HMDB0041416 RDKit 3D Hydroxymyricanone 51 53 0 0 0 0 0 0 0 0999 V2000 2.1668 1.3120 -3.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 1.9880 -2.6279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 1.2792 -1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2933 1.0964 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 0.4789 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 -0.2058 0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5986 -0.0045 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -0.5651 0.8046 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6806 0.7818 -0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 0.9823 -1.4357 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5658 2.0844 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -1.1726 2.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2886 -1.4775 2.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -2.2019 1.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6013 -1.6482 1.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5661 -2.4343 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4475 -3.1308 1.1315 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 -2.3805 -0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -3.5127 -1.4363 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0612 -1.1139 -1.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2066 0.1315 -1.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 1.3722 -1.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9977 2.5351 -2.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 2.4859 -1.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 3.6591 -1.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0364 1.2749 -1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 0.1039 -1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 1.6081 -4.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0983 0.2210 -3.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2105 1.6328 -3.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6746 0.4451 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.0182 1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 2.9982 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5032 2.2558 -1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8113 1.8701 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6416 -2.1278 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 -0.7695 2.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2441 -2.1161 3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7668 -0.5480 2.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -2.1423 0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 -3.2718 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6292 -0.6026 1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0086 -1.6649 2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4178 -2.5675 -1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8404 -3.7507 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3903 -1.3641 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9706 -0.8519 -1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8523 1.4504 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 3.4882 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 3.4285 -1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 -0.8411 -1.3339 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 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 6 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 9 3 1 0 27 21 2 0 26 4 1 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 8 32 1 0 11 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 22 48 1 0 23 49 1 0 25 50 1 0 27 51 1 0 M END