HMDB0280827 RDKit 3D PS(14:0/6 keto-PGF1alpha) 128128 0 0 0 0 0 0 0 0999 V2000 -13.8652 5.8656 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8453 5.0437 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7876 3.6082 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7010 2.9625 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3967 1.5093 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1762 1.1420 0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6720 -0.2400 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2569 -0.2140 1.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5739 0.8389 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3723 0.0676 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0150 -0.6596 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9916 0.4748 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1174 0.7408 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3745 -0.5332 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 -1.4852 -0.5006 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -0.5472 1.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 -1.5845 1.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 -1.8094 1.0376 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0909 -3.1256 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 -3.9416 1.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7272 -5.1459 1.0734 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1143 -5.4107 1.9035 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5512 -4.4909 -0.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3058 -6.6572 0.7006 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0543 -6.7910 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9382 -7.9442 -1.1485 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3571 -7.5071 -1.0075 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8299 -9.1418 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7111 -9.5128 0.0998 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9534 -9.8700 -0.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2142 -0.6664 0.7659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0291 -0.0295 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4134 -0.6477 -1.5058 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 1.2850 -0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 1.4100 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 0.6907 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -0.7822 0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -0.7414 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -1.0585 -1.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 -0.3053 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 0.3673 -0.8275 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3553 1.5199 -1.4218 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9322 2.3720 -0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5254 2.3153 -2.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3232 2.5435 -0.7941 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7750 3.4898 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1939 1.1365 -0.0778 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5890 0.7172 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0876 0.4105 1.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5992 0.0513 1.2404 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9217 -0.6515 0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1003 1.4453 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4278 1.9787 1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0430 1.8120 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3530 2.5928 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0619 4.0716 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8448 5.3722 -0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5587 6.0769 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9331 6.8361 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0397 4.9298 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8133 5.4330 -0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7268 3.0887 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4757 3.6696 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0421 2.8278 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7764 3.5402 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1322 1.5576 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2076 0.8427 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4973 1.9734 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5566 1.0293 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2564 -1.0483 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6637 -0.4445 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7839 -1.1721 0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2824 0.0948 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2319 1.6593 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6905 1.1438 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0798 -0.7855 -1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3257 0.6867 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -1.0078 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9468 -1.4381 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5029 1.4441 -1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3569 0.2396 -2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5155 1.2370 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2819 1.4540 -0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 -2.5230 2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 -1.2878 2.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3062 -2.1065 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 -2.9044 2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3987 -3.5356 0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -4.1968 -0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 -7.2447 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 -5.9390 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 -8.1206 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6566 -7.5766 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6397 -6.7294 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9073 -9.5845 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 1.7715 -1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0483 1.9493 0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 2.4871 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 1.0447 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3791 1.1742 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7212 0.6860 1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2045 -1.2274 1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -1.3691 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8912 -1.2743 0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3452 0.2235 1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5209 -0.2600 -1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 1.2071 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1271 2.0688 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0336 1.5833 -2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1573 3.2116 -2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 2.6909 -1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 4.2924 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.3739 0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2758 0.6276 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5770 0.3943 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7618 -0.5627 2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1427 -0.1643 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4516 2.0210 0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 1.8416 2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0947 1.5356 2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 3.1032 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3607 2.2273 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2852 0.7567 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0006 2.2532 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7680 2.5311 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1583 4.3902 -0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9163 4.6350 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8953 4.3167 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 2 0 28 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 47 41 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 17 84 1 0 17 85 1 0 18 86 1 6 19 87 1 0 19 88 1 0 23 89 1 0 25 90 1 0 25 91 1 0 26 92 1 6 27 93 1 0 27 94 1 0 30 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 40104 1 0 40105 1 0 41106 1 6 42107 1 6 43108 1 0 44109 1 0 44110 1 0 45111 1 6 46112 1 0 47113 1 1 48114 1 0 49115 1 0 50116 1 1 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 56128 1 0 M END