HMDB0275332 RDKit 3D PGP(i-17:0/6 keto-PGF1alpha) 142142 0 0 0 0 0 0 0 0999 V2000 4.1978 8.3193 -3.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2271 8.8313 -2.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 8.4437 -2.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9023 8.9887 -1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5544 8.7285 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9928 7.3199 -1.6461 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3868 7.3288 -1.7846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 6.5368 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 7.0621 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 6.3190 2.0439 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9268 7.0701 2.6220 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0287 6.2444 2.6829 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 7.6845 3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0329 7.6447 3.9080 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5469 7.5404 5.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 6.4678 3.0189 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8846 5.2978 3.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9612 4.5410 4.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2158 4.6191 4.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5453 3.6654 5.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 2.8215 6.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 1.7493 5.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 1.0196 6.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 -0.1150 6.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 -0.8182 7.1444 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 -0.5517 4.9603 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -1.6937 4.6583 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6801 -1.5059 3.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1448 -1.1802 2.3709 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -1.0486 1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2029 -1.2004 1.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.7261 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4498 -0.7833 -1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 -0.5160 -2.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9094 -1.5550 -2.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 -1.3768 -4.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3192 -2.4858 -4.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.4452 -5.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -3.5650 -5.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 -4.9149 -5.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -5.9759 -5.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 -7.2980 -5.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1041 -8.4812 -5.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 -8.6406 -6.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 -9.8632 -6.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7338 -9.7407 -5.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6675 -9.9590 -7.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6276 -2.7513 4.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -2.1831 2.8948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0276 -3.2729 2.1757 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1202 -3.4860 3.1151 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 -4.7077 1.8473 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 -2.6754 0.6637 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8836 -2.6023 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 -2.0385 -0.5744 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1372 -2.7882 -1.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9332 -1.8418 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3199 -1.0933 0.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9886 -0.8780 0.6583 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.4038 -1.0038 2.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4273 0.6687 0.1469 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 -2.0325 -0.2378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 8.9153 -4.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 8.3951 -2.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 7.2553 -3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4946 8.4931 -1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 9.9570 -2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 7.3577 -2.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6219 8.9077 -3.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 8.7445 -0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 10.1209 -1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8739 9.2755 -2.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0825 9.2520 -0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 6.7739 -2.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 6.4272 -2.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 5.4504 -0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7377 8.1409 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 5.2658 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2409 7.9187 1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 5.5431 1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 8.7810 3.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 7.2467 4.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 8.5810 3.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 7.5221 5.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 6.8376 2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 5.6431 4.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 4.6198 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3344 2.9890 5.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 4.2721 6.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 2.2879 7.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 3.3918 7.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5824 0.9776 5.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 2.0563 4.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 0.6592 7.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6352 1.7667 7.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0086 -2.1431 5.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -0.7280 3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 -2.4815 3.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 0.3148 -0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5233 -1.3767 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8842 -1.8262 -1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2877 -0.0949 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.5837 -3.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5007 0.4970 -2.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0257 -1.4498 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 -2.5852 -2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 -1.5500 -4.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -0.3892 -4.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -2.3667 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -3.4332 -4.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1751 -1.4627 -5.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -2.5461 -6.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0895 -3.3436 -5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -3.5512 -6.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -4.9963 -4.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0899 -5.1493 -6.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5573 -5.7183 -4.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -5.8463 -6.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6219 -7.3850 -6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3447 -7.2504 -4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7161 -8.4618 -4.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 -9.3930 -5.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5722 -7.7716 -6.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2825 -8.7933 -7.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1688 -10.7749 -6.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1685 -8.7226 -5.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5666 -10.4447 -5.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 -9.8509 -4.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 -8.9029 -8.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 -10.4793 -8.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6539 -10.3882 -7.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2406 -3.6008 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -2.9673 4.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 -4.4925 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 -3.5880 0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1663 -1.9676 1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -1.0136 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9331 -2.1724 -2.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2231 -1.2415 -1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4684 -2.8001 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3922 0.7937 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7521 -1.8820 -1.2098 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 45 46 1 0 45 47 1 0 27 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 59 62 1 0 16 10 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 6 7 75 1 0 8 76 1 0 9 77 1 0 10 78 1 6 11 79 1 6 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 6 15 84 1 0 16 85 1 6 17 86 1 0 17 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 22 92 1 0 22 93 1 0 23 94 1 0 23 95 1 0 27 96 1 1 28 97 1 0 28 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 46126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 52134 1 0 54135 1 0 54136 1 0 55137 1 6 56138 1 0 57139 1 0 57140 1 0 61141 1 0 62142 1 0 M END