HMDB0294592 RDKit 3D DG(PGE1/0:0/10:0) 99 99 0 0 0 0 0 0 0 0999 V2000 10.2684 -0.8744 -4.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 -0.8142 -3.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3987 -2.0989 -2.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 -1.9572 -1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5176 -3.2237 -0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6865 -3.4924 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7324 -2.6777 1.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 -1.2420 1.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -1.0264 1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6222 0.4315 1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5369 1.2400 1.5519 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 0.9117 0.9866 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 2.2190 0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0329 3.0739 2.0980 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3409 3.2514 2.5602 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 2.5951 3.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8296 2.3906 2.7209 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0642 3.3726 2.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4538 4.5352 2.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 3.0349 1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 4.2453 1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3418 4.2284 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 3.3040 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7893 1.8485 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 1.2881 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1038 1.4131 0.7787 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6952 2.7174 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5814 3.7069 1.3864 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5833 2.7390 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9359 1.2712 -0.7378 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2113 1.0589 -2.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6861 0.5705 -0.3158 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8929 -0.8352 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3077 -1.8428 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4032 -3.2430 -0.1281 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8917 -3.4139 1.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6451 -4.0024 -0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3172 -4.1328 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8549 -2.9254 -2.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9378 -2.2913 -1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5694 -1.0901 -1.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2739 -1.1824 -4.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3872 0.1542 -4.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8871 -1.5605 -5.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6695 0.0249 -2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2974 -0.5818 -3.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4249 -2.1657 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1309 -2.9785 -3.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7440 -1.0404 -0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4296 -1.7831 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3025 -4.0559 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6219 -3.4402 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5906 -3.6282 0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9543 -4.5648 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6979 -2.8262 2.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9799 -3.1493 2.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3109 -0.8168 2.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0502 -0.6532 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 -1.4568 2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7561 -1.5326 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 2.1675 0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3946 2.7522 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6932 4.1230 1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7777 3.8637 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 3.3451 4.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 1.6714 3.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 2.2806 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8677 2.6559 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2774 4.6825 0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 5.0684 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 5.2843 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 4.2497 1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 3.4876 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 3.6759 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 1.3915 -0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2492 1.4124 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 0.1778 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3462 1.6505 1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5024 0.9177 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5032 3.3152 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 3.0588 -1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8010 1.0298 -0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5414 1.8838 -2.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0378 0.5281 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5301 -1.0294 0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6627 -1.5590 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6133 -3.8092 -0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4891 -4.0169 1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 -5.0680 0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4238 -3.7281 0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6621 -4.7087 -2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1946 -4.8425 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4176 -3.2828 -3.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1263 -2.2020 -2.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6930 -3.0867 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4843 -2.0441 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6308 -1.3069 -2.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0706 -0.7852 -2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4823 -0.2299 -1.2473 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 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 1 0 25 26 1 0 26 27 1 0 27 28 2 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 0 13 62 1 0 14 63 1 6 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 29 80 1 0 29 81 1 0 30 82 1 1 31 83 1 0 32 84 1 6 33 85 1 0 34 86 1 0 35 87 1 6 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 M END