HMDB0262571 RDKit 3D PE(PGE2/20:5(5Z,8Z,11Z,14Z,17Z)) 130130 0 0 0 0 0 0 0 0999 V2000 16.3979 2.2521 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8805 2.0630 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6335 1.3338 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9091 1.7979 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2597 3.0789 1.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8402 3.2521 1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8849 2.4144 1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 0.9440 1.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2638 0.4633 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3463 -0.4255 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9445 -1.0804 1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0864 -2.5811 1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0282 -3.3137 1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6825 -2.8609 1.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7498 -3.3026 0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0545 -2.4582 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0414 -1.0121 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4777 -0.3081 -1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6114 -0.6255 -2.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2447 -0.1940 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.0951 -3.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 0.1391 -1.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.5878 -1.0695 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9689 1.8022 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 2.4898 -0.4292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 3.0108 -1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1162 2.7547 -2.5918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 3.7853 -1.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 3.0407 -2.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4423 1.8561 -2.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1276 2.4190 -0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4103 2.3779 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3517 1.7470 -1.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1671 0.6800 -0.8912 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9313 1.3759 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6712 1.3113 1.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0409 2.1355 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2713 1.4991 -1.7544 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0788 2.3381 -2.8461 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3266 0.2974 -1.7793 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1212 -0.8334 -1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9318 -1.4783 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7816 -2.6168 0.3518 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0348 -3.4576 1.1637 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9174 -2.0542 1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7928 -1.1460 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9353 -0.5715 1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8447 -1.6490 1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0071 -1.0399 2.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 -0.5797 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9137 -0.7446 0.9108 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 -2.0925 1.5594 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7671 -2.5001 2.8832 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 -3.4377 0.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 -1.8125 1.7443 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1607 -2.9922 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6373 -2.9357 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3193 -1.9816 0.7905 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7119 2.0114 -2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8843 1.5166 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6950 3.2961 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3731 3.0193 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6256 1.3733 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0897 0.3113 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8480 1.1322 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6370 3.7540 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7351 3.6555 2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4998 4.3542 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8319 2.7880 1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0498 0.5970 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5958 0.5296 2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5182 0.9100 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8087 -0.7431 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -0.7575 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6786 -0.8512 2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0704 -3.0027 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1679 -4.4050 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3576 -3.5399 2.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -1.8703 2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 -4.4066 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3931 -2.8933 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -0.5988 0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 -0.6592 0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5619 -0.4941 -1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 0.7993 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6532 -1.7482 -2.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0237 -0.2069 -3.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 0.6262 -2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 1.5230 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8027 2.5677 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3545 4.2101 -1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 4.6694 -2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 3.7162 -3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 2.6452 -3.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0325 1.2660 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 1.2469 -1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4999 2.9038 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8428 2.8447 0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0461 2.5642 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9006 1.3622 -2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5363 -0.1178 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9244 2.0311 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7452 3.2103 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3196 1.0796 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5431 3.1767 -2.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0088 0.1099 -2.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9683 -1.1497 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1116 -1.2089 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1894 -3.1849 -0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6698 -4.0509 1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4778 -2.8499 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4482 -1.4098 1.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2385 -1.6705 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1712 -0.2965 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5839 0.0864 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5560 0.0545 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2097 -2.2833 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2845 -2.2984 2.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6769 -0.0475 2.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2497 -1.6801 3.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9201 -0.9356 1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 -0.4171 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6488 -1.5394 -0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1966 -4.2856 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 -3.7697 2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 -3.2498 0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 -2.8137 2.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 -3.9500 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9602 -2.4080 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7451 -1.2154 0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 40 34 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 6 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 1 37102 1 0 37103 1 0 38104 1 1 39105 1 0 40106 1 6 41107 1 0 42108 1 0 43109 1 6 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 49121 1 0 50122 1 0 50123 1 0 54124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 58129 1 0 58130 1 0 M END