HMDB0294598 RDKit 3D DG(PGF1alpha/10:0/0:0) 101101 0 0 0 0 0 0 0 0999 V2000 11.5376 -3.6184 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7400 -2.1300 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0913 -1.5371 1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5849 -1.8013 1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9016 -1.2246 2.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4088 -1.4496 2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7648 -0.8082 1.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 -0.9904 0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 -0.2909 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 1.1526 -0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4136 1.7579 0.8544 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9037 1.9197 -1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 3.2813 -1.3149 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4976 3.5787 -2.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 2.9015 -1.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 4.1596 -1.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 4.0602 -1.2315 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 2.9823 -1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 1.9221 -1.7489 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 3.0234 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 1.6795 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2526 1.6453 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2501 2.6052 -0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 2.5912 -1.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3645 1.5093 -2.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 0.9706 -1.9197 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1658 -0.0465 -2.9212 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6397 0.3058 -4.1649 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5656 -1.3537 -2.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9863 -1.1647 -1.1502 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5971 -1.2279 -1.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 0.1084 -0.6674 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9702 -0.0023 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6629 -1.1121 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0927 -1.0407 0.4772 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6961 -2.1695 -0.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1288 -1.2328 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5175 -1.1237 2.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5135 -2.0978 1.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8824 -1.8977 2.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7968 -2.9400 2.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4622 -3.8178 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0688 -3.9620 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9226 -4.1714 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8009 -1.8582 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 -1.6329 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2652 -0.4374 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5207 -1.9381 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1685 -1.4711 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4387 -2.9060 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3303 -1.6261 3.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0288 -0.1017 2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1269 -2.5087 2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0432 -0.9373 3.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 -1.2833 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0682 0.2332 1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0368 -2.0639 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 -0.5833 1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2919 -0.7883 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 -0.4439 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3656 3.6080 -0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5027 3.2443 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6893 4.6505 -1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3087 2.7887 -1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4742 5.2322 -1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9631 3.9597 -2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0779 3.7498 -0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8576 3.2878 0.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7253 0.9145 -0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 1.3843 -1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5941 0.6289 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9794 2.0454 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 3.6463 -0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 2.6702 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 3.5068 -1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8241 2.9951 -2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7144 0.6198 -2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6026 1.8841 -3.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3912 1.7966 -1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 -0.0662 -2.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2936 0.8047 -4.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3808 -2.1035 -2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7782 -1.6927 -3.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3067 -2.0007 -0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2542 -1.5930 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9629 0.5886 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5251 0.9176 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2565 -2.0622 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6008 -0.1610 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4030 -2.2015 -1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6400 -2.1973 2.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5516 -0.3735 2.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4935 -1.2224 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9301 -0.0948 2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6527 -1.9420 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2244 -3.1482 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8184 -2.0952 3.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2506 -0.8769 2.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3837 -3.4529 2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5641 -2.5101 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2377 -3.7265 1.4795 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 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 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 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 32 26 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 7 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 13 61 1 1 14 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 16 66 1 0 20 67 1 0 20 68 1 0 21 69 1 0 21 70 1 0 22 71 1 0 22 72 1 0 23 73 1 0 23 74 1 0 24 75 1 0 24 76 1 0 25 77 1 0 25 78 1 0 26 79 1 1 27 80 1 6 28 81 1 0 29 82 1 0 29 83 1 0 30 84 1 1 31 85 1 0 32 86 1 1 33 87 1 0 34 88 1 0 35 89 1 1 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END