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6.8025 -1.5537 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 7.1684 -2.2931 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 6.7110 -2.9797 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 7.0769 -3.7191 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 6.6195 -4.4057 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 5.7962 -4.3529 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 11.3764 -14.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 -0.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9444 5.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8275 -16.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6007 0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4933 3.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1997 -14.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6985 -2.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3040 2.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1559 4.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7548 -15.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 0.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6574 2.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 4.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6571 -13.3843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4366 -0.8142 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 7.0769 2.7244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7611 -12.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8814 0.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2912 -12.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8401 -10.5322 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 5.3388 1.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4428 1.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3701 -10.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1746 0.5061 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 10.0042 -9.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5531 -7.5218 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 2 0 0 0 0 14 10 2 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 1 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 10 1 0 0 0 0 109 11 1 0 0 0 0 110 13 1 0 0 0 0 111 14 1 0 0 0 0 112 15 1 0 0 0 0 113 21 1 0 0 0 0 114 22 1 0 0 0 0 115 23 1 0 0 0 0 116 24 1 0 0 0 0 117 25 1 0 0 0 0 118 26 1 0 0 0 0 119 27 1 0 0 0 0 120 28 1 0 0 0 0 121 33 1 0 0 0 0 122 34 1 0 0 0 0 123 35 1 0 0 0 0 124 36 1 0 0 0 0 125 37 1 0 0 0 0 126 38 1 0 0 0 0 127 40 1 0 0 0 0 128 42 1 0 0 0 0 129 43 1 0 0 0 0 130 44 1 0 0 0 0 131 46 1 0 0 0 0 132 48 1 0 0 0 0 133 50 1 0 0 0 0 134 52 1 0 0 0 0 135 60 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 > CHEM039579 > 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)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)CCCCCC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(/[H])CC([H])=C([H])CC)OC(=O)CCCCCCCC([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/h9-11,13-15,21-28,33-38,40,42-44,46,48,50,52,60,64,81-83,88H,5-8,12,16-20,29-32,39,41,45,47,49,51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9+,14-10-,15-11+,25-21+,26-22+,27-23-,28-24+,37-33+,38-34+,42-40+,43-35+,44-36-,50-46-,52-48+,64-60+/t81?,82-,83-/m1/s1 > LOZMAZMZCODBRM-DKMPOTFRSA-N > C87H140O17P2 > 1520.008 > 1518.956577044 > 9 > 246 > 174.54587071147972 > 0 > 3 > 0 > 0 > [(2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11E,14E,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-3-[(9E,12Z,15E)-octadeca-9,12,15-trienoyloxy]-2-[(9Z,12E)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 8.78 > 24.50825352133333 > -7.16 > 0 > 0 > -2 > 2.191804358215197 > 1.5897376143163378 > -3.4105029523385797 > 236.9499999999999 > 451.26469999999966 > 77 > 0 > 1.06e-04 g/l > (2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11E,14E,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-3-[(9E,12Z,15E)-octadeca-9,12,15-trienoyloxy]-2-[(9Z,12E)-octadeca-9,12-dienoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid > 0 > CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) $$$$