HMDB0284987 RDKit 3D PE(PGE2/DiMe(9,3)) 129130 0 0 0 0 0 0 0 0999 V2000 -15.4503 1.4886 2.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2253 2.2486 1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4879 1.5338 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8763 0.2750 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4483 0.0302 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5633 0.1357 0.9979 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.5249 1.3662 1.5788 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1394 -0.3056 0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2990 0.5360 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8845 0.2191 -0.2822 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7363 0.6168 -1.7459 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0589 -0.3256 -2.4889 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0831 1.9856 -1.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1114 2.3968 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1965 3.5223 0.1042 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0154 1.1485 0.4920 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5481 0.7778 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2885 -0.5188 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6848 -1.4931 0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2096 -1.3829 -0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 -1.5776 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0593 -0.5082 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5689 -0.5360 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9904 -1.2520 0.7136 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 0.1741 -0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 0.3479 -1.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 -0.6989 -1.8312 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6503 -1.9159 -1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7097 -2.8578 -0.9168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9813 -4.2162 -0.0718 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8745 -3.9079 1.4087 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -5.4249 -0.3406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 -4.9730 -0.3028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 -4.8278 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6081 -5.5996 0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6618 -5.5293 1.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6882 0.0106 -1.8664 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3563 0.2404 -3.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 -0.2146 -4.0745 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 0.9485 -3.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0952 1.6087 -1.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 0.6556 -0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8091 1.5011 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 0.6836 1.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2796 -0.2847 1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5263 0.5040 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6901 -0.4263 0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8898 0.4115 0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9543 1.6765 0.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1845 2.0808 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4810 3.5021 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9780 4.2153 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2475 3.6213 1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9692 0.9684 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4222 0.8897 -0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1451 -0.1185 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5899 -1.5218 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1183 0.4405 2.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5385 1.4380 3.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9513 2.0737 3.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1297 3.0316 1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3660 2.9147 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2038 2.2950 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6313 1.5092 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4300 -0.0586 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3146 -0.5293 0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2979 -1.0344 -0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0239 0.6876 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8823 -0.5807 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2819 1.2859 2.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8229 -1.3148 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6738 1.5570 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6219 -0.8168 -0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7374 0.7539 -2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0177 -0.0063 -3.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0268 1.9663 -2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6772 2.7324 -2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4107 1.3217 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1135 1.5441 1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1593 0.9688 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6349 -0.6627 2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5091 -2.4754 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6062 -2.3078 -1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5312 -0.5584 -1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4452 -1.3804 -2.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -2.5976 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3417 0.4810 -0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 -0.5932 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0146 0.7150 -0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 1.3195 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 -0.8876 -2.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8826 -1.5641 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 -2.3490 -1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5764 -5.3497 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 -3.7988 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 -5.3439 1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9978 -5.1802 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3071 -6.6482 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -5.3260 2.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4137 -4.8433 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4424 1.7646 -3.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4174 0.2707 -3.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 2.3089 -2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2631 2.2810 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2602 0.0426 -1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 0.0048 -0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6478 2.1305 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 2.2083 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2353 0.1204 1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 1.3838 2.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -1.0591 0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4733 -0.7704 2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 1.2058 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4085 1.0782 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -1.1224 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8523 -1.0107 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5573 4.0202 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2743 3.5313 -1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 5.3109 0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1748 4.2331 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0098 3.5269 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6594 4.3215 2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0685 2.6809 1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7715 1.7141 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5941 -0.1092 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9577 0.8803 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 -1.7338 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7477 -2.2266 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9891 -1.7199 1.4916 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 27 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 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 50 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 16 10 1 0 56 48 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 1 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 6 11 74 1 6 12 75 1 0 13 76 1 0 13 77 1 0 16 78 1 1 17 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 6 28 92 1 0 28 93 1 0 32 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 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 51117 1 0 51118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 53123 1 0 55124 1 0 55125 1 0 55126 1 0 57127 1 0 57128 1 0 57129 1 0 M END