Mrv1652304052011262D 77 76 0 0 1 0 999 V2000 12.3012 7.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4457 14.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8548 7.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7929 7.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2653 14.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5270 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5931 13.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7074 7.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1042 8.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4126 13.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3796 8.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9238 8.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9044 13.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5600 8.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4155 9.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7239 13.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2322 9.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2351 8.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2157 14.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4126 9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7268 9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8878 15.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0848 10.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5464 9.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3796 15.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0381 10.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0518 16.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8576 10.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3494 10.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1689 10.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6607 11.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2322 16.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4802 11.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9720 11.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9044 17.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7915 11.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0848 17.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2653 10.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2832 12.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5931 16.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9374 11.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1028 12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7735 17.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1179 11.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5945 13.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2818 16.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7901 12.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4141 12.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4623 16.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9705 12.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9058 13.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9705 15.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6427 12.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7254 13.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1510 15.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6758 13.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5284 14.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3479 14.6728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.8231 13.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2171 14.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6592 15.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3314 12.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8893 14.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9871 14.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4953 13.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0367 14.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8397 15.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1014 12.6855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.7405 12.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.0518 13.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.0352 14.3889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.1991 15.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5435 17.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.3961 18.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7570 18.3636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8562 14.0104 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 34 1 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 38 36 2 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 36 1 0 0 0 0 76 38 1 0 0 0 0 59 77 1 6 0 0 0 M END > BMDB0098402 > bmdb > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC > InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,38,59H,4-7,9-10,12-16,18-19,21-25,27,29-35,37,39-58H2,1-3H3/b11-8-,20-17-,28-26-,38-36-/t59-/m0/s1 > DDIKHLHTZHCYNT-LYGQPREJSA-N > C62H112O6 > 953.572 > 952.845891326 > 3 > 180 > 126.91080461451773 > 0 > 0 > 0 > 0 > (2S)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(pentadecanoyloxy)propyl tetracosanoate > 10.85 > 22.366716372666666 > -8.21 > 0 > 0 > 0 > -6.565867985382053 > 78.9 > 296.36769999999996 > 57 > 0 > 5.88e-06 g/l > (2S)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(pentadecanoyloxy)propyl tetracosanoate > 0 > BMDB0098402 > TG(15:0/20:4(8Z,11Z,14Z,17Z)/24:0) $$$$