Mrv1572004261617192D 127126 0 0 1 0 999 V2000 17.2233 2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 10.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2938 -22.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1609 0.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8649 2.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 9.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5239 -22.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7365 3.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8291 8.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3956 -21.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6476 -0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3782 4.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 8.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6256 -21.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2498 5.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3158 7.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4973 -20.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 -1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4799 5.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6742 6.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7274 -19.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 -2.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3516 6.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 6.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 -19.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5816 6.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1609 5.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8291 -18.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9794 -3.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9400 5.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2892 4.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 -18.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 -4.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1701 6.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0592 4.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5285 5.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -17.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -4.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6568 4.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9574 3.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2141 -16.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0152 4.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 -5.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0858 2.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8557 -16.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1435 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 -5.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8557 2.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7274 -15.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5019 3.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9043 -6.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9840 1.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 -14.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6302 2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6742 -6.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 1.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2407 -14.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9886 1.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 -7.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8823 0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 -13.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1169 0.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5725 -8.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6522 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -12.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4753 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 -8.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7805 -0.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0372 -7.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5505 -5.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4973 -11.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0903 -1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -9.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5771 -3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6788 -6.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 -10.2819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4487 -2.2805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9840 -12.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6036 -0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 -9.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5505 -1.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4487 -6.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 -12.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3736 -0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1123 -8.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 -0.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0053 -7.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0425 -9.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2488 -4.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8787 -4.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8557 -11.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9620 -0.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 -7.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 -5.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8823 -8.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9354 -3.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 -9.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6788 -1.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5239 -8.4298 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 -4.4291 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.9666 4.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1481 3.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8383 4.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9043 7.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0858 -20.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 -1.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9932 6.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5725 5.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2407 -18.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -3.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0684 5.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6476 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9309 -17.7648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -4.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0418 7.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 4.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1123 -17.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 -4.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4267 4.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2453 4.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9089 -6.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1389 -10.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2187 -2.5769 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 38 1 0 0 0 0 41 35 2 0 0 0 0 42 36 2 0 0 0 0 43 39 1 0 0 0 0 44 40 1 0 0 0 0 45 41 1 0 0 0 0 46 43 2 0 0 0 0 47 42 1 0 0 0 0 48 44 1 0 0 0 0 49 45 1 0 0 0 0 50 46 1 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 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 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 22 1 0 0 0 0 109 23 1 0 0 0 0 110 24 1 0 0 0 0 111 25 1 0 0 0 0 112 26 1 0 0 0 0 113 27 1 0 0 0 0 114 28 1 0 0 0 0 115 33 1 0 0 0 0 116 34 1 0 0 0 0 117 35 1 0 0 0 0 118 36 1 0 0 0 0 119 37 1 0 0 0 0 120 38 1 0 0 0 0 121 41 1 0 0 0 0 122 42 1 0 0 0 0 123 43 1 0 0 0 0 124 46 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 > CHEM039554 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(=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)CCCCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,41-43,46,79-81,86H,5-8,10-12,14-20,29-32,39-40,44-45,47-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9+,25-21+,26-22+,27-23+,28-24+,37-33+,38-34+,41-35+,42-36+,46-43+/t79?,80-,81-/m1/s1 > NVEKMRZQYBIFMN-UTUWOZMFSA-N > C85H146O17P2 > 1502.034 > 1501.003527237 > 9 > 250 > 175.85374389114645 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(11E,14E)-icosa-11,14-dienoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.21 > 25.428724474666666 > -7.29 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.9499999999999 > 436.4796999999997 > 80 > 0 > 7.72e-05 g/l > (2R)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-2-[(11E,14E)-icosa-11,14-dienoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid > 0 > CL(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) $$$$