HMDB0270830 RDKit 3D PG(PGE1/a-17:0) 136136 0 0 0 0 0 0 0 0999 V2000 8.8066 -1.0282 -5.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5534 -1.5325 -4.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -0.4623 -4.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 -0.6049 -4.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9052 -0.7526 -2.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4105 -1.9703 -2.2016 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8367 -3.0654 -2.8991 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8896 -2.1421 -0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.6961 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 -1.8142 1.6898 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9172 -0.4759 2.3437 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9160 -0.1965 3.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 -0.4456 2.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 -1.4669 2.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 -1.4281 1.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -2.5647 1.9355 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8338 -3.4464 3.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 -4.1464 3.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 -5.0838 2.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 -5.7550 2.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3107 -4.7713 2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6312 -5.5238 2.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8047 -4.6363 2.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1105 -3.9412 3.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5618 -4.5747 1.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6537 -3.9156 0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5096 -2.4408 0.6773 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1093 -1.6783 1.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1224 -0.2877 1.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6763 0.5365 2.9990 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5313 -0.4415 4.1567 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2261 1.3454 2.7901 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8959 1.6596 3.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 2.9271 3.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4367 3.9923 3.5310 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9697 3.7769 4.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7609 5.3310 3.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6933 5.4335 4.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7954 -1.9590 0.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0036 -1.5179 -1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9845 -1.5845 -1.8046 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3340 -1.0403 -1.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4306 -0.7469 -2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5164 0.3160 -3.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7145 1.6486 -2.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8472 2.7068 -3.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 2.4427 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9115 2.2604 -1.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3976 2.0026 -1.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9313 1.8201 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 1.5663 -0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 2.7109 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 2.3926 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 3.5565 -1.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 3.7748 -3.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0753 3.1554 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9475 4.2490 -2.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5672 -1.8119 -5.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4302 -0.8515 -6.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0998 -0.0877 -4.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2976 -2.4870 -5.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9355 -1.7081 -3.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 -0.2219 -5.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0161 0.5008 -4.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6628 -1.4674 -4.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 0.3466 -4.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 -0.7092 -2.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2795 0.1951 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4815 -2.1225 -2.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -2.8901 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -2.6631 -0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 -1.1515 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8642 -2.3653 2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 0.2842 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4894 -0.1548 4.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0471 0.5378 2.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6713 -0.8294 4.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4394 -3.1804 1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0523 -2.8428 4.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 -4.1909 3.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 -3.3605 3.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 -4.7092 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 -4.6527 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 -5.9160 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8288 -6.4049 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6849 -6.4274 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -4.0761 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -4.1815 3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6037 -6.1027 3.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 -6.2962 1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -4.4397 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4399 -3.9567 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7423 -2.3636 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0033 -1.8746 2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6938 -1.8405 2.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8852 1.7235 3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 3.1925 2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 3.0106 4.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2539 3.9394 2.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6641 3.0833 4.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 6.0905 3.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 5.5746 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 6.4165 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5797 -0.0872 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1254 -1.8134 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4868 -0.4702 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1812 -1.6773 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4680 0.0187 -3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7526 0.4399 -4.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6126 1.5171 -1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7854 1.9467 -2.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1333 2.9073 -4.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0284 3.6726 -2.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 3.3218 -3.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0984 1.5129 -3.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 1.3949 -1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0989 3.1432 -1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8818 2.7791 -2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2848 1.0514 -2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1966 2.6475 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3945 0.8790 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 0.6060 -1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1658 1.4190 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1603 3.6082 -0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 3.0289 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0712 1.5114 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1351 2.1608 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4361 4.5041 -1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 4.2590 -3.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0519 2.7726 -3.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2652 4.3645 -3.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 2.8776 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1118 2.2535 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8183 4.3972 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 5.1687 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3611 3.9104 -3.1831 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 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 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 27 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 16 10 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 1 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 1 11 74 1 6 12 75 1 0 13 76 1 0 13 77 1 0 16 78 1 6 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 6 28 94 1 0 28 95 1 0 32 96 1 0 34 97 1 0 34 98 1 0 35 99 1 6 36100 1 0 37101 1 0 37102 1 0 38103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 57136 1 0 M END