HMDB0301859 RDKit 3D Oryzalexin A 52 54 0 0 0 0 0 0 0 0999 V2000 5.4854 0.9122 -0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6386 0.1294 -1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5141 -0.4793 -0.4551 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0972 -1.2474 0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 0.6373 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3814 0.6893 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 1.8888 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3769 2.8303 0.9792 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 2.0041 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4522 0.8652 -0.1820 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9081 0.8549 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 0.5522 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 2.2247 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5432 -0.1778 -0.7529 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9075 -0.1842 -0.5166 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9858 -1.5389 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -1.6301 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7645 -0.4572 0.0637 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4228 -0.5632 1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5726 -0.3616 -0.6921 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3186 -1.6535 -0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 -1.3647 -1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 1.3715 -1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 1.1335 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -0.0700 -2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 -1.5772 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5093 -2.1646 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1734 -0.6210 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.4574 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 2.1920 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9827 2.9460 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 1.0349 -1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9895 -0.4552 1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3703 0.6220 1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 1.3588 2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5407 2.1196 -0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 2.7372 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3913 2.8306 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3914 0.1458 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4029 -0.7637 -1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4748 -1.9223 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3687 -2.2032 -1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2578 -2.5047 0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1186 -1.9451 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7287 0.3151 2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.6609 1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 -1.5147 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3672 -0.1482 -1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 -2.0085 0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -2.4719 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 -2.3268 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5084 -0.8367 -2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 3 2 1 6 3 4 1 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 1 18 20 1 0 20 21 1 0 21 22 1 0 22 3 1 0 20 6 1 0 18 10 1 0 1 23 1 0 1 24 1 0 2 25 1 0 4 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 9 30 1 0 9 31 1 0 10 32 1 6 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 14 39 1 6 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 19 45 1 0 19 46 1 0 19 47 1 0 20 48 1 6 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 M END