HMDB0284055 RDKit 3D PE(6 keto-PGF1alpha/22:4(7Z,10Z,13Z,16Z)) 141141 0 0 0 0 0 0 0 0999 V2000 12.5000 2.3564 -4.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8752 1.3557 -3.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5485 2.0028 -2.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7781 3.0475 -1.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4791 2.5725 -1.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7643 3.6384 -0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4747 3.7281 0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7883 2.7944 1.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5147 1.5758 1.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0455 0.3885 1.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7043 0.1260 2.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8396 -0.5872 3.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3277 -1.7466 3.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5430 -2.5455 2.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1928 -2.8147 3.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 -2.4918 3.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8155 -1.7843 1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -0.4671 2.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 0.2431 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 1.5499 1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 1.3877 1.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8179 0.6101 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 1.2304 0.3119 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5952 -0.7327 1.2637 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 -1.4863 0.5846 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2466 -2.2721 1.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1897 -3.0151 0.8411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2102 -2.5285 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3412 -1.2931 -0.0368 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0903 -3.4828 -0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3384 -2.8808 -1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -2.2359 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4787 -1.6741 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4446 -0.6255 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4426 -0.1861 -2.1006 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7796 -0.0954 -2.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0913 1.1288 -1.2701 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0648 2.2035 -1.5076 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6423 2.0333 -2.8463 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8171 3.5244 -1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2291 3.1486 -1.0142 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1386 4.0588 -1.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3952 1.7747 -1.6341 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5350 1.0275 -1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3550 1.6143 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5149 0.8864 0.4431 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.0113 -0.1314 1.2561 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4519 1.7890 1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0670 2.7990 0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0264 3.7201 1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6046 4.6879 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5762 5.6531 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3413 -2.4516 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -3.3150 0.3837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 -4.4174 -0.6564 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2802 -4.3110 -2.0413 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5617 -4.1344 -0.8352 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 -5.9670 -0.0768 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 -6.9330 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -8.3168 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 -8.3776 -0.0468 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5276 2.8439 -4.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5245 1.8186 -5.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2502 3.1751 -4.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0259 0.6928 -3.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6469 0.6930 -4.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8149 1.1883 -1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4877 2.4628 -2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5486 3.8822 -2.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4166 3.3718 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8284 2.4090 -2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4829 1.5710 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 4.5196 -1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9102 4.6461 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3591 3.3864 2.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 2.5733 2.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5642 1.7147 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 -0.4801 1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1932 -0.5833 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0310 0.9697 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4215 -0.0594 4.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4921 -2.1979 4.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5272 -2.2844 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0325 -3.5903 3.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2492 -3.3529 4.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1551 -2.7790 3.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7595 -1.5997 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 -2.4129 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7061 0.1760 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1032 -0.7476 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6819 0.3803 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0283 -0.3948 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7845 2.1555 1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 2.1411 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4137 2.3938 2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 0.8815 2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 -0.8366 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 -1.5536 2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3779 -2.9606 2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3173 -4.3836 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 -3.9088 -1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0087 -2.1649 -1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9496 -3.7110 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6087 -1.4773 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4405 -3.0279 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1185 -2.5073 -1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0171 -1.3063 0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7569 0.1307 -3.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5276 -0.8945 -1.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0782 0.8230 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2237 2.1770 -0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0143 2.7245 -3.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9274 3.9685 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3586 4.2807 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2631 3.0724 0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3549 4.7371 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4575 1.8902 -2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7141 -0.0189 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2343 2.6628 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0557 0.4071 -0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0974 -0.4060 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2684 1.1620 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9760 2.2985 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3042 3.4414 -0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7199 2.2879 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4124 4.2954 1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8215 3.1612 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1180 4.1118 -0.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7975 5.3051 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6507 6.5360 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2311 5.9842 1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5984 5.2018 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -1.8612 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -3.0522 -0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1067 -4.4628 -0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9725 -6.6824 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 -6.9485 -1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1439 -8.6323 0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4624 -9.0127 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 -7.9576 0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4639 -7.8124 -0.7092 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 25 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 43 37 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 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 36108 1 0 36109 1 0 37110 1 1 38111 1 1 39112 1 0 40113 1 0 40114 1 0 41115 1 1 42116 1 0 43117 1 6 44118 1 0 45119 1 0 46120 1 6 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 57135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 61140 1 0 61141 1 0 M END