Mrv1652304052010532D 75 74 0 0 1 0 999 V2000 22.4348 -12.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4431 11.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5823 -7.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8947 -11.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 10.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3925 -7.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1647 -11.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7132 9.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6246 -10.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2533 9.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4726 -6.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8947 -9.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 8.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7427 -5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3546 -9.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1731 8.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5528 -5.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6246 -8.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9030 7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8229 -4.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0846 -7.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4431 6.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6330 -4.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3546 -6.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1731 5.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8145 -6.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7132 5.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0044 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7343 -7.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5233 5.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9242 -7.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 4.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3841 -6.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8735 4.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6542 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9030 -3.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1436 5.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1141 -5.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7132 -3.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9537 5.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3841 -4.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 -2.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4938 5.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8440 -3.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7933 -2.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2237 4.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1141 -3.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7638 3.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5740 -2.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8735 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4938 3.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8440 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2237 0.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3039 1.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0339 0.2739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1436 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0339 2.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3039 -1.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6035 -0.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8440 2.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4938 -1.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9537 -0.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7638 1.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5740 -0.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6330 8.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0929 7.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1647 -6.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3629 5.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0846 -5.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4431 4.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7933 4.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4136 4.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4938 0.8975 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 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 2 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 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 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 73 33 1 0 0 0 0 74 35 1 0 0 0 0 57 75 1 6 0 0 0 M END > BMDB0098125 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C60H108O6/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/h17,20,25-28,33,35,57H,4-16,18-19,21-24,29-32,34,36-56H2,1-3H3/b20-17-,27-25-,28-26-,35-33-/t57-/m0/s1 > JPQBIVGPVQLOCO-FQBSVBCASA-N > C60H108O6 > 925.518 > 924.814591198 > 3 > 174 > 122.44367721219842 > 0 > 0 > 0 > 0 > (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (13Z)-docos-13-enoate > 10.82 > 21.47757904266667 > -8.15 > 0 > 0 > 0 > -6.565867985382521 > 78.9 > 287.1657 > 55 > 0 > 6.48e-06 g/l > (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (13Z)-docos-13-enoate > 0 > BMDB0098125 > TG(15:0/22:1(13Z)/20:3n6) $$$$