HMDB0271905 RDKit 3D PG(PGE2/i-20:0) 143143 0 0 0 0 0 0 0 0999 V2000 -5.8698 0.3689 -3.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6989 -0.6015 -4.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -1.8448 -4.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4463 -2.6215 -3.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6943 -3.8685 -3.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2176 -4.5936 -2.6626 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2705 -4.9728 -1.8569 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 -3.5796 -1.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2517 -3.1423 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3214 -2.1636 -1.8599 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7323 -1.7505 -0.4912 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1949 -0.4862 -0.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 -2.8184 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1211 -3.4761 -0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -4.4257 0.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0397 -2.8160 -1.6598 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1399 -1.7711 -1.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 -0.8668 -2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 -0.7021 -3.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 -1.3364 -3.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 -2.0547 -4.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3920 -2.6556 -4.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7678 -3.6640 -3.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 -4.1032 -3.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9373 -4.1861 -2.5666 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3942 -5.1926 -1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1175 -5.4872 -0.7971 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1140 -5.9893 -1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9942 -5.1124 -2.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -5.7067 -4.0395 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6964 -6.4473 -5.1373 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 -6.8081 -3.3709 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 -4.4797 -4.8235 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -4.8158 -6.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 -3.7220 -6.8363 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1693 -3.5186 -6.1686 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8174 -2.4267 -6.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 -1.5146 -7.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 -4.2691 -0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5502 -4.0806 1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 -5.0414 1.9134 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 -2.7471 1.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 -2.7208 3.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 -1.2961 3.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -1.1456 4.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7546 0.3234 5.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 0.5701 6.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 2.0622 6.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3663 2.3479 8.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2999 3.8222 8.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4088 4.5970 7.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 6.0729 7.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0662 6.8905 6.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 6.5293 6.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9722 7.4220 5.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1637 7.1554 3.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4929 7.8784 2.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3978 9.3603 2.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 10.0738 3.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 9.8248 2.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1079 -0.0827 -2.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 1.0154 -2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3489 1.1084 -4.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1143 -0.0698 -5.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5647 -0.8803 -3.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1213 -1.5270 -5.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6658 -2.5031 -5.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7377 -2.0425 -2.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3026 -2.9606 -2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3699 -4.5071 -4.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8381 -3.5769 -4.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6005 -5.4582 -2.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 -5.0758 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 -3.2414 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0153 -3.5745 -3.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -1.3235 -2.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 -1.6792 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -0.0301 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8184 -2.3348 1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9865 -3.5295 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2468 -3.5295 -2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0505 -2.3751 -1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9516 -1.1954 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 -0.2769 -2.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 0.0393 -4.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4722 -0.5388 -3.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7409 -2.1086 -2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -1.3695 -5.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 -2.8479 -4.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 -1.7771 -4.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 -3.0176 -5.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7224 -6.0963 -2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1733 -4.7485 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 -6.2833 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 -6.0906 -1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 -6.9660 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0347 -6.4151 -3.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 -5.0265 -6.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -5.7347 -6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1662 -4.0484 -7.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0986 -2.6717 -5.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 -1.9963 -5.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 -2.5755 -7.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 -0.5835 -7.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 -2.0085 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3104 -2.3008 1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 -3.0245 3.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 -3.4110 3.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4176 -0.6941 3.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7653 -0.7963 2.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 -1.6607 5.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -1.5114 5.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 0.7871 4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7352 0.8580 5.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 0.2113 7.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2129 0.1039 6.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4522 2.5094 5.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 2.5448 6.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6712 1.9533 8.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 1.9179 8.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 4.2762 8.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2402 3.9821 9.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 4.4533 6.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4679 4.2863 7.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6195 6.3909 7.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 6.2463 8.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0977 7.9411 6.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 6.8470 5.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 5.4659 5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 6.5526 7.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 7.0685 4.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 8.4750 5.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3406 6.0535 3.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0459 7.1918 4.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7881 7.5245 1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 7.5846 2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 9.6738 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7648 10.5096 4.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 10.9744 2.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1883 9.4791 3.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 10.2668 3.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 10.6272 2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 8.9931 2.7635 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 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 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 27 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 16 10 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 6 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 6 11 77 1 6 12 78 1 0 13 79 1 0 13 80 1 0 16 81 1 6 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 1 28 95 1 0 28 96 1 0 32 97 1 0 34 98 1 0 34 99 1 0 35100 1 6 36101 1 0 37102 1 0 37103 1 0 38104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 59138 1 0 59139 1 0 59140 1 0 60141 1 0 60142 1 0 60143 1 0 M END