HMDB0034579 RDKit 3D 8-O-Methyloblongine 50 52 0 0 0 0 0 0 0 0999 V2000 -5.4814 2.4527 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1173 2.2628 0.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3906 1.1688 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 0.1440 -1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 -0.9473 -1.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8061 -0.9655 -1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 0.0436 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0448 1.1151 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 2.1027 0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4551 2.1124 2.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 -0.1081 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9557 0.4808 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 0.4694 -0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 -0.5058 -1.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 -0.4427 -1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2166 0.5978 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5997 0.6388 -0.3864 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4011 1.5803 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 1.5198 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4166 -1.4423 0.5207 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.5166 -1.6575 1.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7198 -1.6916 1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -2.4385 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9762 -2.0897 -1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9144 3.1458 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5325 2.9184 -1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0439 1.4931 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9483 0.2310 -1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5687 -1.7368 -2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 2.9726 2.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 1.1503 2.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 2.3138 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 0.5429 1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6834 1.5836 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 0.0982 -1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 -1.3533 -1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2445 -1.2243 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 0.1837 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8964 2.3844 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 2.3283 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 -2.7256 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 -1.1754 2.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -1.1271 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5862 -2.2376 2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -0.8010 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 -2.4456 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 -3.3649 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 -2.6791 -1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 -2.9860 -1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -1.8896 -2.4429 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 1 0 7 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 16 18 1 0 18 19 2 0 11 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 23 24 1 0 8 3 1 0 19 13 1 0 24 6 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 15 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 21 41 1 0 21 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 M CHG 1 20 1 M END