HMDB0269520 RDKit 3D PG(6 keto-PGF1alpha/20:1(11Z)) 144144 0 0 0 0 0 0 0 0999 V2000 -6.2640 -2.5096 -0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6200 -2.9153 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3243 -4.3731 0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8506 -4.7056 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6883 -6.1676 0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3004 -6.6933 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -6.4616 -0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -7.0686 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -6.8351 -2.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 -6.1565 -2.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -5.5769 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3644 -4.1337 -1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -3.3688 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 -3.2652 -3.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 -2.3644 -4.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 -2.2878 -5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8675 -1.4276 -6.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -0.0155 -6.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 0.5406 -5.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 1.9410 -5.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 2.6091 -5.4485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1535 2.4084 -4.4669 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 3.6957 -3.9350 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1946 3.5545 -2.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 2.9952 -2.2998 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 2.6771 -1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3985 2.8657 -0.0173 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3915 2.0964 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 1.5236 0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 0.3828 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0834 -0.2755 2.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4136 -0.8933 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2629 -0.7036 1.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 -1.7345 3.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -1.1719 4.5128 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6706 -0.5332 4.3985 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8431 0.1329 3.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8142 0.4157 5.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5194 0.3228 6.3351 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2108 1.6003 6.7929 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5104 -0.1475 5.2950 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3577 -0.8775 5.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1031 -0.5776 5.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 -1.2636 6.1432 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1957 -2.1432 7.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1121 -0.2507 6.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3072 -0.9963 7.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -1.8272 6.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -1.0274 4.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4968 0.0158 5.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 4.4084 -4.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8473 4.5697 -5.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3324 5.3583 -5.5419 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6237 5.7483 -6.9583 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5244 4.2111 -5.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 6.6723 -4.4935 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 6.4615 -3.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2038 7.5802 -2.4068 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0384 7.1446 -1.3618 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 8.0284 -1.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 8.4891 -2.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6673 -3.2594 -1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8322 -1.5549 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1996 -2.3154 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6864 -2.6840 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9697 -2.3264 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9441 -4.9929 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6560 -4.6349 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2783 -4.0525 1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5783 -4.4811 -0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3746 -6.6985 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0415 -6.3740 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3368 -7.7908 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -6.2258 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 -7.0169 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6523 -5.3958 -0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7715 -6.7602 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 -8.1893 -0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2652 -7.2410 -2.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 -6.1128 -3.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -5.9885 -1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 -6.0845 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3743 -3.6171 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9356 -3.9876 -0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -3.7431 -2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -2.3006 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 -4.1717 -3.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 -2.6629 -3.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 -2.9111 -4.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 -1.3735 -3.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 -2.0426 -5.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -3.3314 -6.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2492 -1.3545 -7.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.8689 -6.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5313 0.5596 -7.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 -0.0161 -5.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 -0.1039 -4.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 0.4762 -6.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7096 4.2968 -4.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1686 4.5534 -1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 2.9183 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1836 2.8607 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4652 1.2588 -1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8029 1.2800 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5901 2.3452 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 0.7313 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9716 -0.4131 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 -1.0160 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 0.5265 2.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7645 -2.2882 3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3623 -2.6150 2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5127 -2.0695 5.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5049 -1.2995 4.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7413 0.0299 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9758 1.4360 5.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6858 0.1243 6.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6216 -0.3956 7.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 1.8150 6.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2629 0.7253 4.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 -1.6985 6.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 0.2545 4.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4349 -1.7775 5.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -2.7907 7.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4086 0.2933 7.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 0.4513 5.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -0.2535 7.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -1.6581 8.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8717 -2.3327 6.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3484 -2.6285 5.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6907 -0.6098 4.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0565 -1.7435 4.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1581 0.3507 4.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 -0.3949 6.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0055 0.9043 5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 3.8225 -3.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4303 5.4125 -3.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1396 3.4882 -4.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 6.1425 -3.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6806 5.5725 -2.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7256 8.4842 -2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 6.7580 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3904 7.3099 -1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1039 8.9456 -1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 9.0471 -3.4409 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 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 41 35 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 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 34110 1 0 34111 1 0 35112 1 1 36113 1 1 37114 1 0 38115 1 0 38116 1 0 39117 1 1 40118 1 0 41119 1 6 42120 1 0 43121 1 0 44122 1 6 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 55137 1 0 57138 1 0 57139 1 0 58140 1 6 59141 1 0 60142 1 0 60143 1 0 61144 1 0 M END