Mrv1652304052011062D 77 76 0 0 1 0 999 V2000 9.9000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0750 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5500 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6625 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1375 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8375 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3125 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0750 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6625 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 5.0013 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 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -8.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -8.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -7.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 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 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 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 36 1 0 0 0 0 76 38 1 0 0 0 0 59 77 1 6 0 0 0 M END > BMDB0098233 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > 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/h17,20,25-28,36,38,59H,4-16,18-19,21-24,29-35,37,39-58H2,1-3H3/b20-17-,27-25-,28-26-,38-36-/t59-/m0/s1 > VCPQKNQZLDXCTL-OUVQFZBESA-N > C62H112O6 > 953.572 > 952.845891326 > 3 > 180 > 126.7984603649131 > 0 > 0 > 0 > 0 > (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 10.81 > 22.366716372666666 > -8.22 > 0 > 0 > 0 > -6.565867985382053 > 78.9 > 296.36769999999996 > 57 > 0 > 5.74e-06 g/l > (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 0 > BMDB0098233 > TG(15:0/20:3n6/24:1(15Z)) $$$$