HMDB0286406 RDKit 3D PC(PGD1/18:1(11Z)) 143143 0 0 0 0 0 0 0 0999 V2000 8.3299 -0.0995 -3.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 -1.4087 -3.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9712 -2.4442 -2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 -2.9960 -2.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8105 -1.9759 -1.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5185 -2.6142 -0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9088 -3.5583 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 -3.4515 1.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -2.3868 1.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 -2.9235 2.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 -1.7540 3.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 -2.1120 3.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6696 -0.8301 4.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -1.1597 4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 0.0693 5.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 1.1137 4.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 0.5746 3.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 1.5334 2.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6067 1.4958 1.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0022 2.5079 2.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5447 3.4763 1.8519 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5160 4.8924 2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3317 5.5656 2.4186 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 5.3406 3.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 4.2537 3.7408 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 6.1876 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3187 5.5255 2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 5.0595 1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 4.1117 0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 3.6373 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 2.8274 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4161 2.3481 -1.9528 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7606 3.4075 -2.9335 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3890 4.6954 -2.6142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 3.2967 -3.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5173 1.8481 -2.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2982 1.1167 -3.4787 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 1.3818 -1.8870 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2208 -0.0405 -2.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 -0.6083 -2.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7863 -2.0535 -2.3829 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8719 -2.3312 -3.7643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -2.9624 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 -4.4019 -1.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 -5.3850 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7642 -6.8178 -1.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6867 -7.8006 -0.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 3.0917 1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8116 2.9478 2.5388 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3393 2.5117 1.8978 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.1660 1.7673 2.9107 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0767 3.9613 1.4061 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.0550 1.5789 0.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1118 1.6189 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8078 0.7736 -1.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 1.1731 -2.3105 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.4517 0.4165 -1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3251 2.5681 -2.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9035 0.8351 -3.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3465 0.0724 -3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9717 0.7463 -3.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2730 0.1423 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0046 -1.1825 -3.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4180 -1.7830 -4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6691 -3.2811 -2.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5589 -2.0087 -1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -3.7434 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1680 -3.6220 -2.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4514 -1.2619 -2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 -1.3987 -0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -3.1495 -1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8848 -1.7792 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5304 -4.4058 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8715 -4.2119 2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5358 -1.5037 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2554 -2.0017 2.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 -3.5663 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 -3.5673 1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -1.0229 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -1.2242 3.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6276 -2.6291 3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -2.7304 4.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 -0.3289 5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 -0.1163 3.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3322 -1.7033 4.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -1.8710 5.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 -0.2435 6.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 0.5057 6.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 1.5878 3.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2073 1.9135 5.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 -0.3406 3.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5504 0.2096 4.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0007 3.4066 0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1769 5.0381 3.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1281 5.4730 1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 7.0784 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 6.6950 4.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1818 6.2178 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 4.6416 3.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 4.5332 1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7009 5.9212 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 3.2568 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 4.7093 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 4.5691 -1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 3.0209 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 1.8950 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 3.2983 -0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 1.8272 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 3.1562 -3.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 5.0193 -3.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 3.9105 -2.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5423 3.6459 -4.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 1.5099 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 -0.7479 -1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1674 0.0240 -2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 -2.2847 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -2.3714 -4.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7346 -2.8540 -0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 -2.8337 -2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -4.5016 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2006 -4.5833 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 -5.2312 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 -5.2182 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 -6.9328 -1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 -6.9852 -2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5366 -7.7467 0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 -8.8161 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 -7.5831 -1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3664 3.9194 0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9563 2.1832 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4295 2.6482 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0101 1.1433 0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6106 -0.2678 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7027 0.6374 -2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9361 -0.0349 -2.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 -0.4299 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 1.0458 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2115 3.2280 -2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5876 2.7997 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7981 2.8380 -3.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2889 1.5475 -4.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9856 1.0207 -3.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6265 -0.2136 -3.9367 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 2 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 21 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 38 32 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 6 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 6 33109 1 6 34110 1 0 35111 1 0 35112 1 0 38113 1 1 39114 1 0 40115 1 0 41116 1 1 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 57135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 M CHG 2 52 -1 56 1 M END