HMDB0284262 RDKit 3D PE(22:5(7Z,10Z,13Z,16Z,19Z)/6 keto-PGF1alpha) 139139 0 0 0 0 0 0 0 0999 V2000 16.2478 5.4555 -2.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4589 4.3127 -1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2242 4.0671 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5159 2.9713 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9865 1.7556 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2470 0.7178 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6852 -0.4294 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6865 -1.0414 -0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1473 -0.4671 -1.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8692 -0.1317 -2.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8668 -0.2882 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7941 -1.1976 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -0.8904 -1.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0397 0.4741 -1.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 1.0287 -2.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0795 1.4095 -2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2519 1.3383 -1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0856 0.4015 -1.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 0.3890 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.0022 1.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 -0.0607 2.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 -1.0976 2.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8634 -1.3757 3.7595 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 -1.8426 1.5585 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -2.8179 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 -2.2577 2.2802 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3722 -3.4046 2.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5457 -4.0572 1.3141 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 -5.3371 1.4585 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0305 -4.9278 0.9811 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7134 -5.7344 3.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -6.6689 0.6332 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5337 -6.4087 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -7.6965 -1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 -8.3324 -0.4705 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9858 -1.4348 1.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3188 -0.1286 1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.4510 2.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 0.5982 0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5249 0.4019 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9431 1.0525 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3745 0.8910 2.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 1.3533 1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0812 1.8296 0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8083 1.1853 1.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7753 1.1428 0.6182 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5498 -0.0295 -0.3355 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3200 -0.0737 -0.9148 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8024 -1.2020 0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9621 -0.7275 1.4581 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6791 -0.9520 2.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1531 0.7132 1.1660 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.0968 0.9875 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8307 0.1264 -0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7406 0.3906 -1.7176 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.0982 0.3409 -1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4493 1.3445 -2.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2048 2.7651 -2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1703 3.7199 -2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5322 3.5905 -0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5664 4.6743 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1442 5.6491 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0322 6.3391 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3646 5.2649 -2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9240 3.4695 -1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1852 4.7704 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 4.9292 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5971 2.8958 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1847 1.5105 -1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9339 1.9793 -1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0281 0.9764 0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0547 -1.0601 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8552 -1.5121 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2179 -2.0436 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7447 -0.3015 -2.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5005 0.3029 -3.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 -0.6935 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4983 0.7278 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 -2.2185 -1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -1.6485 -1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3014 0.3198 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 1.1546 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 1.1250 -3.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 1.8021 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 2.3816 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8445 1.2907 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 -0.6216 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 0.7879 -1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9337 1.4493 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -0.3137 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0177 0.6855 1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6216 -1.0056 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 0.9152 2.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 -0.2325 3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 -3.4225 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2943 -3.5375 2.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 -1.7074 3.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 -4.0695 3.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -2.9931 2.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 -4.8908 3.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3567 -6.0402 -1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -5.7107 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5959 -7.4277 -2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 -8.4004 -1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8674 -7.7928 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3281 -8.6794 0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 1.6779 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 0.2216 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -0.6590 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9832 0.9733 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 0.6364 2.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 2.1418 1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5972 -0.1507 2.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5117 1.4967 3.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9092 0.3449 2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0294 2.1143 2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8637 2.1021 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4142 -0.0117 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7517 -0.7353 -0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0625 -2.1315 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 -1.4247 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8425 -1.3505 1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0138 -0.2002 3.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4250 1.3226 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1859 2.0373 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7581 -0.9456 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7533 -0.6486 -2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1471 -0.2014 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5258 0.9184 -3.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2576 1.2151 -3.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1599 3.0512 -2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1069 3.1195 -3.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7965 4.8015 -2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1314 3.7712 -2.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8676 2.6429 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6177 3.9039 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4066 4.9709 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5139 5.5387 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5471 4.1901 -0.3793 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 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 52 46 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 45115 1 0 45116 1 0 46117 1 6 47118 1 6 48119 1 0 49120 1 0 49121 1 0 50122 1 6 51123 1 0 52124 1 1 53125 1 0 54126 1 0 55127 1 6 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 60135 1 0 60136 1 0 61137 1 0 61138 1 0 61139 1 0 M END