HMDB0262363 RDKit 3D PE(PGE2/20:4(5Z,8Z,11Z,14Z)) 132132 0 0 0 0 0 0 0 0999 V2000 5.8926 2.9280 -6.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 1.8752 -6.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8228 2.1767 -7.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7111 1.1909 -7.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8302 1.1214 -6.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1623 2.3931 -5.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 3.0803 -4.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 2.6037 -3.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 3.5961 -3.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 4.1651 -2.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4613 3.9869 -1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9415 5.3343 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 5.9227 0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 5.2400 1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 6.0623 1.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 6.6155 2.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4472 6.5140 3.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 5.9049 4.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 4.4951 4.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7594 3.6492 4.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6965 3.1528 5.8272 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 3.3295 3.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6537 2.5194 4.2662 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3939 1.2877 3.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0233 1.4333 2.1619 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 0.2274 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8543 -0.8832 2.0776 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3232 0.2150 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 0.2698 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 0.2382 -1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 0.3121 -1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0523 -0.5599 -1.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6171 -1.7871 -2.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0342 -3.0705 -1.7306 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4902 -3.1333 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 -3.5699 -0.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5068 -2.5691 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8149 -2.8084 -0.0709 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7164 -1.7576 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4877 -3.2155 -1.5077 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0204 -4.5885 -1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3814 -5.6857 -1.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0532 -7.0212 -2.0401 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8501 -7.1341 -3.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0096 -8.1076 -2.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1683 -8.0859 -0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1392 -9.1849 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2136 -9.0362 -2.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -7.7295 -1.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3789 3.3569 4.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 4.3576 5.3975 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 5.2169 5.5397 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8363 4.3288 6.3041 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 6.6325 6.4189 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 5.4956 4.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8856 6.8376 3.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4719 7.0698 2.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6249 6.1815 2.4527 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7554 3.6116 -7.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9372 3.5329 -5.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9274 2.4846 -6.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 0.9018 -6.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3995 1.7735 -5.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 2.1933 -8.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 3.1712 -7.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 0.1692 -7.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0403 1.5381 -8.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 0.7170 -5.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 0.3778 -6.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5225 2.7663 -6.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 4.0402 -4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 1.5889 -3.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4028 2.5516 -2.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 3.8735 -4.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0992 4.9044 -2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 3.4668 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 3.3760 -1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 5.7840 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 6.9075 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6321 5.3252 2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4826 4.2342 1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8987 6.2129 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9122 7.2189 2.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 7.5437 4.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5528 5.9215 3.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5190 6.5060 4.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3508 5.9270 5.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8154 4.1535 4.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1094 4.3881 3.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 2.2071 5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6118 0.6990 4.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3089 0.6535 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 -0.6445 -0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 1.1333 -0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5862 1.1367 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -0.6494 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3702 1.2075 -1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2584 -0.5483 -2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5585 1.2318 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1025 -0.3266 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5772 -1.8803 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1767 -1.8390 -3.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 -3.8736 -2.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -1.4955 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4509 -3.0441 1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3193 -3.6553 0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6124 -2.1244 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0323 -2.5343 -2.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1093 -4.6920 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -5.6517 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 -7.1682 -1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 -7.7211 -2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5001 -9.0963 -2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3273 -7.8949 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 -7.1359 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7915 -8.2129 0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 -10.1483 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 -9.2515 0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7358 -9.1624 -2.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4559 -9.8464 -1.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -7.3739 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5752 -7.8719 -2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 -6.9676 -2.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5513 2.7249 4.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0439 3.7924 3.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4434 6.7736 6.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 6.9574 4.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0328 7.5198 4.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7345 6.8462 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7797 8.1305 2.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0288 6.2692 1.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3066 5.2174 2.5986 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 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 3 65 1 0 4 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 23 90 1 1 24 91 1 0 24 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 6 37104 1 0 37105 1 0 38106 1 1 39107 1 0 40108 1 6 41109 1 0 42110 1 0 43111 1 1 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 54126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 M END