Mrv1652304052011032D 75 74 0 0 1 0 999 V2000 9.4796 -16.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 11.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -11.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4796 -16.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 10.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1940 -15.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 9.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -9.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1940 -14.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 9.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -9.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9085 -14.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 8.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -8.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9085 -13.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 9.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 -8.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1940 -13.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 8.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 -7.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1940 -12.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 -7.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9085 -11.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 7.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9085 -11.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 6.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1940 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1940 -9.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4796 -9.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4796 -8.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 6.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7651 -8.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7651 -7.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 5.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0506 -7.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 -6.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0506 -6.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 4.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -5.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 -5.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 3.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -4.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 -4.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 2.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -4.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 -4.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 2.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -3.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 -3.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 1.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 -3.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 -3.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 -1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1927 -1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 -0.8171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0493 -2.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 -2.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 0.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -2.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 -2.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 -2.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1927 -2.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 9.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 9.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6230 -12.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 7.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6230 -10.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 6.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 -1.6421 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 34 1 0 0 0 0 36 33 1 0 0 0 0 37 35 1 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 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 59 75 1 1 0 0 0 M END > BMDB0098206 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C62H114O6/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/h17,20,25-28,59H,4-16,18-19,21-24,29-58H2,1-3H3/b20-17-,27-25-,28-26-/t59-/m0/s1 > IVTQUDKCAUUIQH-HXOGXHPOSA-N > C62H114O6 > 955.588 > 954.861541391 > 3 > 182 > 127.33581231075807 > 0 > 0 > 0 > 0 > (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 10.81 > 22.728638029333332 > -8.18 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 295.25109999999995 > 58 > 0 > 6.37e-06 g/l > (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 0 > BMDB0098206 > TG(15:0/20:2n6/24:1(15Z)) $$$$