HMDB0262225 RDKit 3D PE(PGD1/20:3(5Z,8Z,11Z)) 136136 0 0 0 0 0 0 0 0999 V2000 16.8519 -1.7281 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6056 -1.0999 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0130 -0.4469 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9619 0.2339 -2.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8162 -0.4627 -2.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8454 -1.1973 -2.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2582 -0.2627 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2323 -1.0307 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1467 -1.5020 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9001 -1.1295 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 -0.1723 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0325 1.0833 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9127 1.6640 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 1.2846 0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 0.0931 1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9178 -0.9147 1.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8414 -0.9094 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8433 -2.1038 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7077 -1.9300 -1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 -1.7914 -0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7552 -2.8035 -0.5891 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 -0.6017 -0.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 -0.2472 0.4491 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8329 0.9057 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 1.3132 0.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7146 2.3965 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 2.8925 -0.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 2.9393 1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 2.1230 1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8212 1.5936 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1567 0.6029 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8614 0.1282 -1.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1866 -0.4714 -1.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3380 0.4503 -1.5841 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3874 1.5311 -2.6500 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8383 0.9518 -3.8236 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8858 1.7199 -2.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4069 0.3405 -2.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3108 -0.1550 -3.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6559 -0.2843 -1.7013 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.4325 -0.1540 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7433 -1.2795 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5015 -1.0856 1.5040 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1408 0.1733 2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9696 -1.1129 1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6819 -2.3181 1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4505 -2.8233 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8304 -1.7960 -1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5739 -2.4215 -2.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3466 0.0754 1.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 0.4259 2.6867 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 0.7299 4.2315 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2414 0.6357 5.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 -0.4613 4.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7058 2.2131 4.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 3.1911 4.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7005 4.5001 4.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8904 4.2757 5.7699 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5341 -2.1062 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6526 -0.9414 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2387 -2.5018 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9244 -1.9381 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2340 -0.3530 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7852 0.3437 -1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6381 -1.1437 -2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6020 1.1304 -1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4524 0.7995 -3.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1353 -1.0913 -3.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1903 0.3436 -3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9683 -1.4252 -2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1233 -2.1844 -1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7858 0.5803 -1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0158 0.1795 -0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8308 -1.9713 0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9988 -0.5413 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4403 -2.2212 -1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1471 -1.5099 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2872 -0.0417 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7067 -0.7541 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7074 1.6506 -1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7356 2.6785 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8182 1.4736 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7517 2.1472 1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5261 -0.0639 2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0672 -1.7515 2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -0.0061 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8776 -0.9395 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 -2.9944 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8043 -2.2223 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -1.0532 -2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -2.8762 -2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 -1.1611 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 0.5724 -1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1291 1.7575 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 3.2165 2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1313 3.9576 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7296 2.7598 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7975 1.2748 2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 0.9690 0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3688 2.3664 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 0.9168 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -0.3661 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8731 1.0476 -2.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1469 -0.5408 -2.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1931 -1.3468 -1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4282 -0.9270 -2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2735 0.9651 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9087 2.4674 -2.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5098 0.2949 -4.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3529 2.4758 -2.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9908 1.9605 -4.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4139 -1.3551 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7111 0.8299 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4043 -2.1933 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0768 -1.8131 2.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7650 0.8734 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3387 -0.8893 2.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3992 -0.2429 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6376 -3.1612 1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7963 -2.0580 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2038 -3.6732 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4402 -3.1837 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2278 -0.8803 -1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9127 -1.5638 -1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6348 -2.9937 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5857 -1.6605 -3.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4506 -3.1008 -3.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -0.7889 2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 0.9080 1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6482 -1.2416 5.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 3.3582 4.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 2.9270 5.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 4.6983 3.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0793 5.3303 5.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 3.2951 6.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7641 4.4517 5.2458 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 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 1 24 93 1 0 24 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 1 35108 1 1 36109 1 0 37110 1 0 37111 1 0 40112 1 6 41113 1 0 42114 1 0 43115 1 1 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 54130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 M END