HMDB0289137 RDKit 3D PC(DiMe(13,5)/PGE2) 156157 0 0 0 0 0 0 0 0999 V2000 6.1327 1.8190 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 0.7734 -1.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -0.0905 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7621 -1.1701 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 -0.6252 -2.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7203 0.2591 -1.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 1.5711 -1.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6814 2.0205 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 3.4586 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 3.8243 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 5.2408 -1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 6.2810 -1.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8953 6.5164 -1.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 7.6054 -2.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 7.5454 -3.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 6.3883 -4.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 5.0927 -4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 3.9877 -5.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 2.7325 -5.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9644 1.5752 -5.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0989 0.4248 -6.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 0.1786 -7.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.4453 -5.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -1.4808 -5.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7729 -2.4231 -4.5461 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9432 -1.8974 -3.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -1.0386 -2.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2298 -0.6958 -2.0665 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3535 -1.2746 -0.6774 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4508 -1.4509 -2.9984 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5941 0.9343 -2.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6338 1.1923 -1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9802 2.6407 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0586 2.9016 -0.1902 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.3216 2.7115 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0248 1.9916 0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9946 4.2871 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 -3.1615 -3.7113 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 -4.5202 -3.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5623 -5.0769 -4.6623 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0199 -5.4475 -3.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 -5.9907 -1.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 -7.0236 -1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4299 -6.5772 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7703 -6.6533 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -7.1667 1.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7495 -6.1975 2.8976 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0753 -5.7732 3.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 -6.5685 3.9551 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -4.3070 3.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1222 -3.8820 2.4416 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5896 -3.8892 1.1238 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 -4.9180 2.5720 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0866 -4.6048 3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0714 -3.5509 4.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9859 -3.3513 5.4599 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4172 -3.1199 6.7035 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -2.3131 5.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4964 -0.9672 4.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -0.1236 5.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 0.3471 6.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 -0.6297 7.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 0.9612 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 0.9811 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 -0.1570 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3931 -1.5230 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 1.9541 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 2.7573 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1723 1.4059 -0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9373 0.1122 -2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 1.2357 -2.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3658 -0.5994 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9736 0.6031 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -1.7655 -0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4195 -1.8681 -1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 -1.4456 -2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -0.0404 -2.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 4.0242 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 3.4978 0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7776 3.2411 -0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 3.4088 -2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3788 5.3897 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4154 5.5816 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 7.2728 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 6.2239 -2.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 6.8775 -0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 5.6759 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9814 8.5819 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5589 7.7208 -1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 7.8122 -4.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 8.4525 -4.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 6.6236 -5.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1714 6.1633 -4.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4385 5.2411 -5.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 4.7332 -3.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 4.3093 -6.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 3.7629 -4.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3553 3.0495 -5.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 2.4895 -4.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 1.3632 -5.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 1.9446 -6.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9977 -0.9452 -6.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -1.9775 -6.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2901 -3.2220 -5.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5611 -2.7386 -3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 -1.4072 -4.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5416 0.5908 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3066 0.9032 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1534 3.3033 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3598 2.9541 -2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6166 1.6403 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0993 3.1914 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 3.1992 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8003 2.3063 1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 1.9919 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3082 0.9670 0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9566 4.6080 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 4.9165 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 4.3693 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -4.9405 -2.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -6.3128 -3.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -6.4882 -2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 -5.1899 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -7.4286 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 -7.9139 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1998 -6.1512 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 -6.3032 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -8.0021 2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0374 -7.6774 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 -6.7475 3.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 -4.1177 2.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 -3.7691 4.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 -2.8630 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5694 -3.8829 1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4856 -5.0826 1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 -5.3326 3.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8408 -2.8048 4.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5365 -4.3133 5.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 -3.4683 7.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 -2.7150 4.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -2.4063 5.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8682 -0.9943 3.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4003 -0.3715 4.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5007 0.8261 5.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -0.5280 6.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5258 0.9400 6.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 1.1200 7.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5435 -0.0345 8.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 -1.3230 8.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1203 -1.1299 7.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 0.1990 1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 0.8263 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 2.0037 1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 -1.7116 0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9954 -2.2375 -0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -1.7528 -0.2990 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 8 63 2 0 63 64 1 0 63 65 1 0 65 66 1 0 65 6 2 0 53 47 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 20101 1 0 24102 1 0 24103 1 0 25104 1 6 26105 1 0 26106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 35111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 37119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 1 50131 1 0 50132 1 0 51133 1 1 52134 1 0 53135 1 6 54136 1 0 55137 1 0 56138 1 1 57139 1 0 58140 1 0 58141 1 0 59142 1 0 59143 1 0 60144 1 0 60145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 62150 1 0 64151 1 0 64152 1 0 64153 1 0 66154 1 0 66155 1 0 66156 1 0 M CHG 2 30 -1 34 1 M END