HMDB0033853 RDKit 3D Rutacridone epoxide 41 45 0 0 0 0 0 0 0 0999 V2000 -0.5114 1.2598 1.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 0.4337 0.6390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6684 0.4225 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 1.1022 1.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7038 1.0527 1.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4576 0.3586 0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7777 -0.3044 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 -0.2817 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8196 -0.9856 -1.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4949 -1.6241 -2.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -0.9945 -1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8664 -1.7268 -2.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4881 -2.4536 -3.2637 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -1.7167 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 -1.0289 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.2892 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 -0.2679 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7247 0.2096 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8597 0.4029 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1768 0.3632 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5223 1.4330 1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 -0.8539 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 0.1316 -0.8296 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.8807 -1.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 0.8332 2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 2.0350 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 1.9995 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7873 1.6514 2.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 1.5923 2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5306 0.3319 0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3935 -0.8621 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 -2.6211 -3.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0267 -2.2811 -3.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1515 -0.7950 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 0.8334 1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 1.2361 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 1.9504 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 0.9682 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 2.1939 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 -1.7899 -0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7057 -1.0376 0.8616 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 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 19 24 1 0 17 2 1 0 23 20 1 0 8 3 1 0 17 11 1 0 24 15 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 13 32 1 0 14 33 1 0 18 34 1 0 18 35 1 0 19 36 1 0 21 37 1 0 21 38 1 0 21 39 1 0 22 40 1 0 22 41 1 0 M END