HMDB0276643 RDKit 3D PI(PGD1/18:1(9Z)) 147148 0 0 0 0 0 0 0 0999 V2000 11.6563 2.4200 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1436 2.4784 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7964 1.2436 0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 -0.0328 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4123 0.0276 -1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0252 -1.1626 -2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6695 -1.6841 -2.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0556 -2.2623 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6714 -2.6935 -1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -2.1928 -0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -1.1684 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8754 0.0678 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -0.2275 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6413 -0.7377 0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 0.2244 1.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 1.5439 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 1.6590 1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 1.1729 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 0.7097 -0.7936 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 1.2066 0.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7781 0.7544 -1.0073 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1067 1.8548 -1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 2.6034 -1.1033 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0445 3.0881 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2923 4.3102 -1.6668 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 2.1289 -1.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9826 1.2996 -2.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3852 0.9720 -3.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1493 0.1122 -2.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9071 -1.3222 -2.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8758 -2.2786 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5566 -2.5704 -0.7660 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8941 -2.7264 -0.0308 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8518 -3.6565 0.9777 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3633 -1.3697 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0773 -0.9585 1.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5342 -1.6490 2.6266 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2794 0.2303 2.0376 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6883 1.3994 1.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3049 2.4656 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6854 3.5833 0.7141 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5348 3.9230 -0.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7360 3.2157 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0514 2.7728 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0906 1.5435 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5383 1.2357 1.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1078 2.3932 2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 0.0965 1.9764 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2181 1.2510 2.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -1.1038 2.5411 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9877 -2.1444 2.8979 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0024 -1.6629 1.7049 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7873 -1.6162 2.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 -0.5379 1.7231 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4244 -0.3487 2.7631 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 0.9766 1.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 -1.1201 0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 -0.3292 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 -3.1178 1.3461 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2685 -3.9598 1.9565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -3.3610 -0.1455 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3695 -4.4049 -0.4351 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6632 -3.7640 -0.5977 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5065 -4.4061 -1.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4499 1.7339 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3504 3.4500 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1130 2.1105 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6093 3.3488 0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3573 2.6212 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8862 1.2006 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7194 1.1383 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6442 -0.8835 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0930 0.1006 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5129 0.2419 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9182 0.9652 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2969 -0.9705 -3.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7226 -2.0414 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6185 -2.5211 -2.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9829 -0.8998 -2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1550 -1.7639 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5966 -3.2718 -0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5755 -3.4644 -2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6160 -2.5728 -1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6220 -0.8160 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1719 -1.5642 1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3679 0.4151 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9566 0.8443 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 0.7507 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.9607 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1852 -1.6737 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6915 -1.1496 0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6634 0.3535 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 -0.3166 2.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 2.1017 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2959 2.1396 2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 2.7946 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9435 1.2662 2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 0.3393 -1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 2.5001 -2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 1.3599 -2.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1376 2.6356 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2231 1.4440 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 0.3071 -2.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4413 1.8577 -3.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8847 1.9450 -3.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2688 0.4665 -4.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2265 0.4152 -2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8481 0.3824 -1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8602 -1.5542 -2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0778 -1.4262 -3.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8469 -3.2134 -2.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8738 -1.8354 -2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -1.6956 -0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6488 -3.1376 -0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0001 -4.5572 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4735 -1.2944 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9297 -0.6388 -0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5386 0.5707 3.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4478 1.3310 0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5323 2.5430 2.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0410 4.4623 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 3.7192 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8279 3.9815 -1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3078 2.3166 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5247 3.5934 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7059 2.5475 -0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7974 0.6468 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5155 1.5532 1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5840 0.3339 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1675 1.1007 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5039 3.1719 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9011 1.9920 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3370 2.8490 2.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4785 0.2018 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7175 1.4322 3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6692 -0.8074 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8206 -2.5375 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9238 -1.0790 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3384 1.4682 2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3331 -1.0157 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 0.1123 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1904 -3.4427 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5874 -4.3482 2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 -2.4708 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -5.1667 0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0278 -4.5279 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5895 -4.7544 -1.9659 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 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 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 2 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 38 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 52 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 58 21 1 0 63 32 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 21 98 1 6 22 99 1 0 22100 1 0 26101 1 0 26102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 1 33114 1 6 34115 1 0 35116 1 0 35117 1 0 38118 1 1 39119 1 0 40120 1 0 41121 1 1 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 47133 1 0 48134 1 6 49135 1 0 50136 1 1 51137 1 0 52138 1 6 56139 1 0 58140 1 0 58141 1 0 59142 1 1 60143 1 0 61144 1 6 62145 1 0 63146 1 1 64147 1 0 M END