HMDB0000306 RDKit 3D Tyramine 21 21 0 0 0 0 0 0 0 0999 V2000 3.5632 0.7281 0.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1206 0.7710 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5246 -0.2938 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 -0.3037 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 -1.0573 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0422 -1.0523 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7746 -0.2739 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1569 -0.2606 -0.0632 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0848 0.4803 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 0.4720 -1.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8649 0.6612 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 -0.1155 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 1.7670 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 0.6173 1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9692 -1.2758 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8646 -0.1152 -1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 -1.6570 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 -1.6462 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6799 0.3961 0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 1.0933 -1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 1.0649 -1.8307 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 4 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 5 17 1 0 6 18 1 0 8 19 1 0 9 20 1 0 10 21 1 0 M END