HMDB0260806 RDKit 3D PE(15:0/6 keto-PGF1alpha) 128128 0 0 0 0 0 0 0 0999 V2000 15.2705 3.9184 0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8173 3.0694 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 3.5866 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4208 3.5658 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1779 2.1595 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7096 1.2536 -0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5040 -0.1175 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9931 -1.1294 -0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6546 -0.6755 -1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 -0.4875 -0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3385 -0.0177 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.2078 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 -1.0162 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3924 -2.1208 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 -1.5586 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1307 -1.2291 -1.7401 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 -1.4072 0.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7947 -0.8761 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 -0.8407 0.8958 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6033 -2.2566 1.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8362 -2.7991 1.7708 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6091 -4.3393 2.3715 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7339 -4.7233 3.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1807 -4.4488 3.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 -5.5399 1.2025 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -5.4174 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 -6.5493 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 -6.4971 -1.4414 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4103 -0.2774 0.5285 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 0.7968 1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 1.1971 2.2186 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 1.4789 0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3517 0.6568 1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4355 -0.6186 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6597 -1.4097 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8952 -0.6177 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2666 -0.0257 1.9458 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6446 -0.5379 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8856 0.3465 -0.1210 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4773 1.7342 0.3125 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2856 2.0574 -0.2797 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5800 2.6329 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7064 2.0510 -1.6376 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6313 2.4980 -2.3906 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6253 0.5326 -1.3891 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9736 -0.0261 -1.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5995 -0.6853 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9979 -1.2073 -0.7518 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.0253 -2.5046 -0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9798 -0.3259 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8423 1.0924 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7775 2.0469 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5605 3.4261 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4922 4.4374 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9751 3.5197 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3741 3.9763 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8774 4.9381 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5709 3.1895 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7907 1.9852 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6649 4.6387 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2604 3.0167 -1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6806 4.2637 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4844 3.9182 -0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4021 2.2367 1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0617 1.6898 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4704 1.2112 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8006 1.7026 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8402 -0.0895 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4914 -0.4766 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6746 -1.3145 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8057 -2.0709 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3031 -1.5559 -2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7495 0.1634 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5206 -1.4576 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9323 0.2605 0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5176 0.9693 -1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9518 -0.7082 -1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7142 0.9975 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4046 0.6184 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.3561 1.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1937 -0.7294 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 -2.4485 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1128 -2.9420 0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 0.1613 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 -1.4722 -1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2577 -0.2291 1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 -2.2377 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -2.8625 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -4.2571 2.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 -4.4325 -0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5992 -5.5230 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -7.5189 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -6.5165 -1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 -6.2853 -0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3644 -5.6722 -2.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 2.4625 1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2505 1.7104 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 1.2174 1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1585 0.3411 2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -1.1955 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -0.4002 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4308 -1.7221 2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6897 -2.3278 0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0293 -0.1130 -1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9922 -1.5632 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4305 -0.1169 0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4445 1.8725 1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8265 2.7121 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2459 3.6744 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4899 2.4215 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6496 2.3385 -2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2335 3.3186 -2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0024 0.1311 -2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5453 0.0987 -2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1917 -0.8951 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2572 -1.1588 -1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2646 -2.9868 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7392 -0.3801 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9969 -0.6945 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7985 1.4306 -0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9903 1.1335 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8174 1.7327 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6788 2.0721 1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6152 3.4135 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5166 3.7682 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3764 3.8442 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0793 4.9269 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7942 5.1700 -0.5715 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 1 0 15 16 2 0 15 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 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 19 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 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 45 39 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 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 18 84 1 0 18 85 1 0 19 86 1 1 20 87 1 0 20 88 1 0 24 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 38104 1 0 38105 1 0 39106 1 1 40107 1 1 41108 1 0 42109 1 0 42110 1 0 43111 1 6 44112 1 0 45113 1 6 46114 1 0 47115 1 0 48116 1 6 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 54128 1 0 M END