Mrv1652304052008372D 76 75 0 0 1 0 999 V2000 5.7750 0.0000 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 9.9000 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 0.0000 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 9.4875 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.7145 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 8.6625 -5.0013 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 -9.9000 -4.2868 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 3.3000 0.0000 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 7.4250 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.0000 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 7.0125 -3.5724 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 -7.8375 -3.5724 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 2.4750 1.4289 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 5.7750 -2.8579 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 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 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 4.9500 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 5.0013 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 1.2375 5.0013 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 -5.3625 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 4.2868 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 -4.9500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2868 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 -4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 3.5724 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 -3.7125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8579 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 -2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.8579 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 -1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.1434 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 -2.8875 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 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 -1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4289 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 4.9500 1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.4289 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 2 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 2 0 0 0 0 20 17 1 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 25 2 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 31 23 1 0 0 0 0 32 24 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 35 33 2 0 0 0 0 36 32 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 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 2 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 54 52 1 0 0 0 0 54 53 1 0 0 0 0 55 49 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 55 2 0 0 0 0 59 56 2 0 0 0 0 60 57 2 0 0 0 0 61 52 1 0 0 0 0 61 55 1 0 0 0 0 62 53 1 0 0 0 0 62 56 1 0 0 0 0 54 63 1 6 0 0 0 63 57 1 0 0 0 0 64 7 1 0 0 0 0 65 10 1 0 0 0 0 66 16 1 0 0 0 0 67 19 1 0 0 0 0 68 25 1 0 0 0 0 69 26 1 0 0 0 0 70 28 1 0 0 0 0 71 29 1 0 0 0 0 72 33 1 0 0 0 0 73 35 1 0 0 0 0 74 41 1 0 0 0 0 75 44 1 0 0 0 0 54 76 1 6 0 0 0 M END > BMDB0096921 > bmdb > [H]C(CC)=C([H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,33,35,41,44,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,26-25+,29-28-,35-33-,44-41-/t54-/m0/s1 > GNADFLWMYUNMMR-SBSJFPCCSA-N > C57H98O6 > 879.405 > 878.736340876 > 3 > 161 > 113.52802360083308 > 0 > 0 > 0 > 0 > (2S)-2,3-bis(hexadecanoyloxy)propyl (4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoate > 10.76 > 19.420029734333333 > -8.03 > 0 > 0 > 0 > -6.56701392859847 > 78.9 > 275.59590000000003 > 50 > 0 > 8.14e-06 g/l > (2S)-2,3-bis(hexadecanoyloxy)propyl (4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0096921 > TG(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$