HMDB0283705 RDKit 3D PE(PGD1/20:5(5Z,8Z,11Z,14Z,17Z)) 132132 0 0 0 0 0 0 0 0999 V2000 10.1624 3.8344 4.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3198 2.7488 3.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1168 1.9133 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1426 0.6379 3.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3079 -0.1382 4.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 -1.2655 3.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2390 -1.7474 2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0371 -1.1911 1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 -2.1533 1.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3732 -2.4984 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9387 -1.8429 -0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5587 -2.8195 -1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3467 -3.0410 -2.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.3821 -3.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6387 -1.2656 -3.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3121 -1.1444 -3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -2.2113 -4.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 -2.7576 -3.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 -1.8105 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9123 -0.7736 -1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9723 -0.8874 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2086 0.4276 -1.4703 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6687 1.4069 -0.5903 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5583 1.9700 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 1.1011 1.0131 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 0.0444 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0698 -0.2093 -0.5693 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 -0.7471 1.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 -1.7621 0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6087 -1.0996 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5137 -2.1216 -0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2815 -2.9861 0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2024 -2.1730 1.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2076 -1.3809 0.5892 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1365 -2.1431 -0.2737 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6053 -2.9419 -1.2346 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0660 -2.8195 0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0472 -1.9406 1.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6629 -2.1912 2.9209 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1722 -0.7746 1.5968 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9878 0.2936 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3025 0.2625 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0994 1.3473 0.2481 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9063 1.2535 -1.1367 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5555 1.1107 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6950 1.1467 2.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1009 0.9261 2.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0843 0.9903 4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5870 2.3387 4.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2421 2.5952 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 3.1289 -2.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 4.4164 -3.1505 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2701 4.4486 -3.2224 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1813 5.8934 -2.5916 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 4.1249 -4.7451 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 3.3305 -4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 3.0741 -6.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6277 2.2514 -6.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7065 3.5749 5.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0965 3.9700 4.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5019 4.8168 4.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2822 2.2733 3.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2416 3.3208 2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1115 2.3672 3.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1575 0.0717 3.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2699 -0.4738 5.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2078 0.5618 4.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6824 -1.8262 3.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7323 -2.6533 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7927 -0.1540 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4783 -1.1293 0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5492 -2.5850 2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5633 -3.2068 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9254 -1.5896 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3507 -0.8601 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3498 -3.5124 -1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9745 -3.8971 -3.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8888 -3.1701 -4.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1302 -1.9771 -4.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1531 -0.3269 -3.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 -0.1846 -3.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -1.8288 -4.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 -3.1069 -4.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8524 -3.5472 -3.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9737 -3.3302 -2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6595 -2.4406 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 -1.3326 -3.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5321 1.0429 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0262 2.7207 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8903 2.6003 -0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1214 -1.2442 2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 -0.0374 2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8751 -2.3802 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9448 -2.5005 1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -0.3975 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 -0.4969 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -2.7218 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2131 -1.4973 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8128 -3.8150 -0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -3.4868 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5669 -1.4748 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6727 -2.8634 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7352 -0.4976 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7718 -1.3725 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5268 -2.4817 -2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8005 -3.8578 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1123 -2.8148 0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6394 -0.4162 2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4587 1.1408 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7969 -0.6027 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7298 2.3214 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7648 1.3332 -1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2082 1.8211 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7898 0.0660 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3685 2.1348 2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0598 0.3856 2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8256 1.6699 2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5096 -0.0663 2.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1494 0.8943 4.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4438 0.1712 4.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9264 3.1585 3.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9273 2.4731 5.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4632 2.3013 4.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 2.1579 -2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 3.3362 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 6.5680 -3.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2323 3.8829 -4.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2308 2.3656 -4.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 2.5213 -6.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 3.9993 -6.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4057 1.2540 -6.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1513 2.3189 -5.1810 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 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 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 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 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 1 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 6 35104 1 6 36105 1 0 37106 1 0 37107 1 0 40108 1 1 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