HMDB0003175 RDKit 3D 15-Keto-prostaglandin E2 55 55 0 0 0 0 0 0 0 0999 V2000 -6.9304 0.4114 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5383 -0.1701 1.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0967 -0.1572 1.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1776 -0.9376 1.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0774 -0.6074 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 -1.5414 -1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3466 -2.7517 -1.1245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7413 -1.0844 -1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 0.1480 -1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0807 0.4426 -1.8009 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0871 1.5170 -2.8580 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0204 0.9218 -4.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 2.2628 -2.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 1.7234 -1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1635 1.8701 -1.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 0.9949 -0.7206 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5239 -0.1505 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 0.4686 1.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6262 0.2292 1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3525 -0.6964 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9175 -1.7916 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 -1.2478 2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9706 -0.5726 1.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8676 -1.2986 1.2261 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0299 0.8052 1.6205 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2224 -0.3341 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8354 1.1063 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1134 1.0290 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1605 0.3274 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8952 -1.2547 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0023 -0.5691 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7843 0.9237 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5176 -2.0241 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 -0.9254 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 0.4415 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0302 -0.8382 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0536 -1.8306 -1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 0.9259 -0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5758 -0.4748 -2.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8016 2.1596 -2.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 1.0477 -4.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0282 2.1217 -3.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1623 3.3392 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 1.7231 -0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 -0.5923 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 -0.8349 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 1.1858 1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2209 0.7270 2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2855 -0.1939 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 -1.2310 -0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -2.5392 0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 -2.2740 1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -2.1286 3.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3815 -0.5730 3.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 1.2432 0.7374 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 1 12 41 1 0 13 42 1 0 13 43 1 0 16 44 1 1 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