HMDB0298576 RDKit 3D DG(6 keto-PGF1alpha/0:0/i-13:0) 109109 0 0 0 0 0 0 0 0999 V2000 -11.0265 -0.5607 6.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1067 -0.8678 4.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5104 0.2640 3.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6290 -0.0324 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8971 -1.2727 1.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0111 -1.5809 0.4978 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3217 -2.7671 0.1881 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4202 -0.4419 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8224 -0.6982 -1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2393 0.3461 -2.2603 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2058 1.7315 -1.6564 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4552 2.3244 -1.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1241 2.4756 -2.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4778 1.3980 -3.3300 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2198 1.2897 -4.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7331 0.1595 -2.5123 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4455 -1.1301 -3.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -1.3728 -3.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6567 -1.2696 -4.6303 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 -1.7285 -2.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6863 -1.9750 -2.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0474 -0.8336 -3.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8462 0.4132 -2.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 0.2438 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 -0.8512 -1.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6613 1.3242 -0.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1681 1.3206 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 0.9593 -0.1718 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9950 1.8964 -1.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 0.9481 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7931 0.6631 0.7539 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6671 1.3837 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 2.4501 -0.5397 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0776 0.8472 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7702 1.7981 -1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1402 1.5992 -1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2962 1.6329 -0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3414 0.6109 0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6721 0.7409 1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6655 -0.3079 2.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9395 -0.2596 3.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1741 -0.4815 2.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1587 -1.8247 1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4251 -2.0220 0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1439 -2.9594 2.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9665 -0.4653 6.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4631 -1.4469 6.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5594 0.3738 6.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1461 -1.0181 4.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4732 -1.7813 4.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9545 1.2468 4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4005 0.3419 3.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2758 0.8694 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7206 -0.1111 2.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3307 -2.1839 2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8044 -1.2076 2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0807 -1.6516 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8992 -3.2698 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4509 0.5790 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7920 -1.7302 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6733 0.4289 -3.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9286 1.7302 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3328 3.1419 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5576 3.2605 -3.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3586 2.8514 -1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4081 1.6025 -3.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6301 1.3290 -5.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2179 0.2803 -1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0711 -1.1557 -4.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8972 -1.9421 -2.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 -0.9836 -1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3725 -2.6876 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 -2.3542 -2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7276 -2.8277 -3.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 -0.6272 -4.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9816 -1.2047 -3.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2819 1.1204 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7848 0.8836 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1686 2.3135 0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2317 0.5410 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5824 -0.0305 -0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 2.6966 -1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0432 0.1605 1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 1.9397 1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0067 -0.1755 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4939 0.6768 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0602 1.9277 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7065 2.8358 -0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1657 0.5545 -2.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 2.2773 -2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2383 1.5252 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4166 2.6797 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 0.8204 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2291 -0.3963 0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6580 1.7556 1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5363 0.6840 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5595 -1.3295 1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8377 -0.1431 3.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9550 0.7348 3.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8300 -1.0730 3.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2781 0.2858 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0360 -0.4856 3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2705 -1.9336 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1416 -2.4335 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1458 -2.6916 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8455 -1.0050 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1672 -2.9764 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0049 -2.8397 3.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2525 -3.9149 2.1260 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 28 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 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 43 45 1 0 16 10 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 6 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 6 11 62 1 1 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 6 15 67 1 0 16 68 1 1 17 69 1 0 17 70 1 0 20 71 1 0 20 72 1 0 21 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 23 77 1 0 23 78 1 0 27 79 1 0 27 80 1 0 28 81 1 6 29 82 1 0 30 83 1 0 30 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 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 42101 1 0 42102 1 0 43103 1 0 44104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 45109 1 0 M END