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0 0 0 0 0 0 0 0 0 11.4490 -15.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8217 4.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 4.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4186 -2.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2729 -15.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9978 4.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5947 -2.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7223 -14.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6234 3.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0301 2.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2202 -1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3478 -13.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7995 3.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3963 -1.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7972 -13.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4227 -12.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5988 -12.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2243 -11.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 10.1758 -8.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 0.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -3.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 0.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3519 -8.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9371 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1272 -4.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0061 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9774 -7.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1132 0.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3034 -4.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 -3.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3602 -4.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9552 -6.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 -1.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7569 -5.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5363 -4.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6094 -1.0771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5807 -5.7472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6316 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1536 -7.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 -5.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -4.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -0.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -7.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2285 -5.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 -2.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2283 -2.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 -4.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5153 -5.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8077 -0.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7791 -6.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 -3.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7346 -4.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -4.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0301 -5.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9635 -2.5906 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 -4.9256 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 -13.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8013 -15.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9996 -15.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8679 -1.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6474 -16.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5485 5.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3034 3.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1453 -3.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0727 2.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 2.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5239 -13.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0219 -1.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6210 -13.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1494 -13.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6737 -11.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3214 -3.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2021 -10.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2992 -10.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3741 -8.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6252 -7.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 -3.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 -1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1313 -6.4391 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 1 0 0 0 0 27 23 1 0 0 0 0 28 24 2 0 0 0 0 29 25 1 0 0 0 0 30 26 2 0 0 0 0 31 27 2 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 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 2 0 0 0 0 41 34 1 0 0 0 0 42 35 1 0 0 0 0 43 36 2 0 0 0 0 44 40 1 0 0 0 0 45 41 1 0 0 0 0 46 44 1 0 0 0 0 47 42 1 0 0 0 0 48 43 1 0 0 0 0 49 45 1 0 0 0 0 50 46 2 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 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 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 9 1 0 0 0 0 106 13 1 0 0 0 0 107 21 1 0 0 0 0 108 24 1 0 0 0 0 109 25 1 0 0 0 0 110 26 1 0 0 0 0 111 27 1 0 0 0 0 112 28 1 0 0 0 0 113 30 1 0 0 0 0 114 31 1 0 0 0 0 115 33 1 0 0 0 0 116 36 1 0 0 0 0 117 37 1 0 0 0 0 118 39 1 0 0 0 0 119 40 1 0 0 0 0 120 43 1 0 0 0 0 121 46 1 0 0 0 0 122 50 1 0 0 0 0 123 58 1 0 0 0 0 124 62 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 > CHEM039564 > 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)CCCCCCCCC\C([H])=C(/[H])CCCCCC)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)OC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,24-28,30-31,33,36-37,39-40,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-23,29,32,34-35,38,41-42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,28-24+,30-26+,31-27-,37-33+,40-39+,43-36+,50-46+,62-58-/t79?,80-,81-/m1/s1 > OFXMWINBKIDVBY-LMSJUDKUSA-N > C85H146O17P2 > 1502.034 > 1501.003527237 > 9 > 250 > 176.7526225851778 > 0 > 3 > 0 > 0 > [(2R)-3-[(4Z,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-3-[(11E)-octadec-11-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.28 > 25.428724474666666 > -7.28 > 0 > 0 > -2 > 2.191804358215197 > 1.5897376143163378 > -3.4105029523385797 > 236.9499999999999 > 436.47969999999964 > 80 > 0 > 7.91e-05 g/l > (2R)-3-[(4Z,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-3-[(11E)-octadec-11-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid > 0 > CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) $$$$