HMDB0029868 RDKit 3D Mangostanol 57 60 0 0 0 0 0 0 0 0999 V2000 6.1105 -1.3884 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9846 -1.9705 -1.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7073 -2.0370 -0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3046 -3.0560 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 -4.0320 0.5185 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -3.1158 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -2.1316 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.1768 0.8332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9949 -1.2716 0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 -1.3997 1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -0.4398 0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 0.6163 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 0.7508 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2945 1.7983 -1.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 -0.2086 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 -0.1612 -0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 0.7880 -1.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5434 -1.1077 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 -1.0087 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2499 0.0406 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 1.2162 -1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1823 1.5620 -0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 0.9130 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9704 2.8772 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 1.6679 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 1.6516 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1507 2.3590 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5641 0.2418 0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1218 -0.3991 -0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6751 0.2869 1.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5042 -0.5327 1.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0009 -1.9246 -1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2564 -0.3399 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -1.5837 0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -4.7750 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 -3.8992 1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -2.2264 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9164 2.5362 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0935 -0.4845 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 0.2442 -2.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 1.9422 -2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 1.5580 1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 0.7802 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 -0.0643 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9246 2.6429 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3444 3.4509 0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1249 3.3668 -0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 1.5761 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 2.6900 -0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 2.1359 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7227 2.7268 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0352 -1.4919 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5374 -0.0266 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1839 -0.0561 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3349 0.7442 2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -0.7707 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5221 0.9160 1.4099 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 22 24 1 0 12 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 19 3 1 0 18 7 1 0 15 9 1 0 31 11 1 0 1 32 1 0 1 33 1 0 1 34 1 0 5 35 1 0 6 36 1 0 10 37 1 0 14 38 1 0 20 39 1 0 20 40 1 0 21 41 1 0 23 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 24 46 1 0 24 47 1 0 25 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 29 52 1 0 29 53 1 0 29 54 1 0 30 55 1 0 30 56 1 0 30 57 1 0 M END