HMDB0285508 RDKit 3D PE(6 keto-PGF1alpha/P-18:1(9Z)) 134134 0 0 0 0 0 0 0 0999 V2000 15.0103 0.4358 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8385 1.3182 0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6901 1.0720 1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3278 1.1725 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8890 0.2043 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9276 -1.1968 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5404 -2.1953 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 -2.1472 -1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1115 -2.3327 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1446 -1.4883 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9411 -0.2448 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6472 -0.0612 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3539 -0.9509 -2.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1951 -2.3949 -2.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1091 -3.0201 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9961 -2.8104 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7983 -3.5928 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 -3.0063 0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -1.6103 1.0979 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 -0.9628 1.3711 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5969 -1.1959 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -0.6212 0.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.9566 1.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 -1.8556 2.3277 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7962 -0.3332 1.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0823 0.7394 0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4585 1.3508 0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5378 0.2856 0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5301 -0.3145 -0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 0.2959 -1.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2021 -1.5401 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6495 -1.4416 -1.3389 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0884 -2.8528 -1.7264 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2794 -3.7855 -1.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5313 -2.9413 -1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4695 -2.2790 0.0561 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8989 -3.1692 0.9601 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5483 -1.0873 -0.1920 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4705 0.0096 -0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5276 1.1948 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4457 2.2428 -0.5490 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0367 2.8396 -1.7408 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8364 1.6675 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2480 1.1777 0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6360 0.5707 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7064 1.5291 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7841 2.7414 1.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 0.5118 1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3432 1.0684 0.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 2.7271 0.6623 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1184 3.3422 -0.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 2.9829 1.9027 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1326 3.4964 1.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 4.7021 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2238 5.4223 0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3576 4.6034 0.2577 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6121 0.9229 -1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 -0.5397 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1325 0.3030 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8083 1.3175 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7832 2.3947 0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7810 1.8072 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8625 0.0594 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1885 2.2145 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5815 1.1475 1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4464 0.3086 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8316 0.4717 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1976 -1.2539 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9421 -1.3785 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3090 -2.2136 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 -3.2285 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0456 -3.0345 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -1.2777 -1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -3.2755 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4119 -1.6988 0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9444 0.5807 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7578 0.0687 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 0.1261 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7642 0.9914 -1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -0.4906 -3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 -0.7796 -3.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0469 -2.7653 -3.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 -2.8619 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1393 -2.7532 -2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 -4.1439 -1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 -1.7819 0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 -3.3021 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 -4.6538 0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -3.5987 1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 -1.3930 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4491 -2.2722 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9785 -0.7582 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5554 -1.1426 1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7602 0.1349 2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 0.4722 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 1.5833 0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5301 1.7486 1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5754 2.1516 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4513 -0.4695 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5020 0.8771 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6746 -1.9903 -1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0642 -2.2901 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7648 -0.8098 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9840 -3.0128 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4492 -4.6969 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9171 -3.9599 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1082 -2.2723 -1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4525 -1.9841 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9636 -4.0885 0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0607 -0.8796 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1218 -0.1811 -1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8506 1.3398 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5308 3.0705 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5287 2.5116 -2.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5178 2.4871 -0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8343 0.8757 -1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5533 0.3495 0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1764 2.0369 1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6862 -0.3192 0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8404 0.2627 1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6682 0.9778 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5912 1.8291 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5145 3.6696 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8265 2.8656 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1289 2.5684 2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 0.6927 2.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 0.9555 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 3.6278 1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 5.3604 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 4.5191 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 6.3689 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 5.6624 1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 4.9236 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 3.6002 0.4808 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 3 18 19 1 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 20 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 38 32 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 18 89 1 0 20 90 1 1 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 31101 1 0 31102 1 0 32103 1 6 33104 1 6 34105 1 0 35106 1 0 35107 1 0 36108 1 1 37109 1 0 38110 1 1 39111 1 0 40112 1 0 41113 1 1 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 52128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 M END