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0 0 0 0 0 0 0 0 0 10.7250 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 10.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 12.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 10.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 7.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 8.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 9.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 10.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 8.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 10.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 7.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 10.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 10.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 7.8592 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 10.0026 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 19.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 20.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 18.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 20.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 19.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9750 1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 17.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 16.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 15.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 7.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 15.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 14.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 14.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 12.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 8.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 7.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 11.4315 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 1 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 2 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 27 1 0 0 0 0 111 28 1 0 0 0 0 112 31 1 0 0 0 0 113 33 1 0 0 0 0 114 34 1 0 0 0 0 115 36 1 0 0 0 0 116 37 1 0 0 0 0 117 39 1 0 0 0 0 118 40 1 0 0 0 0 119 41 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 > CHEM039567 > 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])CCCCCCCC)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/h9,13,21,24-25,27-28,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-23,26,29-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21+,28-24-,31-27-,37-33-,40-39-,41-34+,43-36-,50-46+,62-58+/t79?,80-,81-/m1/s1 > DEEJVCMKPXUCIZ-FTSSEEGWSA-N > C85H146O17P2 > 1502.034 > 1501.003527237 > 9 > 250 > 176.6713100174569 > 0 > 3 > 0 > 0 > [(2R)-3-[(4E,7E,10Z,13Z,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9E)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.29 > 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-[(4E,7E,10Z,13Z,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9E)-octadec-9-enoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid > 0 > CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)) $$$$