Mrv1652303252017092D 139138 0 0 1 0 999 V2000 21.5766 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9015 -3.5771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2264 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2518 -3.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5512 -3.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3747 -4.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9269 -3.1874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.5372 -2.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3167 -3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6020 -2.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2771 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9523 -2.7976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.6274 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4893 -4.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2652 -2.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5286 -2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3402 -2.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 -3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 -3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1195 -3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 -3.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5485 -3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 -3.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9775 -3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6920 -3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4064 -3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1209 -3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8354 -3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5498 -3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2644 -3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9789 -3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6934 -3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4078 -3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1223 -3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8368 -3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8368 -2.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2285 -4.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9430 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6575 -4.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3720 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0865 -4.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8010 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5154 -4.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2299 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9444 -4.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6588 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3734 -4.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0879 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8024 -4.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5168 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2313 -4.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9458 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6602 -4.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6602 -5.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0053 -3.1255 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.7453 -3.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3699 -2.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6407 -3.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2521 -2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9720 -2.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6750 -2.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0249 -2.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1225 -4.7352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0776 -4.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7475 -3.9455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3318 -4.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0674 -3.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5040 -1.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8151 -2.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 -2.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9177 -3.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 -4.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9230 -4.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5222 -2.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4108 -2.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4038 -4.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3976 -4.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0909 -2.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7852 -2.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8794 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8695 -4.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8155 -2.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6848 -2.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1105 -4.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7483 -4.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9735 -2.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5327 -2.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6231 -4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2228 -4.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2047 -2.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9172 -2.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0235 -4.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6479 -4.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6592 -2.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3666 -2.2409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5376 -4.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0955 -4.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0512 -2.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6431 -2.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9584 -4.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9972 -3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 -3.5725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6960 -3.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 -5.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6989 -5.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5649 -5.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3233 -3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3069 -3.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2202 -5.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0027 -5.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7814 -3.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7286 -3.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6966 -5.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4090 -5.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2083 -3.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7424 -3.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1340 -5.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8580 -5.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6899 -3.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3610 -3.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5670 -5.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2773 -5.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2766 -3.5274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8940 -3.3937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0167 -5.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7305 -5.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6950 -3.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2889 -3.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4610 -5.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1824 -5.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1803 -3.5429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4305 -4.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8962 -5.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6097 -5.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5863 -3.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1939 -3.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2260 -2.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3808 -4.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 2 14 1 1 0 0 0 13 15 1 0 0 0 0 12 16 1 6 0 0 0 12 17 1 1 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 2 0 0 0 0 5 35 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 2 0 0 0 0 6 54 1 0 0 0 0 57 56 2 0 0 0 0 58 56 1 0 0 0 0 59 56 1 0 0 0 0 15 56 1 0 0 0 0 1 60 1 0 0 0 0 1 61 1 0 0 0 0 3 62 1 0 0 0 0 3 63 1 0 0 0 0 9 64 1 0 0 0 0 11 65 1 0 0 0 0 11 66 1 0 0 0 0 13 67 1 0 0 0 0 13 68 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 18 71 1 0 0 0 0 18 72 1 0 0 0 0 19 73 1 0 0 0 0 19 74 1 0 0 0 0 20 75 1 0 0 0 0 20 76 1 0 0 0 0 21 77 1 0 0 0 0 21 78 1 0 0 0 0 22 79 1 0 0 0 0 22 80 1 0 0 0 0 23 81 1 0 0 0 0 23 82 1 0 0 0 0 24 83 1 0 0 0 0 25 84 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 37103 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 39108 1 0 0 0 0 39109 1 0 0 0 0 40110 1 0 0 0 0 40111 1 0 0 0 0 41112 1 0 0 0 0 41113 1 0 0 0 0 42114 1 0 0 0 0 42115 1 0 0 0 0 43116 1 0 0 0 0 43117 1 0 0 0 0 44118 1 0 0 0 0 44119 1 0 0 0 0 45120 1 0 0 0 0 45121 1 0 0 0 0 46122 1 0 0 0 0 46123 1 0 0 0 0 47124 1 0 0 0 0 47125 1 0 0 0 0 48126 1 0 0 0 0 48127 1 0 0 0 0 49128 1 0 0 0 0 49129 1 0 0 0 0 50130 1 0 0 0 0 50131 1 0 0 0 0 51132 1 0 0 0 0 51133 1 0 0 0 0 52134 1 0 0 0 0 52135 1 0 0 0 0 53136 1 0 0 0 0 53137 1 0 0 0 0 58138 1 0 0 0 0 59139 1 0 0 0 0 M END > BMDB0096754 > bmdb > [H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,39-40,43H,3-12,14,16-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13-/t39-,40+/m0/s1 > DYONCWMMYJGWET-KZUSSCLUSA-N > C42H82O13P2 > 857.0402 > 856.523065734 > 8 > 139 > 98.75854778591327 > 0 > 4 > 0 > 0 > [(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphonic acid > 7.50 > 12.229838491333332 > -6.20 > 0 > 0 > -3 > 2.0402061436989327 > 1.354879296415124 > -3.410499386302644 > 195.35 > 225.70240000000007 > 45 > 0 > 5.36e-04 g/l > (2S)-2-hydroxy-3-{[hydroxy((2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy)phosphoryl]oxy}propoxyphosphonic acid > 0 > BMDB0096754 > PGP(18:1(11Z)/18:0) $$$$