HMDB0289034 RDKit 3D PC(DiMe(11,5)/PGE2) 150151 0 0 0 0 0 0 0 0999 V2000 -8.9620 -7.2979 -1.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4723 -7.4064 -1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6523 -7.2115 -2.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8481 -5.8898 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4478 -4.6693 -2.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0138 -4.4947 -2.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2423 -3.7307 -3.0324 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0178 -3.7089 -2.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8398 -2.9916 -3.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 -1.7472 -2.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 -1.1013 -3.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0807 0.1566 -2.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2421 0.8763 -2.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5465 2.1189 -2.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 2.8973 -2.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9816 4.1486 -1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1102 4.8720 -2.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 6.1374 -1.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9474 5.9419 -0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 6.3377 -0.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 5.3725 0.5185 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8936 5.3030 1.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9892 4.5937 2.7532 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0338 3.1216 2.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.5205 1.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6574 0.8134 1.6741 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3878 0.4551 3.1188 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5209 0.0741 0.7050 O 0 0 0 0 0 1 0 0 0 0 0 0 5.2404 0.5572 1.2326 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 -0.4882 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9341 -0.6275 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2323 -1.6987 -0.8581 N 0 0 0 0 0 4 0 0 0 0 0 0 8.3840 -1.2694 -1.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2004 -2.0489 -1.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 -2.8997 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7569 5.2129 2.8654 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3509 5.8371 4.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1584 5.8264 5.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0835 6.5279 4.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3215 6.9596 3.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1118 5.8145 2.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 6.2862 0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1167 5.9208 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 5.0211 1.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3129 3.7586 0.9821 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2661 4.2098 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8073 5.2705 -0.2768 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3755 3.0002 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9373 2.5089 -1.0068 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3554 3.0331 -2.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 3.0230 0.2409 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5984 1.9188 0.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 1.6042 2.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 0.4997 2.9715 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2348 -0.0021 3.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 -0.6702 2.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 -1.6792 3.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2367 -2.9078 2.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -3.8275 3.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 -5.1151 2.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9432 -4.4884 -1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7806 -4.8091 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2349 -4.9977 -1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5918 -5.8661 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5621 -7.9193 -0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2995 -6.2374 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1944 -7.6011 -2.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2014 -6.6979 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2881 -8.4370 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6248 -7.5082 -2.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0634 -7.9905 -3.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4028 -5.9473 -4.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9639 -5.7947 -3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 -3.7717 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0525 -4.6443 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 -2.7702 -4.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 -3.6885 -3.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3394 -1.9062 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3695 -1.0541 -2.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 -1.8495 -3.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5329 -0.8550 -4.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4433 -0.2086 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 0.7963 -2.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.1898 -2.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 1.1317 -4.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6377 2.7790 -2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7516 1.8977 -1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 2.2754 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 3.2108 -3.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 4.7558 -1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 3.7658 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0094 4.2183 -2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 5.1270 -3.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 6.8178 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1971 6.7377 -2.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0809 6.3099 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8590 4.7735 1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 4.7967 3.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 2.7071 3.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 2.8283 2.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1449 -1.4261 0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8123 -0.4013 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2098 0.3362 -0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5105 -0.7194 0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 -1.5052 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3952 -1.7567 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3477 -0.1752 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 -2.8083 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6836 -1.1500 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6912 -2.5269 -2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1089 -3.6156 -0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4668 -2.6824 0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8318 -3.4063 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3969 5.8908 4.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 7.4455 4.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 7.6586 2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 7.5836 3.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 5.4033 1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 5.0198 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 6.9730 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6747 6.2987 -0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4221 4.8242 2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8097 5.5684 1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 3.1969 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0169 2.2200 -0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7074 3.2065 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 1.4047 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7491 2.5449 -2.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4544 3.7254 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8101 1.3088 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 2.1598 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4072 0.8405 3.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9264 -0.0711 4.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -1.1989 1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -0.4133 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 -1.2196 3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9728 -1.9299 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -2.6587 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5091 -3.4350 1.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6962 -3.3354 3.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 -4.0039 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3927 -5.0575 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6912 -5.3167 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 -5.9900 3.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5015 -5.8856 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9026 -4.2035 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 -4.6300 0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7334 -6.9106 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4832 -5.4179 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7642 -5.7769 0.6639 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 2 0 19 21 1 0 21 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 8 61 2 0 61 62 1 0 61 63 1 0 63 64 1 0 63 6 2 0 51 45 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 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 18 94 1 0 18 95 1 0 22 96 1 0 22 97 1 0 23 98 1 1 24 99 1 0 24100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 33105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 35113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 1 48125 1 0 48126 1 0 49127 1 6 50128 1 0 51129 1 6 52130 1 0 53131 1 0 54132 1 1 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 62145 1 0 62146 1 0 62147 1 0 64148 1 0 64149 1 0 64150 1 0 M CHG 2 28 -1 32 1 M END