HMDB0285818 RDKit 3D PC(15:0/PGD2) 134134 0 0 0 0 0 0 0 0999 V2000 -5.5672 4.9721 2.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1218 4.7646 2.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6686 3.7612 1.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 2.3531 2.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 2.0470 2.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6849 0.5526 2.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1467 -0.3319 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4483 -1.7572 1.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8677 -2.2467 2.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -2.1596 3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9156 -2.7017 4.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 -2.6755 4.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 -1.2819 4.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 -1.4379 4.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 -0.1687 4.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 0.5697 5.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0528 0.2738 3.3331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7313 1.5168 3.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 1.8810 2.1263 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4733 2.0507 0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 2.4458 -0.1841 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 2.6774 -1.5537 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8242 2.4523 -1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7272 1.5709 -2.7727 O 0 0 0 0 0 1 0 0 0 0 0 0 2.4195 4.2596 -2.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 4.2074 -3.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 5.5712 -3.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0644 6.2562 -4.2055 N 0 0 0 0 0 4 0 0 0 0 0 0 1.6841 6.9726 -2.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2912 7.1867 -5.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 5.3816 -4.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3687 0.8841 1.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 1.1746 1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0122 2.3944 1.9227 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7832 0.2144 1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 -1.1819 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3248 -1.4316 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -2.8739 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 -3.4705 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -2.8120 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6753 -3.1803 -0.5053 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5285 -4.6874 -0.4996 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5605 -5.2250 0.7628 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1017 -4.8376 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6226 -3.7431 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7836 -3.8428 0.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3498 -2.6597 -0.1008 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0679 -1.4125 -0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1534 -1.3945 -1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6217 -0.2137 -2.3319 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8192 0.8946 -1.4845 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7263 0.2168 -3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 -0.8597 -4.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8547 -1.2617 -5.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5437 -2.3477 -6.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8978 -3.5439 -5.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9681 4.6238 3.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 6.1047 3.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2138 4.5907 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6599 4.4837 3.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6671 5.7548 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0552 4.0562 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 3.9051 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4877 1.9947 3.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4727 1.7298 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8219 2.5193 3.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0737 2.3828 1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3419 0.3427 3.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 0.4487 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 -0.1625 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7461 -0.1099 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5705 -1.8269 1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2047 -2.3899 0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3026 -1.7854 3.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1039 -3.3403 3.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9685 -2.8317 2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 -1.1074 2.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3853 -2.0498 5.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2696 -3.7566 4.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 -3.2042 5.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 -3.2647 3.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 -0.6132 5.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 -0.8539 3.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -1.9743 5.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 -2.1326 3.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0758 2.3219 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5385 1.3961 4.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9857 2.8362 2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 2.7265 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 1.0593 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 3.8335 -3.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 3.4637 -4.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 6.1547 -3.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 5.4489 -4.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 6.2661 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6081 7.2148 -2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 7.8780 -3.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4035 7.8302 -5.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 6.6215 -6.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 7.7726 -5.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 4.9641 -3.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 4.6011 -5.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 6.0195 -5.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4242 0.5919 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4897 0.2365 2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2075 -1.8740 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8633 -1.5117 2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8621 -1.1156 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4635 -0.7871 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 -3.4746 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0211 -4.5875 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3223 -3.2789 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 -1.7435 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9587 -2.8371 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 -5.2061 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -6.0145 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3239 -5.8019 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 -4.6178 -2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 -2.3341 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 -0.5108 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7549 -2.2901 -1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -0.3907 -2.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 0.6842 -0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1185 1.1496 -3.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 0.4038 -3.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 -1.7162 -4.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1023 -0.4271 -5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 -1.6196 -4.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 -0.4093 -5.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 -2.6982 -6.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -1.9763 -6.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 -3.8017 -4.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1897 -3.3647 -5.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9698 -4.4234 -6.1525 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 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 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 19 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 47 41 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 18 86 1 0 18 87 1 0 19 88 1 1 20 89 1 0 20 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 29 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 31103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 6 42115 1 6 43116 1 0 44117 1 0 44118 1 0 47119 1 1 48120 1 0 49121 1 0 50122 1 6 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M CHG 2 24 -1 28 1 M END