HMDB0282762 RDKit 3D PS(PGE1/20:4(8Z,11Z,14Z,17Z)) 137137 0 0 0 0 0 0 0 0999 V2000 16.2813 2.7731 1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2922 2.5330 0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0649 2.1422 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9748 1.0322 -1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0122 -0.0503 -0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0791 -0.3154 -2.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7878 -0.1918 -1.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0970 0.2557 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3321 1.4986 -0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0548 1.6230 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2043 0.4982 -0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 0.8402 0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2397 0.8618 1.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3141 0.5603 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4796 -0.6536 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4634 -1.0558 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4703 0.0587 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7432 0.4606 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 1.5561 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 1.0705 -0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8022 1.2626 -2.0246 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 0.3782 -0.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4169 -0.0947 -1.1822 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7212 0.5691 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1899 0.3403 0.4648 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 0.6299 1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5397 1.2099 1.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3635 0.2638 2.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5416 -1.1871 3.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2906 -1.9859 2.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7131 -1.7737 1.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2059 -0.4854 1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7403 -0.5560 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2889 0.7314 0.6775 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0629 1.8826 1.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1110 1.9163 2.7649 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7452 3.0799 0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0801 2.4490 -0.5117 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7021 2.2764 -0.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7917 1.1686 -0.6907 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9794 1.2993 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3755 2.4159 -2.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6123 2.4090 -3.0140 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.3394 2.0142 -4.3015 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6684 1.5582 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0482 2.0647 -1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1223 1.2205 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7142 -0.2249 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8475 -1.0104 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 -1.5986 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -2.2372 -1.6006 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 -3.8941 -1.6164 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8322 -4.4110 -1.0983 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 -4.5365 -3.1769 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7605 -4.4851 -0.6453 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 -4.0417 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 -4.5068 1.6306 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6419 -5.9374 1.6961 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 -3.9337 2.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0734 -4.7106 3.9234 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 -2.5806 3.1515 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7846 2.5703 2.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1190 2.0662 1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6239 3.8221 1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5947 1.7812 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7721 3.5169 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7974 2.8885 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6124 0.8664 -2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6412 0.0127 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7034 -0.9830 -0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5411 -0.6491 -2.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2043 -0.4210 -2.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8280 0.4504 0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5287 -0.6116 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9395 2.3744 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5917 2.6082 -1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4873 0.2114 -1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8173 -0.4023 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1800 1.0811 1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7623 1.1227 2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6747 0.3059 -0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5573 1.4010 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0346 -0.4270 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 -1.5274 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 -1.2521 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 -1.9549 -0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9797 0.9147 -1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -0.3399 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 -0.4024 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 0.8838 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 1.9259 1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3012 2.4244 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 0.1830 -2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5359 0.2732 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 1.6873 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1753 0.9449 3.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6202 0.5600 3.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4819 -1.6149 3.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -1.3341 4.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -3.0869 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7774 -2.0272 1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0894 -2.5679 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3321 -2.0542 2.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 0.3336 2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8314 -0.3463 0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8972 -1.3273 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1744 -0.7971 2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4165 0.5950 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0794 3.7696 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6639 3.6110 0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1167 3.1339 -1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5941 2.3371 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1618 0.3727 -1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5735 0.3735 -1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8561 3.3501 -2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0158 3.4575 -3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3704 2.1014 -4.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4507 0.4949 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5952 1.7046 -3.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1642 2.0269 -0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4667 3.0926 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3188 1.6144 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0870 1.2862 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8094 -0.2972 0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5701 -0.6595 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8460 -0.5753 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8637 -2.0562 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7444 -1.0618 1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7945 -2.0209 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 -1.8653 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 -4.3166 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5184 -4.3795 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -2.9319 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 -4.0774 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -6.3524 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -6.3549 2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8252 -1.9015 2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 2 0 59 61 1 0 40 34 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 6 37109 1 0 37110 1 0 38111 1 6 39112 1 0 40113 1 6 41114 1 0 42115 1 0 43116 1 6 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 54131 1 0 56132 1 0 56133 1 0 57134 1 6 58135 1 0 58136 1 0 61137 1 0 M END