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0 0 0 0 0 0 0 0 0 0 0 0 10.8746 2.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 -13.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8209 0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -7.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0305 1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8855 -13.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6005 0.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7941 -7.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4069 0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7296 -12.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7564 -0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -8.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 -5.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2241 -6.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0950 -1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8209 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6273 -2.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2887 -9.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8478 -6.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4714 -1.7329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6650 -9.8342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5628 0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3532 -11.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5359 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7296 -8.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6273 -6.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3423 -0.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1327 -12.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 -0.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3532 -8.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9697 -3.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3494 -4.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2965 -8.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 -7.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 -0.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1973 -11.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3155 -4.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 -7.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0037 -3.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1327 -8.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8855 -9.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 -3.8932 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.7564 -7.9439 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 -19.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -20.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3909 -19.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7564 -4.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0842 6.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 6.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 -21.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7296 -4.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9014 6.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 5.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -18.7457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 -2.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3692 4.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3909 3.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1973 -18.7457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -4.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8586 -17.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -16.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2778 6.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 4.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 -3.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 -15.2351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 -5.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7455 3.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7941 -15.2351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5628 3.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 -6.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 -12.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6382 -6.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -14.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0682 -5.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 -2.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4446 -10.1043 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 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 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 2 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 1 0 0 0 103 86 1 0 0 0 0 83104 1 6 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 13 1 0 0 0 0 109 21 1 0 0 0 0 110 22 1 0 0 0 0 111 23 1 0 0 0 0 112 24 1 0 0 0 0 113 25 1 0 0 0 0 114 26 1 0 0 0 0 115 27 1 0 0 0 0 116 28 1 0 0 0 0 117 33 1 0 0 0 0 118 34 1 0 0 0 0 119 35 1 0 0 0 0 120 36 1 0 0 0 0 121 37 1 0 0 0 0 122 38 1 0 0 0 0 123 40 1 0 0 0 0 124 42 1 0 0 0 0 125 43 1 0 0 0 0 126 44 1 0 0 0 0 127 46 1 0 0 0 0 128 48 1 0 0 0 0 129 50 1 0 0 0 0 130 51 1 0 0 0 0 131 52 1 0 0 0 0 132 55 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 1 0 0 0 83139 1 6 0 0 0 M END > CHEM039576 > 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])C\C([H])=C(/[H])CCC(=O)OC[C@]([H])(COP(O)(=O)OCC([H])(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\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)OC(=O)CCCC([H])=C([H])C\C([H])=C(/[H])C\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/h9,13,21-28,33-38,40,42-44,46,48,50-52,55,58,60,62,64,81-83,88H,5-8,10-12,14-20,29-32,39,41,45,47,49,53-54,56-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9+,25-21+,26-22+,27-23+,28-24+,37-33+,38-34+,42-40+,43-35+,44-36+,50-46+,52-48+,55-51+,62-58+,64-60+/t81?,82-,83-/m1/s1 > LBJIFSVWLHEOBJ-QTGBVQHSSA-N > C87H140O17P2 > 1520.008 > 1518.956577044 > 9 > 246 > 175.14647335080514 > 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-[(6E,9E,12E)-octadeca-6,9,12-trienoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 8.83 > 24.50825352133333 > -7.17 > 0 > 0 > -2 > 2.1918043582150917 > 1.5897376143161006 > -3.4105029523385797 > 236.9499999999999 > 451.26469999999955 > 77 > 0 > 1.03e-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-[(6E,9E,12E)-octadeca-6,9,12-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(6Z,9Z,12Z)/18:2(9Z,12Z)) $$$$