HMDB0281451 RDKit 3D PS(6 keto-PGF1alpha/18:1(11Z)) 138138 0 0 0 0 0 0 0 0999 V2000 12.7083 3.1626 3.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8405 1.7700 2.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1690 1.8986 1.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0940 2.6392 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7367 2.0060 0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7768 0.5996 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4547 -0.0009 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7721 -0.4118 -0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 -0.3083 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5098 0.4929 -3.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1949 0.0602 -3.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1012 -0.0909 -2.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8606 -0.4593 -3.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 -0.6517 -2.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 0.5951 -1.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1573 0.6369 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 0.5159 -1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 -0.7173 -2.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -0.8236 -3.4658 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2247 -1.8822 -1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 -3.1082 -2.0871 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5305 -3.5343 -1.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 -3.6811 -0.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1453 -2.7325 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8459 -1.5574 0.0466 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 -3.0460 1.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 -1.7947 2.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9282 -0.9512 1.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2767 -1.6833 1.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 -0.7486 1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4428 -0.9547 1.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 0.3927 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0168 1.3189 0.1330 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4519 2.4386 -0.7514 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3163 2.0116 -1.4232 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5098 2.7161 -1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0849 1.3158 -2.0212 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1494 0.5681 -2.7732 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 0.7437 -0.6319 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4079 1.0761 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4200 1.7846 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6459 2.0624 0.4676 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4547 1.7964 1.8015 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9453 3.5505 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1347 3.9972 0.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5344 5.3983 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5498 6.4404 1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2774 6.4948 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -4.2226 -1.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 -4.5132 -0.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9753 -5.8021 -0.1491 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1647 -7.0825 0.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 -5.9564 -1.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9591 -5.5582 1.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2481 -6.0310 0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -5.8299 2.1711 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6133 -6.5247 3.3284 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -4.3687 2.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6866 -3.6226 1.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -3.8679 3.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6395 3.4913 3.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3081 3.8805 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0422 3.1461 4.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6945 1.2898 3.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9301 1.1906 3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1177 2.4578 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2814 0.8983 1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0014 3.6631 1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4330 2.7467 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 2.5833 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4003 1.9313 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4522 0.0097 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2714 0.6658 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9563 -0.1392 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -0.8552 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3451 0.0554 -2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3394 -1.4100 -2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4063 1.5828 -2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1773 0.7167 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -0.9382 -4.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8224 0.8274 -4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9512 0.8348 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2621 -0.9801 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6692 0.4259 -4.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1233 -1.3613 -4.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 -1.4977 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8544 -1.0670 -3.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2081 1.4029 -2.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 0.8673 -1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2205 1.5404 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2682 -0.2127 -0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0817 0.5679 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 1.4205 -2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 -2.9150 -3.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 -4.5284 -2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1489 -2.8456 -2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 -3.6236 2.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 -3.6873 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 -1.1538 2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 -1.9979 3.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7228 -0.6059 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0285 -0.0092 2.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5341 -2.1124 2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1039 -2.5350 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4293 0.0512 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0873 1.0231 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3591 1.8556 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1836 3.3346 -0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 2.0922 -2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2723 3.3690 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0559 3.0876 -2.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0176 1.4021 -2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6033 0.2187 -3.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1120 -0.3596 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5397 0.7138 1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3900 2.1872 -1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4779 1.4686 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6085 2.1292 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1008 3.6671 -0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0294 4.0452 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9896 3.8795 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9713 3.2787 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8360 5.4672 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5239 5.6129 1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3361 6.5114 2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0636 7.4441 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0550 7.5601 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2186 5.9029 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4358 6.2160 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 -3.8887 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6483 -5.1404 -2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -6.4669 -2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 -5.4620 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 -7.1014 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1748 -6.2195 1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 -6.1281 3.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5779 -7.5416 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 -3.8958 4.0193 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 2 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 1 0 15 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 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 21 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 2 0 58 60 1 0 39 33 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 21 94 1 6 22 95 1 0 22 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 32105 1 0 32106 1 0 33107 1 1 34108 1 1 35109 1 0 36110 1 0 36111 1 0 37112 1 6 38113 1 0 39114 1 6 40115 1 0 41116 1 0 42117 1 6 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 53132 1 0 55133 1 0 55134 1 0 56135 1 6 57136 1 0 57137 1 0 60138 1 0 M END