HMDB0007695 RDKit 3D DG(22:4(7Z,10Z,13Z,16Z)/22:0/0:0) 136135 0 0 0 0 0 0 0 0999 V2000 -1.1144 -3.4567 3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 -3.1593 1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 -1.9384 1.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 -1.5650 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4802 -0.2959 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 0.8150 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 1.4786 1.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 1.2555 1.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6711 2.4984 1.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 2.7041 1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 1.7034 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6021 2.2698 -1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1793 1.6896 -2.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 0.3855 -2.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 -0.5823 -2.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -1.1549 -4.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 -0.9454 -4.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -2.2690 -4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4254 -2.2326 -5.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 -1.7812 -6.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8976 -1.8116 -7.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9751 -1.0067 -6.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0847 0.2160 -7.0357 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9019 -1.5599 -5.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9776 -1.0084 -5.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 0.0198 -4.2843 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9293 0.4664 -3.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6477 -0.6499 -3.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 1.1475 -4.7184 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 1.6756 -4.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 1.0330 -3.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 2.8964 -4.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6438 4.1578 -4.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 4.4776 -2.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 3.6477 -1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 3.5606 -1.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7643 2.6645 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 3.0866 0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 2.0730 1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3441 2.4024 3.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9051 1.3424 4.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5288 1.4670 5.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0163 1.3779 5.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5733 1.5032 7.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 1.4217 7.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4858 0.1193 6.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9977 0.1356 6.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6623 -1.1147 6.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -1.5068 4.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1928 -2.7923 4.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9935 -3.2797 3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 -4.5504 3.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5438 -2.6825 3.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -4.4248 3.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -3.5302 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 -2.9990 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -4.0430 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6668 -2.1302 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 -1.1002 1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 -2.4132 -0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -1.2794 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -0.0955 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4764 -0.6145 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1466 1.0616 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0847 2.2729 1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 0.3896 1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 1.0818 3.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2814 3.3927 2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2106 3.7329 1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0086 0.7528 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 1.6998 0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0882 3.2798 -1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 2.1991 -3.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 -0.0988 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 0.5126 -2.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3159 -0.7970 -2.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5008 -1.8909 -4.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 -0.2255 -4.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -0.5674 -5.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 -2.5768 -3.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 -3.0276 -5.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2367 -1.5271 -4.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0933 -3.2122 -5.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9071 -0.7766 -6.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 -2.4718 -7.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -2.8868 -7.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7388 -1.4391 -8.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5983 -1.8154 -4.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7039 -0.5092 -6.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0729 -0.5143 -3.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5231 1.1588 -4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 0.9695 -2.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0118 -1.2336 -2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 2.8092 -4.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5041 2.9140 -5.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 4.2283 -4.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 5.0279 -4.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6595 5.5545 -2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 4.6032 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5636 4.2853 -0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3227 2.7072 -1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 3.1493 -2.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7645 4.5874 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8676 2.6040 -0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 1.6531 -0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1933 3.1200 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6617 4.1008 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 1.0887 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9005 2.0280 1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8034 3.3925 3.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 2.4607 3.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5275 0.3626 3.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0048 1.3048 4.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0278 0.6896 6.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9062 2.4411 5.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7459 0.3356 5.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5301 2.1007 5.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 0.5635 7.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 2.4028 7.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 2.2657 6.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3219 1.6037 8.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 -0.7320 7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -0.0013 5.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 0.2929 7.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4352 0.9861 6.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -1.9988 7.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -0.9721 6.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -0.7442 4.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -1.6292 4.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8622 -3.5950 5.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2764 -2.6357 4.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 -3.4989 3.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 -2.5291 2.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 -4.5472 3.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1962 -5.4641 3.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -4.6019 1.9938 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 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 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 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 1 27 91 1 0 27 92 1 0 28 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 52136 1 0 M END