Mrv1652304052010352D 77 76 0 0 1 0 999 V2000 13.6274 8.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0199 -8.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1001 8.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2900 -8.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5600 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7075 7.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7499 -9.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8300 7.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5177 6.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0199 -10.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2900 6.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7877 6.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8300 -10.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5600 5.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5979 5.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1001 -11.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0199 5.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8679 5.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9102 -11.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2900 4.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6780 5.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4503 -10.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7499 3.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9481 4.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2604 -10.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7582 4.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8005 -10.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0283 3.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8384 3.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1084 2.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9186 2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5305 -9.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1886 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0706 -8.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9987 1.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8005 -8.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2688 0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0199 2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9904 -7.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0789 0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4798 2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7204 -7.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3490 -0.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7499 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9102 -6.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1591 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2098 0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6402 -6.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4292 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4798 0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8300 -6.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2393 -1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9397 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5600 -5.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5093 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9397 -2.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6697 -4.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3996 -3.3664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.2098 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7499 -5.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3195 -2.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0199 -1.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2098 -5.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8596 -1.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6697 -1.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4798 -4.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5895 -3.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9397 -9.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4798 -10.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5600 -11.7855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1803 -12.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.5305 -11.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6107 -10.3823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.8807 -8.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.3406 -7.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2098 -3.5223 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 2 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 30 1 0 0 0 0 32 31 1 0 0 0 0 33 28 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 35 2 0 0 0 0 38 36 1 0 0 0 0 39 24 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 55 52 1 0 0 0 0 56 53 1 0 0 0 0 59 57 1 0 0 0 0 59 58 1 0 0 0 0 60 54 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 60 2 0 0 0 0 64 61 2 0 0 0 0 65 62 2 0 0 0 0 66 57 1 0 0 0 0 66 60 1 0 0 0 0 67 58 1 0 0 0 0 67 61 1 0 0 0 0 59 68 1 6 0 0 0 68 62 1 0 0 0 0 69 8 1 0 0 0 0 70 11 1 0 0 0 0 71 17 1 0 0 0 0 72 20 1 0 0 0 0 73 26 1 0 0 0 0 74 28 1 0 0 0 0 75 35 1 0 0 0 0 76 37 1 0 0 0 0 59 77 1 6 0 0 0 M END > BMDB0097969 > bmdb > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC > InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,35,37,59H,4-7,9-10,12-16,18-19,21-25,27,29-34,36,38-58H2,1-3H3/b11-8-,20-17-,28-26-,37-35-/t59-/m0/s1 > WPDLLTQAISDMDH-FVYXQSCZSA-N > C62H112O6 > 953.572 > 952.845891326 > 3 > 180 > 126.92301371825977 > 0 > 0 > 0 > 0 > (2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate > 10.85 > 22.366716372666666 > -8.21 > 0 > 0 > 0 > -6.565867985382521 > 78.9 > 296.36769999999996 > 57 > 0 > 5.88e-06 g/l > (2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate > 0 > BMDB0097969 > TG(15:0/24:0/20:4(8Z,11Z,14Z,17Z)) $$$$