HMDB0300349 RDKit 3D DG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/0:0/i-21:0) 131130 0 0 0 0 0 0 0 0999 V2000 -20.0845 0.8789 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0513 1.0978 0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0484 2.1036 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7588 1.8474 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1374 0.5477 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4110 0.0807 -0.9132 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.3170 -0.0313 -1.9464 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3866 1.0950 -1.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1038 0.8447 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0513 1.8051 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7970 1.5987 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3786 0.3683 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0797 0.1577 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6851 -1.1083 0.6873 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5628 -1.5729 -0.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2907 -0.9514 2.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1441 -0.0677 2.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -0.5042 2.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7695 -1.8397 3.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7433 -2.6817 2.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 -2.4687 1.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -1.2325 1.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -0.6367 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 -1.6252 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 -2.5929 -0.0757 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 -1.6196 0.7797 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 -2.6534 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7886 -2.4951 -1.3201 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3955 -2.2135 -1.9604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -1.7035 -1.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9043 -0.3740 -1.6546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 0.6458 -1.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 0.3488 -2.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4367 2.0419 -1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 2.0841 -1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2212 1.3370 0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6195 1.2019 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5597 0.3562 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8285 0.7228 -1.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8364 -0.2079 -2.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2032 -0.2155 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0439 -1.1719 -2.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4072 -1.4893 -1.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4937 -0.5017 -1.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3900 0.6685 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7072 1.4651 -1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7984 2.6564 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9608 2.5267 1.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1831 2.0125 1.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8149 0.7277 1.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2106 -0.4733 2.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1521 -1.6935 2.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9005 -0.9140 1.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6859 1.2735 -1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.0481 1.3855 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.3084 -0.2019 -0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6035 1.5677 1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6277 0.1720 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3454 3.1321 -0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0918 2.6900 -0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3100 0.7378 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7645 -0.2206 0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9346 -0.9048 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4488 -0.9801 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5804 2.0357 -1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9026 -0.1010 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3549 2.7541 -1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0286 2.3386 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0551 -0.4389 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3823 0.9463 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5194 -1.8146 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9266 -0.8036 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3258 -1.8977 2.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1867 -0.3738 2.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2142 0.9911 2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2548 0.2897 3.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7428 -2.4386 3.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5808 -1.7459 4.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6444 -3.7200 3.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 -3.3226 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5876 -0.5234 1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7769 -1.6178 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1709 -0.3205 2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 0.2713 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 -2.6498 0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 -3.5979 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9791 -3.6146 -1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 -2.7262 -2.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 -2.1125 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -1.9791 -2.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 2.7695 -2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 2.3803 -0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4737 1.9342 -2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0814 3.2033 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 0.3116 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6739 1.8828 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 2.2436 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6293 0.8753 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 -0.6921 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5161 0.1985 0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 0.4897 -2.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0593 1.7673 -1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9486 0.1802 -3.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -1.2054 -2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1158 -0.5702 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5006 0.8246 -1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4595 -2.1606 -2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9790 -0.9404 -3.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3994 -2.0443 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8080 -2.3602 -2.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6467 -0.1400 -2.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4558 -1.0786 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6516 1.3823 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1309 0.4710 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4971 0.7185 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7198 1.7165 -2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7845 3.2001 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4889 3.4475 -0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0097 2.0584 1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8410 3.6001 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0773 2.2573 2.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0388 2.8143 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1500 0.3825 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8581 0.8101 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1296 -0.3548 3.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8990 -2.5153 2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0580 -2.0726 1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1848 -1.3546 2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9576 -0.9545 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6380 -1.9320 2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1060 -0.2051 2.0299 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 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 1 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 1 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 0 27 86 1 0 28 87 1 6 29 88 1 0 30 89 1 0 30 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 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 50123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M END