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0 0 0 0 0 0 0 0 0 0 0 0 1.9138 -5.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -1.7801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6945 -7.3929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6769 -0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 -9.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 -5.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -5.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -1.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 -9.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8337 -2.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 -5.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3432 -3.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 -3.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9601 -5.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6482 -7.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8668 -0.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7746 -8.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8337 -4.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -6.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2936 -2.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 -6.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 -1.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 -6.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 -3.4951 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -6.3015 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.3654 -12.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5848 -4.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5553 -14.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7746 -6.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1755 -13.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 -7.2370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9681 2.8972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9350 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5258 -14.7207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4751 -5.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6179 1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 -0.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7156 -12.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0954 -5.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9976 3.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 1.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8760 -12.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7451 -3.8069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4456 -11.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0954 -3.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2557 -9.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6955 -3.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8078 1.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 -0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6354 -11.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1249 -1.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -9.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1249 -3.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 -11.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 -3.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4751 -9.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 -4.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4539 -4.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 -2.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 -8.0165 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 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 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 2 0 0 0 0 44 42 2 0 0 0 0 45 35 2 0 0 0 0 46 36 2 0 0 0 0 47 43 1 0 0 0 0 48 44 1 0 0 0 0 49 45 1 0 0 0 0 50 47 1 0 0 0 0 51 46 1 0 0 0 0 52 48 1 0 0 0 0 53 49 1 0 0 0 0 54 50 2 0 0 0 0 55 51 1 0 0 0 0 56 52 2 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 1 0 0 0 0 65 61 1 0 0 0 0 66 62 2 0 0 0 0 67 63 1 0 0 0 0 68 64 2 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 75 71 1 0 0 0 0 76 72 1 0 0 0 0 83 77 1 0 0 0 0 83 78 1 0 0 0 0 84 79 1 0 0 0 0 84 81 1 0 0 0 0 85 80 1 0 0 0 0 85 82 1 0 0 0 0 86 73 1 0 0 0 0 87 74 1 0 0 0 0 88 75 1 0 0 0 0 89 76 1 0 0 0 0 90 83 1 0 0 0 0 91 86 2 0 0 0 0 92 87 2 0 0 0 0 93 88 2 0 0 0 0 94 89 2 0 0 0 0 99 79 1 0 0 0 0 99 86 1 0 0 0 0 100 80 1 0 0 0 0 100 87 1 0 0 0 0 101 77 1 0 0 0 0 102 78 1 0 0 0 0 103 81 1 0 0 0 0 104 82 1 0 0 0 0 84105 1 6 0 0 0 105 88 1 0 0 0 0 85106 1 1 0 0 0 106 89 1 0 0 0 0 107 95 1 0 0 0 0 107 96 2 0 0 0 0 107101 1 0 0 0 0 107103 1 0 0 0 0 108 97 1 0 0 0 0 108 98 2 0 0 0 0 108102 1 0 0 0 0 108104 1 0 0 0 0 109 9 1 0 0 0 0 110 10 1 0 0 0 0 111 13 1 0 0 0 0 112 14 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 41 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 45 1 0 0 0 0 132 46 1 0 0 0 0 133 50 1 0 0 0 0 134 52 1 0 0 0 0 135 54 1 0 0 0 0 136 56 1 0 0 0 0 137 62 1 0 0 0 0 138 64 1 0 0 0 0 139 66 1 0 0 0 0 140 68 1 0 0 0 0 141 83 1 0 0 0 0 84142 1 6 0 0 0 85143 1 1 0 0 0 M END > CHEM039580 > 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)CCCCCCC\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)CCC([H])=C([H])C\C([H])=C(/[H])CC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CC > InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,29-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9+,14-10-,25-21+,26-22+,27-23+,28-24+,37-33+,38-34+,43-41+,44-42+,45-35+,46-36+,54-50+,56-52+,66-62+,68-64+/t83?,84-,85-/m1/s1 > KRRKIACLRUPTQQ-XXYMZQIMSA-N > C89H142O17P2 > 1546.046 > 1544.972227108 > 9 > 250 > 177.85956668857185 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(4E,7E,10E,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy]phosphinic acid > 8.83 > 25.035469194666668 > -7.16 > 0 > 0 > -2 > 2.1918043581903888 > 1.589737614287655 > -3.4105029523385797 > 236.9499999999999 > 461.58329999999955 > 78 > 0 > 1.08e-04 g/l > 3-{[(2R)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(4E,7E,10E,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy)phosphinic acid > 0 > CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) $$$$