HMDB0271352 RDKit 3D PG(i-14:0/PGF1alpha) 129129 0 0 0 0 0 0 0 0999 V2000 6.1923 -3.3376 2.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2317 -2.8156 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0442 -2.1326 2.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 -0.9516 2.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 0.1312 2.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3822 1.2733 3.1370 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1570 0.8087 4.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0062 1.6884 3.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2749 2.5141 2.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 2.9894 3.3043 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5009 2.5133 4.6362 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0943 2.6102 4.7911 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 3.4931 5.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 4.7033 4.7994 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1155 5.8993 5.3838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 4.4944 3.4259 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6477 5.1488 3.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0549 4.9184 1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 5.5751 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 5.0726 2.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 5.8005 2.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7247 5.3050 3.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9937 3.8676 3.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6156 3.2277 3.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5588 3.2129 1.9862 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 1.8583 1.7259 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4053 1.2544 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 1.9721 0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8538 1.6583 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 0.7219 -0.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 2.4342 -1.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 1.5685 -2.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0212 0.6599 -2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 -0.1761 -3.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 -1.0745 -3.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -2.0559 -2.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.9872 -2.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 -3.8092 -3.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 -4.6926 -4.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 -5.7016 -3.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7007 -6.5654 -3.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 -7.5409 -2.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -7.3239 -4.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5961 1.7581 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 0.4202 0.1694 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6653 0.1039 -1.2132 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0899 0.8997 -2.3826 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3142 0.4563 -1.0552 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5403 -1.5551 -1.6017 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3064 -1.8324 -2.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -3.2896 -2.5150 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3021 -4.0097 -1.3285 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2138 -3.6801 -3.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1223 -5.0343 -3.8434 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 -4.1692 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8631 -2.5146 2.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -3.7517 3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 -2.1899 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 -3.7200 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 -2.8905 2.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 -1.9019 1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9665 -1.3275 3.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4124 -0.5264 3.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4948 0.4859 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1112 -0.2528 1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 2.1030 2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6029 0.4651 4.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 1.3002 4.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 2.8696 1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 2.6630 2.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 1.4703 4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 2.7948 5.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9896 2.9834 6.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 3.7354 6.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6221 4.7179 4.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3988 5.8183 6.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6889 4.8814 2.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 4.8877 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 6.2460 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 3.8731 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 5.3790 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 5.4505 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 6.6868 1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0655 5.1845 3.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4592 3.9916 2.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9191 5.7075 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 6.8916 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4968 5.5979 4.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6379 5.9090 3.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2742 1.2841 2.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 1.3731 2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5245 0.1785 1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 3.0890 -1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 3.1556 -1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 2.2352 -3.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 0.9556 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2588 -0.1032 -1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 1.2549 -2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 0.5136 -4.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 -0.7844 -4.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 -0.4321 -3.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6179 -1.6248 -4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 -2.6067 -2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1872 -1.4903 -1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 -2.3650 -2.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -3.6104 -1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -3.1308 -4.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8001 -4.4395 -4.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1932 -5.1987 -5.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -4.0498 -4.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 -5.1238 -2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 -6.3297 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -5.9597 -3.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -8.4073 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8456 -7.8761 -1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -7.0204 -1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -7.8297 -4.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 -6.7243 -5.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 -8.1629 -4.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5032 2.3603 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 2.1748 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8428 -0.3509 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1535 -1.2271 -3.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5143 -1.5285 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1779 -3.5145 -2.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4277 -4.2572 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2437 -3.4846 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0689 -3.0765 -4.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 -5.5410 -3.1535 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 1 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 26 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 16 10 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 6 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 6 11 71 1 1 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 6 15 76 1 0 16 77 1 6 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 26 90 1 1 27 91 1 0 27 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 48122 1 0 50123 1 0 50124 1 0 51125 1 6 52126 1 0 53127 1 0 53128 1 0 54129 1 0 M END