HMDB0030934 RDKit 3D Triglochinin 42 42 0 0 0 0 0 0 0 0999 V2000 1.1909 3.1968 -0.3717 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1556 2.0345 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 0.6091 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -0.1419 -0.6943 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 0.2660 -0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1513 -0.7984 -0.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4884 -0.5928 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1013 -1.9600 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4722 -1.8505 0.0406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 0.3159 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 1.6098 0.1645 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 0.2652 1.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0635 1.1387 2.6997 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4121 0.6757 1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3664 2.0771 1.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 -0.0559 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 0.6423 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7248 0.0858 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9555 0.8430 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9797 2.0961 0.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1593 0.1728 0.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -1.5378 -0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -1.9105 -1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 -1.0922 -2.5369 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -3.2716 -1.9504 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5087 1.1523 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0386 -0.2206 -1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 -2.3012 0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9053 -2.6657 -1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9507 -2.6307 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7323 -0.0279 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 1.7147 -0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6143 -0.7607 2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 1.4076 3.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5623 0.2319 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 2.3925 1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5209 1.7413 -0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 -0.9932 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 -0.8439 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 -1.9042 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2918 -1.9761 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7964 -3.7288 -2.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 3 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 16 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 14 5 1 0 5 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 21 39 1 0 22 40 1 0 22 41 1 0 25 42 1 0 M END