Mrv1652304062003062D 77 76 0 0 1 0 999 V2000 28.3101 -2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8666 13.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0409 3.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8705 -1.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4269 13.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8653 3.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2552 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 14.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8155 0.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3719 15.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 4.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2002 0.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7567 15.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4591 5.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7606 1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3170 16.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2835 5.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1453 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4926 16.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6682 5.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7056 2.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1079 15.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4926 5.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0903 3.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2835 15.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6506 4.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8988 15.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8262 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3866 4.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5622 4.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1225 5.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3385 14.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2981 5.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9537 13.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8584 6.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 12.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0341 6.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8773 6.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2178 12.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5944 6.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6575 12.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7700 6.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7017 6.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4819 12.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3303 7.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0864 7.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9215 11.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5059 7.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9108 7.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7459 11.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0663 8.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2955 8.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1856 10.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2419 8.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1199 8.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2741 10.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5381 9.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7137 9.6176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0100 10.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8022 8.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5046 8.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3947 11.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1869 9.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0650 9.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4497 10.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9778 8.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3290 8.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7017 17.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0529 17.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9147 3.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8438 16.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0353 5.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 15.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1293 13.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0087 12.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0984 10.3474 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 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 40 1 0 0 0 0 43 41 1 0 0 0 0 44 39 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 1 0 0 0 68 62 1 0 0 0 0 69 17 1 0 0 0 0 70 20 1 0 0 0 0 71 25 1 0 0 0 0 72 26 1 0 0 0 0 73 27 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 1 0 0 0 M END > BMDB0105722 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,59H,4-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-/t59-/m1/s1 > QQXYTJKKHDLIGK-UHEGFFLPSA-N > C62H112O6 > 953.572 > 952.845891326 > 3 > 180 > 127.25492240749216 > 0 > 0 > 0 > 0 > (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 10.81 > 22.366716372666666 > -8.22 > 0 > 0 > 0 > -6.565867985382521 > 78.9 > 296.36769999999996 > 57 > 0 > 5.74e-06 g/l > (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 0 > BMDB0105722 > TG(24:1(15Z)/15:0/20:3n6) $$$$