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2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5594 -11.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8401 -4.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5534 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1934 -10.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0167 -4.0360 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 10.3701 -10.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6508 -3.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0042 -9.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8275 -3.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4616 -8.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3701 -3.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0957 -8.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5468 -3.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8091 0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2724 -8.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 0.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0894 -4.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9065 -7.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2661 -4.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 -4.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8939 -6.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2414 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 -5.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -4.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6073 -1.0783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5280 -5.8317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6198 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0832 -7.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -5.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 -4.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6258 -8.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -1.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1746 -5.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6872 -2.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -2.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 -4.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 -5.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7965 -0.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7173 -6.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3137 -3.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 -4.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -1.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 -5.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9854 -5.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -2.6100 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 -4.9866 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.8526 -11.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7423 -8.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4015 -9.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4679 -6.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0293 -11.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9378 -6.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2852 4.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 3.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4741 -9.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9253 -5.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8341 2.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1621 1.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1020 -11.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2974 -3.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6508 -9.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5594 -4.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -9.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4616 -2.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2849 -9.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9127 -4.6169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -3.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 -1.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0706 -6.5183 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 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 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 1 0 0 0 0 28 24 1 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 38 1 0 0 0 0 41 35 2 0 0 0 0 42 36 2 0 0 0 0 43 39 1 0 0 0 0 44 40 1 0 0 0 0 45 41 1 0 0 0 0 46 43 2 0 0 0 0 47 42 1 0 0 0 0 48 44 2 0 0 0 0 49 45 1 0 0 0 0 50 46 1 0 0 0 0 51 47 1 0 0 0 0 52 48 1 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 2 0 0 0 0 59 55 1 0 0 0 0 60 56 2 0 0 0 0 61 57 1 0 0 0 0 62 58 1 0 0 0 0 63 59 1 0 0 0 0 64 60 1 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 79 73 1 0 0 0 0 79 74 1 0 0 0 0 80 75 1 0 0 0 0 80 77 1 0 0 0 0 81 76 1 0 0 0 0 81 78 1 0 0 0 0 82 69 1 0 0 0 0 83 70 1 0 0 0 0 84 71 1 0 0 0 0 85 72 1 0 0 0 0 86 79 1 0 0 0 0 87 82 2 0 0 0 0 88 83 2 0 0 0 0 89 84 2 0 0 0 0 90 85 2 0 0 0 0 95 75 1 0 0 0 0 95 82 1 0 0 0 0 96 76 1 0 0 0 0 96 83 1 0 0 0 0 97 73 1 0 0 0 0 98 74 1 0 0 0 0 99 77 1 0 0 0 0 100 78 1 0 0 0 0 80101 1 6 0 0 0 101 84 1 0 0 0 0 81102 1 1 0 0 0 102 85 1 0 0 0 0 103 91 1 0 0 0 0 103 92 2 0 0 0 0 103 97 1 0 0 0 0 103 99 1 0 0 0 0 104 93 1 0 0 0 0 104 94 2 0 0 0 0 104 98 1 0 0 0 0 104100 1 0 0 0 0 105 21 1 0 0 0 0 106 22 1 0 0 0 0 107 25 1 0 0 0 0 108 26 1 0 0 0 0 109 33 1 0 0 0 0 110 34 1 0 0 0 0 111 35 1 0 0 0 0 112 36 1 0 0 0 0 113 37 1 0 0 0 0 114 38 1 0 0 0 0 115 41 1 0 0 0 0 116 42 1 0 0 0 0 117 43 1 0 0 0 0 118 44 1 0 0 0 0 119 46 1 0 0 0 0 120 48 1 0 0 0 0 121 54 1 0 0 0 0 122 56 1 0 0 0 0 123 58 1 0 0 0 0 124 60 1 0 0 0 0 125 79 1 0 0 0 0 80126 1 6 0 0 0 81127 1 1 0 0 0 M END > CHEM039549 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCC([H])(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)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])CCCCCCCC > InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-38,41-44,46,48,54,56,58,60,79-81,86H,5-20,23-24,27-32,39-40,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21+,26-22+,37-33+,38-34+,41-35+,42-36+,46-43+,48-44+,58-54+,60-56+/t79?,80-,81-/m1/s1 > QEYMIZCIDIABFJ-DALKANECSA-N > C85H146O17P2 > 1502.034 > 1501.003527237 > 9 > 250 > 177.35396499081338 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propoxy][3-({[(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid > 9.32 > 25.428724474666666 > -7.26 > 0 > 0 > -2 > 2.1918043582170634 > 1.5897376143219288 > -3.4105029523385797 > 236.9499999999999 > 436.47969999999964 > 80 > 0 > 8.33e-05 g/l > (2R)-2,3-bis[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propoxy(3-{[(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid > 0 > CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(9Z)) $$$$