Mrv1652303302020562D 61 60 0 0 1 0 999 V2000 14.6679 -11.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0968 -9.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9534 -10.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3824 -12.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8112 -11.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2389 -9.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8099 -17.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8099 -16.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0955 -17.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5245 -16.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0955 -18.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5245 -15.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3810 -19.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2389 -14.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3810 -19.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2389 -14.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -20.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9534 -13.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -21.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9534 -12.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6692 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3836 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9547 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9520 -21.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0981 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9559 -7.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6705 -7.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6679 -12.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2402 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9559 -8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6705 -6.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8125 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2415 -9.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3848 -6.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3810 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3824 -10.3812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5258 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0955 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3824 -11.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8099 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5271 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9520 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2415 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3848 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6679 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5245 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8112 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2377 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2389 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0993 -5.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5232 -9.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 -11.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 -13.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 -12.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0942 -11.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5232 -14.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0942 -12.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5232 -14.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 -15.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 40 1 0 0 0 0 36 2 1 6 0 0 0 2 48 1 0 0 0 0 3 46 1 0 0 0 0 3 50 1 0 0 0 0 4 28 2 0 0 0 0 5 48 2 0 0 0 0 6 50 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 24 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 29 1 0 0 0 0 25 32 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 29 37 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 42 1 0 0 0 0 33 44 1 0 0 0 0 34 45 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 36 46 1 0 0 0 0 37 48 1 0 0 0 0 38 41 1 0 0 0 0 39 43 1 0 0 0 0 41 47 1 0 0 0 0 42 44 2 0 0 0 0 43 49 1 0 0 0 0 45 51 1 0 0 0 0 47 50 1 0 0 0 0 49 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 57 1 0 0 0 0 55 56 1 0 0 0 0 55 58 1 0 0 0 0 56 59 1 0 0 0 0 57 59 2 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > CDB001872 > CDB > CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,52H,4-15,17-18,20-24,29-51H2,1-3H3/b19-16-,27-25-,28-26-/t52-/m1/s1 > KGLAHZTWGPHKFF-RISKEULASA-N > C55H100O6 > 857.3789 > 856.751990932 > 3 > 161 > 113.31013609757292 > 0 > 0 > 0 > 0 > (2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate > 10.77 > 19.616657374333336 > -8.11 > 0 > 0 > 0 > -6.565867985366706 > 78.9 > 263.0441 > 51 > 0 > 6.60e-06 g/l > (2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate > 0 > CDB001872 > TG(18:2(9Z,12Z)/18:1(9Z)/16:0) $$$$