HMDB0030280 RDKit 3D (-)-Chimonanthine 52 57 0 0 0 0 0 0 0 0999 V2000 -2.6086 -1.0457 2.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4853 -0.1964 2.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 1.1464 1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 1.5952 1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2496 0.4577 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 0.3299 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 1.4012 -1.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7022 2.5257 -0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 1.8874 0.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1788 2.5995 1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 0.6029 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 -0.5562 1.0188 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0946 -1.5864 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5142 -2.9052 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0533 -3.6693 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 -3.1065 -2.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7511 -1.7916 -1.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 -1.0394 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 0.4187 -0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 1.3832 -1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 1.0832 -2.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6871 -0.2051 -2.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 -1.1826 -1.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9633 -0.8715 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 -1.6746 0.3794 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -0.7178 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 -1.1141 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 -0.6541 3.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -2.0442 2.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6095 1.1653 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0362 1.7462 2.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2095 1.6799 2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 2.5629 0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 1.6833 -2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 1.0501 -2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 2.8812 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.3943 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 1.8488 1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 3.3679 0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7975 3.1244 2.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0371 0.5849 -0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6347 -0.7710 2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2037 -3.3514 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 -4.6897 -1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8337 -3.7187 -2.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0668 -1.4155 -2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 2.3976 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6907 1.8715 -2.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5642 -0.4339 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -2.2052 -1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0831 -2.7013 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 -1.1420 1.8292 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 5 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 2 1 0 26 5 1 0 11 6 1 0 18 13 1 0 24 19 1 0 18 6 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 10 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 25 51 1 0 26 52 1 0 M END