HMDB0002341 RDKit 3D 8-iso-15-keto-PGE2 55 55 0 0 0 0 0 0 0 0999 V2000 5.0107 3.1969 2.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 2.8987 0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 2.0687 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 0.7667 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8749 -0.1031 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9827 -0.5102 -1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9586 -0.1357 -1.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 -1.3394 -1.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -1.7731 -1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 -2.6093 -1.7590 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2359 -3.9799 -1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 -3.9545 0.2468 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5952 -4.4203 -1.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2842 -3.2104 -2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 -3.2120 -2.7008 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4549 -2.0147 -1.8039 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9053 -1.5127 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2471 -0.9655 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5311 0.2781 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5495 1.2337 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 1.7689 1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 2.4545 1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6708 3.0049 2.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7451 3.6215 2.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 2.8134 3.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7064 3.9536 2.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1456 2.2392 2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 3.5600 2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2317 2.3788 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 3.8442 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2558 2.0224 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 2.6750 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9348 0.2008 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 1.0197 1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9055 0.4220 0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 -0.9970 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 -1.6234 -2.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 -1.4797 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -2.7840 -2.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 -4.6237 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 -4.5629 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 -4.9313 -0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 -5.1748 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5594 -1.2156 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0388 -2.4422 0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 -0.9326 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0307 -1.6287 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5626 0.6652 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 2.1449 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 0.9835 0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 2.4961 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0631 0.9329 2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1064 1.7433 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2701 3.2767 0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7177 3.4727 4.4979 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 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 16 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 8 37 1 0 9 38 1 0 10 39 1 6 11 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 16 44 1 6 17 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 25 55 1 0 M END