HMDB0262263 RDKit 3D PE(6 keto-PGF1alpha/20:3(8Z,11Z,14Z)) 137137 0 0 0 0 0 0 0 0999 V2000 2.9689 -5.0728 3.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5007 -4.6827 4.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 -3.2338 4.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 -2.8526 4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0755 -1.3929 5.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -0.4972 4.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 0.4679 3.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5913 0.7919 3.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 0.6697 2.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0068 1.6452 2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 3.0040 2.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4459 3.4047 3.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8923 3.7400 4.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 3.7758 5.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 5.0728 6.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 6.2769 5.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1179 6.2056 4.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7141 7.5213 4.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2962 7.4511 3.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 6.4099 2.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 5.8158 2.2163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 6.0045 2.0952 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 5.0020 1.0922 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8923 3.7964 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 2.8792 0.4661 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 1.6351 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1087 1.2769 1.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 0.8459 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7956 -0.5081 -0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4619 -1.2845 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -2.6487 -2.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -3.4171 -3.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4162 -3.2050 -4.2982 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6842 -4.4184 -3.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4432 -5.0467 -4.6283 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6923 -5.7795 -5.1341 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6083 -5.9574 -4.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 -7.1203 -5.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7675 -7.1004 -5.5971 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2071 -8.3359 -5.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4453 -6.1569 -4.4619 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9598 -5.7642 -4.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3974 -4.5231 -4.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8719 -4.2632 -4.5415 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6086 -5.3994 -4.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 -3.1943 -3.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 -3.4741 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -4.6936 -1.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 -4.7778 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4306 -6.0034 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 5.5275 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 5.9793 -0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 6.5423 -1.4629 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4531 6.7679 -2.4879 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 8.0244 -1.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5829 5.3658 -2.0757 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 5.6115 -1.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7781 4.4870 -2.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1847 4.7132 -2.1284 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 -4.5230 4.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 -6.1798 3.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 -4.7308 2.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 -4.8152 3.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -5.3751 4.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0645 -3.1972 5.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8677 -2.6388 3.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4686 -2.9598 3.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4986 -3.5404 5.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -1.3521 6.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 -1.2456 5.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5866 -0.6475 3.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 1.0860 2.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0993 0.0852 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 1.7948 4.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3318 -0.3501 2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5601 1.4742 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 3.6761 1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 3.2165 3.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1699 3.4166 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 4.0149 4.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0238 3.4148 5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 3.0033 6.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0559 5.2884 6.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4194 4.9606 7.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1852 6.5979 4.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6103 7.1722 6.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9733 5.3340 4.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4278 6.0213 5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7361 8.2974 5.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 7.7581 3.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0534 8.4206 3.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4372 7.2927 4.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 4.6864 0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5941 3.4053 2.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 4.0944 1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 1.4582 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 0.6900 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5403 -1.0825 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8808 -0.3227 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 -0.7173 -2.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 -1.3833 -2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -2.5230 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8328 -3.2313 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -5.2423 -2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7631 -3.9851 -2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1505 -4.2622 -5.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -5.2094 -5.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4357 -6.3156 -4.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6084 -7.3036 -6.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5844 -7.9592 -4.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 -6.7055 -6.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -8.4345 -4.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6612 -6.6836 -3.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6865 -6.5839 -4.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -3.7325 -4.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1147 -3.8698 -5.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -5.1675 -3.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6878 -2.2682 -3.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -3.0653 -3.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7028 -3.4797 -2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -2.6012 -1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5059 -4.6354 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1475 -5.6467 -2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7405 -4.8636 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0588 -3.8386 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1491 -6.5117 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 -6.6939 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9295 -5.6936 1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 4.7742 -1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 6.4188 -0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7253 8.1105 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1866 6.5633 -2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1415 5.7528 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 3.5330 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 4.4357 -3.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5993 3.9868 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7406 4.8536 -3.0139 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 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 41 35 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 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 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 34104 1 0 34105 1 0 35106 1 6 36107 1 6 37108 1 0 38109 1 0 38110 1 0 39111 1 6 40112 1 0 41113 1 1 42114 1 0 43115 1 0 44116 1 6 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 55131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 59136 1 0 59137 1 0 M END