HMDB0265064 RDKit 3D PA(PGJ2/20:3(8Z,11Z,14Z)) 123123 0 0 0 0 0 0 0 0999 V2000 -14.3403 0.5860 1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9059 1.3584 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1968 0.6221 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1378 -0.0272 -1.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3674 -1.1174 -1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3359 -1.7020 -2.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0366 -1.6921 -1.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4716 -1.0648 -0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5089 -0.0089 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2721 -0.0290 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6708 -1.0679 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5269 -1.7510 -0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2981 -1.7583 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0375 -1.0791 1.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9712 0.0087 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1591 1.1236 0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 0.8748 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 0.6613 -1.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -0.2341 -1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 0.2956 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3493 1.4436 -0.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -0.2655 0.9486 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 0.2368 1.9206 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2357 -0.6563 2.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 -1.1557 1.6705 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 -1.9355 0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8683 -2.3128 0.2468 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1993 -2.3589 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.8162 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5881 -0.3113 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4103 0.2177 -1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2721 0.9361 -1.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5755 1.2983 -1.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7261 0.7628 -2.1781 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7016 1.2708 -3.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8795 1.7587 -3.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8153 1.6326 -2.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0402 1.8821 -2.8459 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0323 1.1692 -1.6034 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7217 0.0565 -0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9872 0.2267 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6645 -0.8036 1.2177 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8066 -1.8227 1.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9156 -1.3442 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8641 -0.1831 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1300 -0.6202 -0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8868 -1.6591 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2504 -1.0723 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 0.9631 3.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 2.0533 2.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0701 2.9522 3.6201 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5435 2.5411 4.9915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 4.6150 3.4689 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7215 2.7765 3.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2429 0.6321 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7771 1.0766 2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7151 -0.4553 1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7620 2.0133 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1206 2.1458 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7793 1.3521 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9692 -0.1842 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4491 0.7155 -2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6517 -0.4989 -2.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1375 -1.9812 -1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0548 -0.9847 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6676 -2.1870 -3.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3509 -2.1423 -2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2884 -0.4482 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1642 -1.7592 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9172 0.8107 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6225 0.7836 -1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3808 -1.9147 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4881 -0.6040 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6530 -2.2854 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -2.3011 -0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5446 -1.8955 1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8741 -0.7738 1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -0.4491 1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0966 0.4729 2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3752 1.9056 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1503 1.6246 0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8118 0.1199 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5241 1.8344 -1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 1.6662 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 0.2475 -2.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -1.2294 -1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0249 -0.5653 -2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7922 1.1181 1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 -1.4558 3.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7553 -0.0163 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -3.4884 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0322 -2.1712 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 -2.1107 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2963 -2.3036 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4962 0.0336 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 0.0974 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 -0.0075 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 1.2695 -2.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6725 2.4263 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7749 1.0948 -0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7055 -0.3481 -2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7965 1.2314 -4.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0944 2.1980 -4.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9512 2.0673 -0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0002 -0.8600 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6931 1.1739 0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0324 -0.3586 2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9234 -2.1037 2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6826 -1.8504 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3948 -2.0320 1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4073 0.6074 -0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1381 0.2740 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9283 -1.0157 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7902 0.2531 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8128 -1.8941 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2268 -2.5410 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2642 -1.3820 2.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2175 0.0366 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5148 -1.4562 2.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 1.2670 3.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3705 0.2504 3.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 4.7301 2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 3.5008 3.0453 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 2 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 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 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 39 34 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 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 6 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 32 98 1 0 33 99 1 0 33100 1 0 34101 1 6 35102 1 0 36103 1 0 39104 1 1 40105 1 0 41106 1 0 42107 1 1 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 53122 1 0 54123 1 0 M END