HMDB0289245 RDKit 3D PC(DiMe(9,3)/6 keto-PGF1alpha) 141142 0 0 0 0 0 0 0 0999 V2000 -5.5521 -6.3400 -3.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2949 -5.8140 -4.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6212 -5.2493 -5.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4536 -4.7099 -6.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4406 -5.7793 -6.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 -5.2893 -7.7078 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3699 -6.3526 -7.8751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4645 -4.2429 -6.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3864 -4.5625 -5.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 -3.5667 -5.2274 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8086 -2.1426 -5.4230 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9068 -1.2878 -5.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 -1.8205 -4.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 -3.1711 -3.8422 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3644 -3.1027 -2.6974 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7229 -3.8008 -3.7504 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6764 -3.1446 -2.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -3.3583 -1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3868 -4.0523 -1.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 -2.7316 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 -2.9935 1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2274 -2.4603 1.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -2.6933 2.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 -1.9585 3.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6449 -2.2129 4.8427 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.9585 3.1357 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2789 -0.2576 4.0031 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9325 1.2258 4.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0173 1.7884 2.7483 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 3.1243 2.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4694 3.8496 3.5125 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 3.7392 1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5679 5.2312 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 5.8927 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5206 5.5537 -1.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8891 5.8703 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 5.2606 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8484 3.7690 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6201 3.3707 1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9316 4.0234 1.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 5.0262 2.3573 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4687 5.3948 2.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1095 6.5019 3.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9663 5.9379 4.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0948 5.1146 5.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0659 4.5884 1.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4809 4.6015 0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0791 3.7046 0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3217 2.6611 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -0.4119 3.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 0.0761 2.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4591 -0.0949 1.7493 P 0 0 0 0 0 5 0 0 0 0 0 0 5.4514 -0.3007 0.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3227 1.3340 2.0509 O 0 0 0 0 0 1 0 0 0 0 0 0 6.2392 -1.4297 2.4275 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1713 -1.0470 3.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8978 -2.1923 3.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 -3.1479 4.6801 N 0 0 0 0 0 4 0 0 0 0 0 0 6.2891 -2.5912 5.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 -3.9379 3.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -4.1051 5.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 -6.3782 -2.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 -5.6302 -4.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7952 -7.3589 -4.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8629 -5.0618 -3.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -6.7247 -4.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3909 -4.4469 -5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1279 -6.0740 -6.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 -3.8249 -6.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8475 -4.3800 -7.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1637 -6.2520 -5.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9033 -6.5673 -7.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 -4.8848 -8.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -6.9557 -7.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 -3.2180 -7.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5347 -5.6466 -5.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 -3.7586 -5.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 -1.8429 -6.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 -0.4416 -4.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -1.4522 -4.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0861 -1.1691 -3.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -3.7875 -4.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 -3.5373 -2.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6995 -4.8826 -3.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 -2.0645 -3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 -3.6505 -2.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 -1.6536 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1496 -3.1985 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 -2.5617 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6307 -4.1046 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -1.3555 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -2.8409 0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -2.3159 2.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 -3.7729 2.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 -0.6130 5.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 1.7107 4.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 1.4017 4.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9236 3.6159 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 3.2540 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 5.4951 1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5203 5.6540 1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 7.0009 0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5791 5.7561 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 4.4767 -1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8061 6.1110 -2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 7.0018 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 5.6859 -1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7146 5.6899 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3568 5.4955 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4694 3.5741 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 3.1853 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0193 3.5761 2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7286 2.2507 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7691 7.1035 2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3233 7.1273 3.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8083 5.3304 3.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 6.7747 4.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2389 4.0587 4.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3762 5.2957 6.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0109 5.3728 4.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4547 4.5357 -0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0301 3.7058 1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9776 5.5416 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8294 3.1199 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 2.1891 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9827 1.8870 0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 -1.4883 3.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3886 0.1628 4.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7278 -0.3905 4.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9340 -0.4230 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5639 -2.7251 3.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 -1.7623 4.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2942 -3.2568 6.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -2.4692 5.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6845 -1.6068 6.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 -3.4996 3.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 -4.1260 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1003 -4.9253 4.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4657 -5.0511 5.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8102 -4.2767 4.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4482 -3.7031 6.2406 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 42 46 2 0 46 47 1 0 46 48 1 0 48 49 1 0 27 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 58 59 1 0 58 60 1 0 58 61 1 0 16 10 1 0 48 40 2 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 6 7 74 1 0 8 75 1 0 9 76 1 0 10 77 1 1 11 78 1 6 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 6 15 83 1 0 16 84 1 1 17 85 1 0 17 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 23 93 1 0 23 94 1 0 27 95 1 1 28 96 1 0 28 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 47121 1 0 47122 1 0 47123 1 0 49124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 M CHG 2 54 -1 58 1 M END