HMDB0299199 RDKit 3D DG(6 keto-PGF1alpha/0:0/i-16:0) 118118 0 0 0 0 0 0 0 0999 V2000 13.8255 -2.8733 -1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7079 -1.4677 -1.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3701 -0.4708 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0555 -0.8021 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9286 -0.7908 -1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6036 -1.1228 -0.5061 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6001 -1.0866 -1.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3095 -0.2534 0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4396 0.7554 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2087 1.5590 1.8410 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5150 3.0408 1.5943 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8651 3.2711 1.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9496 3.7205 2.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 2.7021 3.5144 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8860 2.0377 4.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8305 1.6498 2.3856 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1755 0.4615 2.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -0.6299 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8612 -1.5410 1.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8876 -0.7759 1.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0039 0.0783 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -0.1469 -1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 0.0923 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4448 -0.1119 -1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8004 -0.1876 -2.7982 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.2113 -1.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9153 -0.3693 -2.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 0.8723 -2.9617 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0520 1.3127 -3.6916 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4024 0.8216 -3.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 0.2767 -2.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8783 0.7137 -1.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 1.7116 -1.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9997 -0.0448 -1.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 -1.3232 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3479 -2.2635 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0702 -1.9720 1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0421 -0.8508 1.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1588 -0.9368 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1390 0.2025 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8119 0.2537 1.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5657 -1.0301 2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6321 -1.2820 1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6436 -0.1714 0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6367 -0.5369 -0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6531 0.5905 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8660 1.8469 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6289 0.3534 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3170 -2.8326 -0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8040 -3.2467 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4565 -3.5351 -1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7441 -1.2087 -2.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0295 -1.4415 -2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1987 -0.4629 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3416 0.5421 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2002 -1.7776 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8883 0.0114 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8998 0.2155 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1936 -1.5323 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7115 -2.1660 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6894 -1.9239 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -0.4304 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9200 0.9487 -0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8839 1.2685 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9227 3.4101 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9860 3.6306 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4007 4.6467 2.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8411 4.0154 3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1528 3.0724 3.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 2.3954 4.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1526 2.2293 1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7374 0.0415 3.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1555 0.6654 3.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -1.8414 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -0.6106 1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0718 1.1525 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9177 -0.2254 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8787 -1.1526 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9654 0.5905 -1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 1.1488 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3091 -0.6332 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 -1.2016 -2.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 -0.6753 -1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3163 1.7142 -2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3797 2.1053 -3.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.2450 -4.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6146 1.8761 -4.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4268 0.6202 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7635 -0.3167 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 -1.1353 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9897 -1.8423 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1234 -2.6055 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -3.2669 0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3627 -1.8068 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6689 -2.9125 1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5926 -1.0342 2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5656 0.1256 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7212 -1.8903 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7180 -0.8980 -0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6797 1.1792 0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9060 0.0441 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0290 0.3663 2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4956 1.1143 1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8985 -1.8959 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0879 -0.8751 3.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2148 -1.5401 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1994 -2.1944 1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2325 0.8297 0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2312 -0.1497 1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1777 -1.4655 0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1760 -0.6125 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1852 0.7457 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8960 1.5922 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6816 2.3664 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4160 2.4742 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9556 -0.7043 -1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0626 0.5819 -2.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5064 1.0077 -1.2087 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 16 10 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 1 11 65 1 6 12 66 1 0 13 67 1 0 13 68 1 0 14 69 1 1 15 70 1 0 16 71 1 6 17 72 1 0 17 73 1 0 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 27 82 1 0 27 83 1 0 28 84 1 1 29 85 1 0 30 86 1 0 30 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 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 47113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 48118 1 0 M END