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0 0 4.1250 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 2.1434 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 4.5375 7.8592 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 5.3625 2.1434 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 14.0250 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 5.7750 7.1447 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 6.6000 2.8579 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 12.7875 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 7.0125 6.4302 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 7.8375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 5.7158 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 5.0013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 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 8.2500 7.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 12.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 15.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 12.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 14.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 12.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9750 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 11.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 11.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 2.8579 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 5.3625 9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 8.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 8.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 6.4302 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 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 2 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 24 1 0 0 0 0 28 25 2 0 0 0 0 29 26 2 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 1 0 0 0 0 34 32 2 0 0 0 0 35 33 2 0 0 0 0 36 27 2 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 36 1 0 0 0 0 42 39 2 0 0 0 0 43 40 2 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 2 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 58 55 1 0 0 0 0 59 56 1 0 0 0 0 62 60 1 0 0 0 0 62 61 1 0 0 0 0 63 57 1 0 0 0 0 64 58 1 0 0 0 0 65 59 1 0 0 0 0 66 63 2 0 0 0 0 67 64 2 0 0 0 0 68 65 2 0 0 0 0 69 60 1 0 0 0 0 69 63 1 0 0 0 0 70 61 1 0 0 0 0 70 64 1 0 0 0 0 62 71 1 6 0 0 0 71 65 1 0 0 0 0 72 7 1 0 0 0 0 73 8 1 0 0 0 0 74 10 1 0 0 0 0 75 11 1 0 0 0 0 76 16 1 0 0 0 0 77 17 1 0 0 0 0 78 18 1 0 0 0 0 79 19 1 0 0 0 0 80 20 1 0 0 0 0 81 21 1 0 0 0 0 82 25 1 0 0 0 0 83 26 1 0 0 0 0 84 27 1 0 0 0 0 85 28 1 0 0 0 0 86 29 1 0 0 0 0 87 32 1 0 0 0 0 88 33 1 0 0 0 0 89 34 1 0 0 0 0 90 35 1 0 0 0 0 91 36 1 0 0 0 0 92 39 1 0 0 0 0 93 40 1 0 0 0 0 94 42 1 0 0 0 0 95 43 1 0 0 0 0 96 48 1 0 0 0 0 97 51 1 0 0 0 0 62 98 1 6 0 0 0 M END > CHEM039766 > 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)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,39-40,42-43,48,51,62H,4-6,9,12-15,22-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b10-7+,11-8+,19-16+,20-17+,21-18+,28-25+,29-26+,34-32+,35-33+,36-27+,42-39+,43-40+,51-48+/t62-/m0/s1 > NZZPEUWLSFJAKQ-GQYCGEQRSA-N > C65H100O6 > 977.509 > 976.75199094 > 3 > 171 > 121.5866648554769 > 0 > 0 > 0 > 0 > (2R)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 9.58 > 20.443127457666666 > -8.07 > 0 > 0 > 0 > -6.567013933320493 > 78.9 > 320.22009999999995 > 51 > 0 > 8.38e-06 g/l > (2R)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 0 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$