HMDB0261949 RDKit 3D PE(PGD2/20:1(11Z)) 138138 0 0 0 0 0 0 0 0999 V2000 14.3386 1.6106 1.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5528 1.0111 1.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5782 -0.4211 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8181 -1.1725 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3666 -1.3183 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5953 -0.1524 -0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 -0.4935 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4893 -0.9540 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1304 -1.3482 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0686 -1.4198 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0009 -1.0607 -1.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0118 -0.0157 -1.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5722 -0.1804 -1.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8199 -1.1946 -2.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 -2.6300 -2.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 -3.1847 -0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1119 -3.0359 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6934 -3.5584 0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 -2.7872 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 -1.3772 1.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2559 -0.5381 2.6021 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7137 -0.9982 1.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2011 0.3311 1.0110 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2017 0.2805 1.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 1.5212 1.4358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 1.5846 1.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6008 0.5090 2.4649 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 2.7955 1.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2998 2.7636 2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2551 1.7289 2.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6878 1.8272 0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9333 1.9771 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0725 2.0734 1.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1049 0.9612 1.1413 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.2179 1.1968 2.1204 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8727 2.2385 3.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4078 1.5850 1.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9030 1.8104 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3261 2.5728 -0.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7079 0.8747 -0.2173 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3073 -0.4306 -0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3594 -1.4917 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0010 -2.7831 -0.2647 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0056 -3.7336 -0.2338 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1382 -3.0995 0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8711 -4.3581 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5115 -4.4328 -0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5553 -3.3645 -1.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6850 -3.4447 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 1.0367 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9142 2.3474 -0.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 3.2026 -1.6053 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8368 2.4099 -2.8105 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 3.4608 -1.7046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 4.7337 -1.5949 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8353 5.4162 -2.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2672 6.7924 -2.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 7.6504 -1.7737 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5999 2.1818 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5797 0.8743 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8412 2.3827 1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3997 1.2041 1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8687 1.6345 0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3222 -0.9099 1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7049 -0.7818 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2488 -0.8625 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2962 -2.2580 -0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1717 -2.1791 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0241 -1.7030 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6735 0.7301 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8902 0.1422 -1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0959 -1.2144 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6669 0.4878 -1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8377 -0.2292 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1153 -1.8864 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8832 -1.6961 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1016 -1.7792 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6983 -1.9891 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9683 -0.7153 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2580 0.2905 -2.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3056 0.9003 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1043 0.8274 -1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3177 -0.1989 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9731 -0.9993 -3.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -1.0021 -2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -3.1278 -2.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 -3.1182 -2.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8015 -4.2811 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1858 -2.7949 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -3.6529 -1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 -2.0102 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5776 -3.4824 0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 -4.6280 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3533 -2.7225 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0423 -3.2620 2.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 0.9349 1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -0.0616 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7669 -0.4718 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 3.0915 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 3.6987 2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1026 2.5800 3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7281 3.7989 2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7676 0.7182 2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1354 1.6246 2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 1.7770 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1584 2.0333 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6352 3.0184 0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8952 2.1881 2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6277 -0.0172 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4562 0.2732 2.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9994 3.1199 2.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1236 0.7302 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9181 2.4928 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0929 1.3119 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7530 -0.5199 -1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9382 -1.4378 1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3138 -2.6262 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2995 -4.6495 -0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8045 -2.2174 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6775 -3.2557 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1266 -5.1941 0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6182 -4.5489 1.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8011 -4.4394 -1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0659 -5.4124 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0055 -3.6133 -2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1219 -2.3569 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7771 -2.4706 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5946 -4.2906 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6801 -3.5675 -0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5162 1.0394 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 0.5676 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1645 3.7523 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 4.8097 -3.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 5.5069 -2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 6.8092 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 7.2584 -3.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 8.4041 -1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 8.1164 -2.0828 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 2 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 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 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 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 40 34 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 1 24 97 1 0 24 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 1 35110 1 1 36111 1 0 37112 1 0 37113 1 0 40114 1 6 41115 1 0 42116 1 0 43117 1 6 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 54132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 M END