Mrv1652304052017122D 77 76 0 0 1 0 999 V2000 -16.5792 8.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4179 -2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6465 7.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0875 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9096 -3.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8270 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2679 7.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5818 -4.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4991 7.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7762 7.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0735 -4.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6796 7.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9567 7.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 -4.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3518 6.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4649 6.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3848 -5.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5322 6.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6454 6.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -5.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 5.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1536 6.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5322 -4.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3848 5.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3341 6.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3518 -4.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8424 5.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6796 -3.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0228 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5311 5.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7115 5.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2198 4.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1878 -3.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4002 4.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5157 -2.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9085 3.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0239 -1.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0889 3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 4.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -1.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5972 3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 -1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7776 3.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 4.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 -1.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2859 2.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9096 3.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4014 -0.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 2.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 3.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5818 -0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 2.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 2.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1551 2.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9427 2.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9592 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3521 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 1.1402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2705 -0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6633 1.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9427 -0.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9912 0.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 1.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7788 0.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 1.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 -4.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7457 -5.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -6.2413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -6.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8435 -5.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4991 -3.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3352 -2.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3518 -0.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 0.3831 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 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 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 1 0 0 0 M END > BMDB0101231 > 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)CCCCCCCCCCCCCCCCCCCCCCC)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/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-/m1/s1 > XEWSVKFVQCBBHY-SXVRJDEZSA-N > C62H112O6 > 953.572 > 952.845891326 > 3 > 180 > 127.35222497115151 > 0 > 0 > 0 > 0 > (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(pentadecanoyloxy)propyl tetracosanoate > 10.85 > 22.366716372666666 > -8.21 > 0 > 0 > 0 > -6.565867985382521 > 78.9 > 296.36769999999996 > 57 > 0 > 5.88e-06 g/l > (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(pentadecanoyloxy)propyl tetracosanoate > 0 > BMDB0101231 > TG(24:0/15:0/20:4(8Z,11Z,14Z,17Z)) $$$$