HMDB0288067 RDKit 3D PC(22:2(13Z,16Z)/PGF1alpha) 155155 0 0 0 0 0 0 0 0999 V2000 2.0384 6.0997 5.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1209 6.0846 4.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 5.3489 3.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 3.8983 3.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4568 3.3938 3.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 3.8833 3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6915 3.0938 2.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6145 1.6575 2.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6052 0.8352 3.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6149 1.1826 3.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0143 2.5357 4.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3923 2.8869 3.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 1.9330 4.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7993 2.2554 3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7786 2.1856 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4172 0.8347 1.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3084 0.8102 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2268 1.7296 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0207 1.7446 -1.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8644 2.6888 -2.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 2.7553 -3.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 3.6720 -3.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 4.8856 -3.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 3.2052 -4.2789 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 4.0051 -4.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1111 3.1921 -5.0279 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6629 2.5182 -6.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3992 3.5388 -7.2208 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 3.0376 -8.7354 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1572 3.0314 -9.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 4.1650 -9.4580 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.7157 1.4933 -8.7231 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 1.1227 -9.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8798 -0.2630 -9.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8893 -1.2793 -9.5691 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.4816 -1.8785 -10.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5191 -2.3689 -8.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -0.8673 -8.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 2.1976 -4.0902 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 1.9614 -3.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 2.6904 -3.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 0.8288 -2.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 0.6679 -2.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2707 -0.4244 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -0.2516 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7011 -1.4224 1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8621 -1.1312 2.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 -2.1283 3.4899 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0992 -1.6920 4.6437 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3444 -0.5568 4.3864 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1501 -2.8236 4.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 -3.5353 3.6397 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1357 -2.7153 2.8846 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 -3.4544 3.0147 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2824 -4.5740 3.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9457 -5.5765 4.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 -6.6443 4.3292 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8837 -6.1452 5.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3867 -7.9267 4.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 -8.6072 4.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1057 -7.9915 3.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1876 -7.7153 4.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 -8.9471 5.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2009 5.3528 6.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 5.9576 4.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 7.1229 5.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1113 5.7625 4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3077 7.1746 3.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 5.8799 2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 5.5418 2.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 3.3209 3.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 3.5389 1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 3.6420 4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 2.2854 3.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0318 4.9846 3.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 3.6081 2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 1.2662 2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 1.3809 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4853 -0.2830 3.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 0.3287 4.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2197 2.4532 5.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2857 3.3242 4.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6239 3.9354 3.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3537 2.6988 2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1198 0.9025 4.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4006 2.0338 5.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5220 1.5628 4.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0623 3.2944 4.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8437 2.4408 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1834 3.0252 1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 0.1483 1.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5277 0.3813 2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2826 1.0013 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0216 -0.2286 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 1.4205 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3854 2.7791 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9460 2.0358 -2.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7706 0.7239 -2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9712 2.3239 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1399 3.7085 -1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2798 1.7746 -3.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4493 3.0983 -4.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 4.8360 -5.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2034 4.5074 -3.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 3.8392 -5.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 1.8132 -6.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3052 2.0270 -6.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 1.1479 -10.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 1.7995 -10.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 -0.5062 -10.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6649 -0.3608 -9.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4093 -2.0727 -11.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.8101 -10.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -1.1633 -11.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 -2.6711 -9.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -3.2472 -8.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6526 -2.0750 -7.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8382 -0.0998 -9.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 -0.5023 -7.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 -1.7680 -8.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.0565 -3.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0911 1.1610 -1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8421 0.5096 -2.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 1.6425 -1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3413 -0.4885 -0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0695 -1.4475 -1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 0.6581 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 -0.2965 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 -1.4776 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3378 -2.3473 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8051 -1.0287 2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 -0.0909 2.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0061 -2.3369 3.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -1.4606 5.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 -0.4150 5.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1702 -2.4025 5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5009 -3.4570 5.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5345 -4.4962 3.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -2.9823 3.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 -3.4591 1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 -4.5779 2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9952 -5.4921 4.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5592 -6.8149 3.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 -5.6038 5.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 -8.6247 4.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -7.7588 5.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2922 -9.7157 4.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9206 -8.7313 2.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 -7.0792 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 -8.7025 2.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -7.0223 5.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7294 -7.2352 4.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 -9.8186 5.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2815 -8.7439 6.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 -9.2598 5.3356 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 1 0 13 14 1 0 14 15 1 0 15 16 1 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 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 54 48 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 6 27106 1 0 27107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 36112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 38120 1 0 42121 1 0 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 48133 1 1 49134 1 1 50135 1 0 51136 1 0 51137 1 0 52138 1 1 53139 1 0 54140 1 6 55141 1 0 56142 1 0 57143 1 6 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 63155 1 0 M CHG 2 31 -1 35 1 M END