Mrv1652303252017112D 139138 0 0 1 0 999 V2000 21.8885 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2134 -3.5728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5382 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5636 -3.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8631 -3.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6865 -4.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2387 -3.1830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.8490 -2.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6285 -3.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9139 -2.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5889 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2641 -2.7932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9392 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8012 -4.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5770 -2.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8404 -2.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6520 -2.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0024 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7169 -3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4314 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1459 -3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8603 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5749 -3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2893 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0038 -3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7183 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4327 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1472 -3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8617 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5763 -3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2907 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0052 -3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7197 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4341 -3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1486 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1486 -2.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 -4.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1114 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8258 -4.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5404 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2548 -4.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9693 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6838 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3983 -4.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1128 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8273 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5417 -4.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2562 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9707 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6852 -4.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3997 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1142 -4.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8287 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5431 -4.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2576 -4.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9721 -4.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9721 -5.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3171 -3.1211 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.0572 -3.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6817 -2.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9525 -3.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5479 -2.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2783 -2.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9591 -2.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2696 -2.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4149 -4.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3803 -4.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0593 -3.9464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6400 -3.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3762 -3.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8179 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1151 -2.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 -2.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 -3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5286 -4.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 -4.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9488 -2.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7099 -2.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 -4.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5096 -4.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5177 -2.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2780 -2.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3080 -4.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1543 -4.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9409 -2.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6104 -2.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6575 -4.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5454 -4.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5455 -2.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5356 -2.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5454 -4.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6108 -4.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4638 -2.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2520 -2.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4053 -4.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9216 -4.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9115 -2.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6261 -2.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8527 -4.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3737 -4.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3202 -2.1699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0044 -2.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3044 -4.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8299 -4.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 -4.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 -5.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5164 -5.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4696 -3.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1175 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -5.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1079 -5.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1713 -3.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6949 -3.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8749 -5.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5880 -5.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7231 -3.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0301 -3.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0798 -5.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7760 -5.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5935 -3.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0331 -3.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2473 -5.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9211 -5.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6908 -3.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0115 -3.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3015 -5.7038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0349 -5.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0248 -3.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5502 -3.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7457 -5.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5135 -5.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4698 -3.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9911 -3.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2550 -5.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9759 -5.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9168 -3.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4479 -3.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5345 -2.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6438 -4.4522 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 1 0 0 0 0 26 25 1 0 0 0 0 27 26 2 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 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 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 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 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 6 1 0 0 0 0 56 57 2 0 0 0 0 59 58 2 0 0 0 0 60 58 1 0 0 0 0 61 58 1 0 0 0 0 15 58 1 0 0 0 0 1 62 1 0 0 0 0 1 63 1 0 0 0 0 3 64 1 0 0 0 0 3 65 1 0 0 0 0 9 66 1 0 0 0 0 11 67 1 0 0 0 0 11 68 1 0 0 0 0 13 69 1 0 0 0 0 13 70 1 0 0 0 0 17 71 1 0 0 0 0 18 72 1 0 0 0 0 18 73 1 0 0 0 0 18 74 1 0 0 0 0 19 75 1 0 0 0 0 19 76 1 0 0 0 0 20 77 1 0 0 0 0 20 78 1 0 0 0 0 21 79 1 0 0 0 0 21 80 1 0 0 0 0 22 81 1 0 0 0 0 22 82 1 0 0 0 0 23 83 1 0 0 0 0 23 84 1 0 0 0 0 24 85 1 0 0 0 0 24 86 1 0 0 0 0 25 87 1 0 0 0 0 25 88 1 0 0 0 0 26 89 1 0 0 0 0 27 90 1 0 0 0 0 28 91 1 0 0 0 0 28 92 1 0 0 0 0 29 93 1 0 0 0 0 29 94 1 0 0 0 0 30 95 1 0 0 0 0 30 96 1 0 0 0 0 31 97 1 0 0 0 0 31 98 1 0 0 0 0 32 99 1 0 0 0 0 32100 1 0 0 0 0 33101 1 0 0 0 0 33102 1 0 0 0 0 34103 1 0 0 0 0 34104 1 0 0 0 0 37105 1 0 0 0 0 37106 1 0 0 0 0 37107 1 0 0 0 0 38108 1 0 0 0 0 38109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 40112 1 0 0 0 0 40113 1 0 0 0 0 41114 1 0 0 0 0 41115 1 0 0 0 0 42116 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 46121 1 0 0 0 0 47122 1 0 0 0 0 47123 1 0 0 0 0 48124 1 0 0 0 0 49125 1 0 0 0 0 50126 1 0 0 0 0 50127 1 0 0 0 0 51128 1 0 0 0 0 51129 1 0 0 0 0 52130 1 0 0 0 0 52131 1 0 0 0 0 53132 1 0 0 0 0 53133 1 0 0 0 0 54134 1 0 0 0 0 54135 1 0 0 0 0 55136 1 0 0 0 0 55137 1 0 0 0 0 60138 1 0 0 0 0 61139 1 0 0 0 0 M END > BMDB0096767 > 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])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[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])=C(\[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] > InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,41-42,45H,3-10,12,14-16,20,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,19-17-,21-18-,24-22-/t41-,42+/m0/s1 > LFCGFJLJGGGPTB-IAJJUIBGSA-N > C44H80O13P2 > 879.0457 > 878.50741567 > 8 > 139 > 98.51267990025258 > 0 > 4 > 0 > 0 > [(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid > 7.67 > 12.033210851333333 > -6.23 > 0 > 0 > -3 > 2.0402061436989327 > 1.354879296415124 > -3.410499386302644 > 195.35 > 238.25420000000008 > 44 > 0 > 5.16e-04 g/l > (2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy)phosphoryl]oxy}propoxyphosphonic acid > 0 > BMDB0096767 > PGP(18:1(9Z)/20:3(8Z,11Z,14Z)) $$$$