189 7.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2221 7.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3395 5.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3363 6.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1425 11.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2028 12.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9108 12.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 0.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2664 12.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 0.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6919 6.4133 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 2 0 0 0 0 20 17 1 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 2 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 16 1 0 0 0 0 68 19 1 0 0 0 0 69 25 1 0 0 0 0 70 26 1 0 0 0 0 71 27 1 0 0 0 0 72 28 1 0 0 0 0 57 73 1 1 0 0 0 M END > BMDB0098281 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C60H110O6/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/h16,19,25-28,57H,4-15,17-18,20-24,29-56H2,1-3H3/b19-16-,27-25-,28-26-/t57-/m0/s1 > XHKHEYJIXZVIKL-DMJNNAIESA-N > C60H110O6 > 927.534 > 926.830241262 > 3 > 176 > 123.2947325895183 > 0 > 0 > 0 > 0 > (2S)-1-[(11Z)-icos-11-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate > 10.81 > 21.839500699333332 > -8.16 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 286.0491 > 56 > 0 > 6.46e-06 g/l > (2S)-1-[(11Z)-icos-11-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate > 0 > BMDB0098281 > TG(15:0/22:2(13Z,16Z)/20:1(11Z)) $$$$