HMDB0284260 RDKit 3D PE(22:5(7Z,10Z,13Z,16Z,19Z)/PGD2) 136136 0 0 0 0 0 0 0 0999 V2000 14.8126 6.0678 -0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7554 5.0682 -0.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7798 4.9304 -2.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0103 3.8118 -2.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2834 2.5089 -2.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2392 1.5481 -2.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4325 0.9870 -1.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4698 1.2411 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7069 -0.0719 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8527 -0.5764 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5857 0.0826 1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6147 0.3211 2.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8322 -0.1669 3.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7245 -1.0851 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3337 -1.6758 2.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 -1.5336 1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -0.6992 2.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9133 -1.6493 2.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -1.0562 3.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0153 -0.0184 2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 -0.5029 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 -1.6899 0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -2.2357 1.6849 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5768 -2.2519 -0.5688 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8041 -3.3780 -0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5892 -3.2135 -0.2118 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3406 -4.5514 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3134 -4.8361 -1.7854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 -6.2868 -2.1322 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0884 -6.6742 -1.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9824 -6.0431 -3.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0204 -7.5539 -2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 -7.5228 -1.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -8.7434 -1.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0643 -8.8005 -0.8597 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 -2.2661 -0.9491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 -1.2841 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1088 -1.1949 0.8787 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7506 -0.3289 -1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6687 0.5026 -0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4614 1.4835 -1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2534 0.7205 -2.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5491 0.7726 -2.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4449 1.5717 -1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4389 0.7199 -0.6686 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8143 -0.2186 0.2996 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8509 0.4348 1.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0122 -0.5192 1.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6757 0.8180 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3317 1.1559 2.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3599 1.5733 0.1246 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5953 1.7781 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8046 1.4154 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9495 1.6594 -1.2398 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3970 0.4366 -1.7964 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1166 2.3445 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6521 3.6676 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8187 4.3689 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3714 5.7223 1.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5942 6.3600 1.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3788 7.0041 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3821 5.6012 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5204 6.3233 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7750 5.5419 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8519 4.1264 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5903 5.8288 -2.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0074 3.8005 -4.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2330 2.1429 -2.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5672 2.5630 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1448 1.2991 -3.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6492 0.2626 -2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6694 1.8570 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4064 1.8341 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6452 -0.6201 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0390 -1.5477 1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4348 1.0775 0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7370 -0.4919 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 1.0262 3.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0207 0.1553 4.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0136 -2.0180 4.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8424 -0.7302 4.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0293 -2.3901 1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 -2.0603 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 0.0908 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 -0.2640 3.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2934 -2.3858 3.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8003 -2.2076 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -1.8034 3.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9216 -0.5139 3.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0351 0.2341 2.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 0.9181 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1384 0.3230 0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6311 -0.6279 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2388 -4.2764 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7977 -3.6458 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -3.0018 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -5.3364 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 -4.5146 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8785 -5.1370 -3.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 -6.6398 -1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3306 -7.6346 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 -8.6273 -2.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 -9.6328 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 -9.3891 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 -7.8398 -0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3111 -0.9415 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0519 0.3283 -1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0202 1.0217 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3845 -0.1279 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0436 2.0893 -0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6866 2.1167 -1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7102 0.0538 -2.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0518 0.1497 -3.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0799 2.2132 -2.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9694 2.3133 -0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0156 0.1175 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4206 -1.1581 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9290 0.1464 2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5712 -0.8507 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6737 -1.2645 0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9059 2.5612 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4632 2.2555 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9353 0.9312 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6433 2.3166 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5641 -0.0228 -2.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4447 1.6581 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9273 2.4278 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2315 4.3175 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8614 3.4435 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1841 3.7286 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5844 4.5645 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0580 6.3889 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5644 5.5857 1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4421 6.1902 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4345 7.4574 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7909 5.8707 2.8036 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 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 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 51 45 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 4 67 1 0 5 68 1 0 5 69 1 0 6 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 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 0 25 95 1 0 26 96 1 1 27 97 1 0 27 98 1 0 31 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 6 46117 1 6 47118 1 0 48119 1 0 48120 1 0 51121 1 1 52122 1 0 53123 1 0 54124 1 6 55125 1 0 56126 1 0 56127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 59132 1 0 59133 1 0 60134 1 0 60135 1 0 60136 1 0 M END