Mrv1572009081522282D 104104 0 0 1 0 999 V2000 42.0663 -16.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.5003 -15.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3249 -15.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7156 -16.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5402 -16.5419 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 44.5652 -15.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5151 -17.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3648 -16.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.7554 -17.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5800 -17.3187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 46.9706 -18.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.7952 -18.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.1859 -18.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.7518 -19.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.0105 -18.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4011 -19.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2257 -19.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.6163 -20.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.4409 -20.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8315 -21.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.6562 -21.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0468 -21.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8714 -21.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.2620 -22.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.0866 -22.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.4772 -23.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.3018 -23.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.6925 -24.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.5171 -24.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.9077 -24.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7323 -24.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.4737 -25.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0140 -16.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.8386 -16.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.2293 -17.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.2727 -15.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0973 -15.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5313 -15.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.3559 -15.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7899 -14.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.6145 -14.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0485 -13.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.8732 -13.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.3072 -13.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.1318 -13.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8585 -12.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8334 -13.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2240 -14.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7900 -15.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.1806 -15.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7466 -16.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.1372 -17.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7032 -17.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1097 -15.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2851 -15.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8945 -14.2867 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 41.6212 -13.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.1678 -14.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5039 -13.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.6793 -13.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2886 -12.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 38.4640 -12.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0734 -12.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2488 -12.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8148 -12.7332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8582 -11.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0336 -11.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6430 -10.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8183 -10.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4277 -9.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6031 -9.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2125 -9.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3879 -9.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9973 -8.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1727 -8.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7820 -7.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9574 -7.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5668 -6.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7422 -6.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3516 -6.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5270 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1364 -5.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3117 -5.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7227 -12.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5473 -12.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9379 -12.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9813 -11.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8059 -11.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2399 -10.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0645 -10.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4985 -10.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3232 -10.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7572 -9.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5818 -9.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0158 -8.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8404 -8.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2744 -8.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.0991 -8.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5331 -7.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.3577 -7.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7917 -6.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.6163 -6.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0503 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8749 -6.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 10 33 1 6 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 2 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 56 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 61 84 1 1 0 0 0 84 85 1 0 0 0 0 85 86 2 0 0 0 0 85 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 M END > M2MDB007029 > M2MDB > CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC1CC1CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC > InChI=1S/C85H164O17P2/c1-6-9-12-15-17-19-21-23-25-27-31-35-39-45-51-58-65-82(87)95-72-80(101-84(89)67-60-53-47-41-37-32-28-26-24-22-20-18-16-13-10-7-2)74-99-103(91,92)97-70-79(86)71-98-104(93,94)100-75-81(73-96-83(88)66-59-52-46-40-36-33-29-30-34-38-43-49-55-62-76(4)5)102-85(90)68-61-54-48-42-44-50-57-64-78-69-77(78)63-56-14-11-8-3/h76-81,86H,6-75H2,1-5H3,(H,91,92)(H,93,94)/t77?,78?,79?,80-,81-/m1/s1 > MMAHJKUIRVSFMG-IPXGXCTOSA-N > C85H164O17P2 > 1520.178 > 1519.144377817 > 9 > 268 > 189.31665861931518 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-[(17-methyloctadecanoyl)oxy]propoxy]phosphinic acid > 8.97 > 28.11156643266667 > -7.45 > 0 > 1 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999993 > 423.35429999999997 > 87 > 0 > 5.42e-05 g/l > 3-{[(2R)-2,3-bis(nonadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-[(17-methyloctadecanoyl)oxy]propoxy)phosphinic acid > 0 > ECMDB24912 > CL(19:iso/19:0cycv8c/19:0/19:0) $$$$