HMDB0296519 RDKit 3D DG(21:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0) 130129 0 0 0 0 0 0 0 0999 V2000 -15.9465 -3.7046 1.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6626 -2.5007 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2890 -2.5524 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1444 -1.3128 -1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2528 -0.0355 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2239 0.1404 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8525 0.0942 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7497 0.3052 0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8403 1.6124 1.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8310 2.8612 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7153 3.3589 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2518 2.4943 -1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1690 3.2002 -1.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7325 2.2476 -2.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0936 0.9763 -2.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8891 1.4017 -1.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1192 0.2775 -1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5796 -0.7135 -2.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -0.1055 -3.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 0.6298 -2.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5369 -0.1420 -1.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -0.2287 -0.5606 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -0.7617 -2.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5087 -1.5071 -1.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 -0.6192 -0.9163 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7938 0.6232 -1.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 1.5405 -0.8031 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3908 -1.2149 -0.3024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5371 -1.2662 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6392 -0.7523 1.7762 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 -1.9240 1.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -1.8494 3.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9221 -0.4936 3.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0044 0.4166 3.2833 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9772 0.6778 1.9241 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3734 0.1562 3.8383 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3140 -0.1591 5.1693 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0816 -0.8110 2.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3912 -0.7247 2.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0177 -1.7084 1.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3224 -1.6973 1.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9548 -2.6709 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2292 -2.6426 0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0943 -1.6347 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4026 -1.6370 0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3284 -0.6197 1.3395 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0988 -1.1547 2.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2972 -0.2149 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6263 0.3756 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6137 0.7676 -2.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6104 1.7899 -1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5685 2.1589 -2.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9788 -4.0075 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6409 -3.4149 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3355 -4.5655 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7648 -1.5633 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4330 -2.4385 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4902 -2.7207 0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2644 -3.4184 -1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1857 -1.3710 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9401 -1.3233 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0594 0.7944 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2897 0.1592 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2971 -0.6283 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4099 1.1172 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6533 -0.8487 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8343 0.9103 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7998 0.0807 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9788 -0.4698 1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7027 1.6407 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9451 1.6442 2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0213 3.6915 1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7921 2.9507 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9218 4.4108 -0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8662 3.5851 0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7691 1.5872 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0104 2.1387 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3671 3.6202 -1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6290 4.0720 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9856 2.7129 -3.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6385 1.9357 -3.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7487 0.3532 -1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7229 0.4292 -3.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 2.0686 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1854 2.0614 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8277 -0.3113 -0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3163 0.6007 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3813 -1.2813 -2.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9919 -1.4664 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 0.4831 -3.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3049 -0.9726 -3.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 1.0883 -3.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8869 1.4381 -1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1503 -1.9358 -2.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 -2.3415 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6191 -0.2444 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5317 0.3520 -2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 1.0679 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7011 2.2448 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -3.0101 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -1.4654 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6561 -2.5464 3.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 -2.3142 3.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 -0.6095 4.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9052 -0.0199 3.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7377 1.4528 3.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 1.3916 1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0029 1.1005 3.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 0.5038 5.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5613 -1.6164 2.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9319 0.0816 3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 -2.4972 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8688 -0.8980 2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2977 -3.4383 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6806 -3.4093 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7795 -0.8363 1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7569 -2.4117 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7796 0.2848 1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8723 -0.7853 3.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9902 0.5262 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9070 -1.0862 -0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9437 -0.3601 -1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0586 1.2908 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1197 1.1756 -2.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1859 -0.1158 -2.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1945 1.2828 -0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0825 2.6870 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6110 2.0634 -2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4297 3.2398 -2.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4253 1.5042 -3.4861 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 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 20 92 1 0 20 93 1 0 24 94 1 0 24 95 1 0 25 96 1 1 26 97 1 0 26 98 1 0 27 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 1 35107 1 0 36108 1 1 37109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 43115 1 0 44116 1 0 45117 1 0 46118 1 1 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END