HMDB0277574 RDKit 3D PI(18:3(9,11,15)-OH(13)/20:4(5Z,8Z,11Z,14Z)) 139139 0 0 0 0 0 0 0 0999 V2000 -5.3956 0.6516 5.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8068 -0.5780 6.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6653 -1.8252 5.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6374 -2.6605 5.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2904 -3.9051 4.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9573 -3.9769 3.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5647 -2.8471 2.5222 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4046 -5.1374 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1183 -5.1918 2.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4992 -6.2452 1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -6.2147 1.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4439 -7.2263 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 -6.6349 -0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 -5.4876 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3465 -5.7396 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9832 -4.4055 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3416 -4.3243 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 -2.8341 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9322 -2.4085 1.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 -3.2355 1.9206 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2299 -1.0652 1.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 -0.5154 1.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4339 0.9564 1.9460 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1753 1.5272 2.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 1.1716 2.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5918 1.7721 2.4857 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5717 2.4163 3.8415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 0.4783 2.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 2.8675 1.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2419 4.2030 1.6239 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5186 4.7644 1.0875 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4522 5.0146 2.0865 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 6.0187 0.2772 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4991 6.3059 -0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 5.7165 -0.7028 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2336 6.5350 -1.8067 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 5.8602 0.1597 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0980 5.7087 -0.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 4.8626 1.2563 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0138 3.9049 0.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 1.5677 0.6416 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 2.6645 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9671 2.9250 1.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0452 3.5045 -0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3987 3.0276 -2.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 1.9292 -2.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1393 2.1632 -2.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 1.3064 -2.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6259 0.0846 -1.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3188 -1.1826 -2.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -1.4233 -3.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 -0.5538 -4.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5206 -1.2344 -4.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -0.8110 -4.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 0.4802 -3.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6266 0.0402 -2.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 0.1629 -1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 0.7126 -2.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7011 1.7857 -2.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9357 2.9612 -1.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 3.9599 -1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2299 5.1674 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 0.8035 5.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7148 0.5673 4.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8601 1.5709 6.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8144 -0.4461 6.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0885 -0.6750 7.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6555 -2.1047 5.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6420 -2.4188 5.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 -4.7752 5.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2054 -4.0377 4.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0352 -3.9788 3.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 -2.6475 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0575 -5.9041 2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5378 -4.3318 2.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0443 -7.0765 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 -5.3539 1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1186 -8.0752 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6196 -7.6351 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -7.4760 -1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6518 -6.3626 -1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 -4.9877 -1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 -4.6978 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9739 -6.4922 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -6.1777 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -4.0039 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2443 -3.7355 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1047 -4.8850 0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 -4.7576 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 -2.3310 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 -2.4355 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2612 -0.8863 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6093 -0.8326 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2504 1.3986 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2597 1.0053 3.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 2.5980 2.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8289 -0.2897 3.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3713 4.1820 2.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 4.0365 0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6302 5.9488 2.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0445 6.8975 0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6783 7.2917 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 4.6264 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 5.9526 -2.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0308 6.9258 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 5.6332 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4742 5.3468 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1029 3.2039 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6973 4.4256 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 4.0570 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4349 3.9211 -2.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5131 2.7290 -2.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 1.9802 -3.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9359 0.9308 -2.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7358 3.0626 -3.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 1.6042 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 0.0296 -0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7198 0.0609 -1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7929 -2.1098 -1.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 -2.5310 -3.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 -0.6691 -5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7192 0.4788 -4.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 -2.2776 -4.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5486 -1.4477 -4.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 1.0667 -3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 1.0650 -4.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 -0.3857 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2361 -0.2020 -0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4688 1.1567 -3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5991 -0.1252 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 2.1957 -3.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 1.3458 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 2.6385 -1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 3.4977 -2.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5185 3.4557 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6233 4.2349 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8064 5.8119 -1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0029 5.7947 -0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4972 4.9061 0.2172 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 2 0 19 21 1 0 21 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 23 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 39 30 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 22 92 1 0 22 93 1 0 23 94 1 1 24 95 1 0 24 96 1 0 28 97 1 0 30 98 1 1 31 99 1 6 32100 1 0 33101 1 1 34102 1 0 35103 1 6 36104 1 0 37105 1 1 38106 1 0 39107 1 1 40108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 62139 1 0 M END