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9.4875 -3.5724 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 9.4875 -7.8592 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 8.6625 -3.5724 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 8.6625 -7.8592 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 8.2500 -4.2868 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 8.2500 -7.1447 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 7.4250 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -3.5724 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 -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -6.4302 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 4.9500 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7750 -5.7158 0.0000 C 0 0 2 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 7.4250 -7.1447 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 7.0125 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -5.0013 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 7.0125 -7.8592 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 7.4250 -5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -4.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -5.8263 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 7.0125 -6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -5.0013 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 6.1875 -5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.8579 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -5.0013 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -13.5749 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 10.7250 -15.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -13.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -7.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 -15.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -5.7158 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 7.0125 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -12.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 -5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 -12.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -12.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -10.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -10.0026 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 11.9625 -9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -7.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -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 5.3625 -6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 11 2 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 21 2 0 0 0 0 26 22 2 0 0 0 0 27 23 2 0 0 0 0 28 24 2 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 31 1 0 0 0 0 36 32 1 0 0 0 0 37 33 2 0 0 0 0 38 34 2 0 0 0 0 39 37 1 0 0 0 0 40 39 1 0 0 0 0 41 38 1 0 0 0 0 42 40 2 0 0 0 0 43 35 2 0 0 0 0 44 36 2 0 0 0 0 45 42 1 0 0 0 0 46 41 1 0 0 0 0 47 43 1 0 0 0 0 48 45 1 0 0 0 0 49 44 1 0 0 0 0 50 46 2 0 0 0 0 51 47 1 0 0 0 0 52 48 2 0 0 0 0 53 49 1 0 0 0 0 54 50 1 0 0 0 0 55 51 1 0 0 0 0 56 52 1 0 0 0 0 57 53 1 0 0 0 0 58 54 1 0 0 0 0 59 55 1 0 0 0 0 60 56 1 0 0 0 0 61 57 1 0 0 0 0 62 58 2 0 0 0 0 63 59 1 0 0 0 0 64 60 2 0 0 0 0 65 61 1 0 0 0 0 66 62 1 0 0 0 0 67 63 1 0 0 0 0 68 64 1 0 0 0 0 69 65 1 0 0 0 0 70 66 1 0 0 0 0 71 67 1 0 0 0 0 72 68 1 0 0 0 0 73 69 1 0 0 0 0 74 70 1 0 0 0 0 81 75 1 0 0 0 0 81 76 1 0 0 0 0 82 77 1 0 0 0 0 82 79 1 0 0 0 0 83 78 1 0 0 0 0 83 80 1 0 0 0 0 84 71 1 0 0 0 0 85 72 1 0 0 0 0 86 73 1 0 0 0 0 87 74 1 0 0 0 0 88 81 1 0 0 0 0 89 84 2 0 0 0 0 90 85 2 0 0 0 0 91 86 2 0 0 0 0 92 87 2 0 0 0 0 97 77 1 0 0 0 0 97 84 1 0 0 0 0 98 78 1 0 0 0 0 98 85 1 0 0 0 0 99 75 1 0 0 0 0 100 76 1 0 0 0 0 101 79 1 0 0 0 0 102 80 1 0 0 0 0 82103 1 6 0 0 0 103 86 1 0 0 0 0 83104 1 1 0 0 0 104 87 1 0 0 0 0 105 93 1 0 0 0 0 105 94 2 0 0 0 0 105 99 1 0 0 0 0 105101 1 0 0 0 0 106 95 1 0 0 0 0 106 96 2 0 0 0 0 106100 1 0 0 0 0 106102 1 0 0 0 0 107 9 1 0 0 0 0 108 11 1 0 0 0 0 109 13 1 0 0 0 0 110 15 1 0 0 0 0 111 21 1 0 0 0 0 112 22 1 0 0 0 0 113 23 1 0 0 0 0 114 24 1 0 0 0 0 115 25 1 0 0 0 0 116 26 1 0 0 0 0 117 27 1 0 0 0 0 118 28 1 0 0 0 0 119 33 1 0 0 0 0 120 34 1 0 0 0 0 121 35 1 0 0 0 0 122 36 1 0 0 0 0 123 37 1 0 0 0 0 124 38 1 0 0 0 0 125 40 1 0 0 0 0 126 42 1 0 0 0 0 127 43 1 0 0 0 0 128 44 1 0 0 0 0 129 46 1 0 0 0 0 130 48 1 0 0 0 0 131 50 1 0 0 0 0 132 52 1 0 0 0 0 133 58 1 0 0 0 0 134 60 1 0 0 0 0 135 62 1 0 0 0 0 136 64 1 0 0 0 0 137 81 1 0 0 0 0 82138 1 6 0 0 0 83139 1 1 0 0 0 M END > CHEM039577 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCC([H])(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC([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)CCCC([H])=C([H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)OC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,11,13,15,21-28,33-38,40,42-44,46,48,50,52,58,60,62,64,81-83,88H,5-8,10,12,14,16-20,29-32,39,41,45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9+,15-11+,25-21+,26-22+,27-23+,28-24+,37-33+,38-34+,42-40+,43-35+,44-36+,50-46+,52-48+,62-58+,64-60+/t81?,82-,83-/m1/s1 > NSNTZLQFLUAGLP-QHOUHMEISA-N > C87H140O17P2 > 1520.008 > 1518.956577044 > 9 > 246 > 175.43495978320624 > 0 > 3 > 0 > 0 > [(2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 8.82 > 24.50825352133333 > -7.16 > 0 > 0 > -2 > 2.191804358215093 > 1.5897376143161042 > -3.4105029523385797 > 236.9499999999999 > 451.2646999999996 > 77 > 0 > 1.05e-04 g/l > (2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid > 0 > CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) $$$$