Mrv1572004261618192D 92 91 0 0 1 0 999 V2000 24.3375 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 -2.8579 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 24.7500 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 -3.5724 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 24.3375 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -3.5724 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 24.7500 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3375 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5750 10.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 10.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3375 -5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 12.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 10.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 -7.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 11.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 -8.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 8.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 -6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5625 -6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 7.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 -5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5625 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2125 0.7145 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 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 2 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 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 2 0 0 0 0 34 32 2 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 24 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 38 2 0 0 0 0 41 39 2 0 0 0 0 42 37 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 2 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 57 54 1 0 0 0 0 60 58 1 0 0 0 0 60 59 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 57 1 0 0 0 0 64 61 2 0 0 0 0 65 62 2 0 0 0 0 66 63 2 0 0 0 0 67 58 1 0 0 0 0 67 61 1 0 0 0 0 68 59 1 0 0 0 0 68 62 1 0 0 0 0 60 69 1 6 0 0 0 69 63 1 0 0 0 0 70 7 1 0 0 0 0 71 8 1 0 0 0 0 72 10 1 0 0 0 0 73 11 1 0 0 0 0 74 16 1 0 0 0 0 75 17 1 0 0 0 0 76 19 1 0 0 0 0 77 20 1 0 0 0 0 78 25 1 0 0 0 0 79 26 1 0 0 0 0 80 27 1 0 0 0 0 81 28 1 0 0 0 0 82 31 1 0 0 0 0 83 32 1 0 0 0 0 84 33 1 0 0 0 0 85 34 1 0 0 0 0 86 38 1 0 0 0 0 87 39 1 0 0 0 0 88 40 1 0 0 0 0 89 41 1 0 0 0 0 90 46 1 0 0 0 0 91 49 1 0 0 0 0 60 92 1 6 0 0 0 M END > CHEM039762 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCC(=O)OC[C@]([H])(COC(=O)CC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CC)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-41,46,49,60H,4-6,9,12-15,18,21-24,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b10-7+,11-8+,19-16+,20-17+,27-25+,28-26+,33-31+,34-32+,40-38+,41-39+,49-46+/t60-/m0/s1 > MDADRLWXQATSON-ZYAFILSCSA-N > C63H100O6 > 953.487 > 952.75199094 > 3 > 169 > 120.5788619805817 > 0 > 0 > 0 > 0 > (2R)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(hexadecanoyloxy)propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 10.11 > 20.277833441000002 > -8.18 > 0 > 0 > 0 > -6.567013933320472 > 78.9 > 308.78489999999994 > 51 > 0 > 6.36e-06 g/l > (2R)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(hexadecanoyloxy)propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 0 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$