HMDB0034041 RDKit 3D Glyceollin III 43 47 0 0 0 0 0 0 0 0999 V2000 6.2082 1.4452 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 0.2292 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -0.9894 0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 0.0269 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4086 -0.6424 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 -0.2040 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8302 -0.7447 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2845 -0.1222 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 1.0472 -1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 1.5967 -1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 0.9764 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 1.2884 -0.6593 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 1.7225 -1.8619 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3795 1.5159 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 0.0326 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8626 -0.4587 -2.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 -0.1690 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1861 0.0826 -0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1127 -0.1855 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7398 -0.6912 1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7279 -0.9437 2.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4165 -0.9440 1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -0.6749 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0757 -0.8244 0.8491 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6172 -0.7279 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6348 2.2860 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1856 1.5729 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0576 -1.8936 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3545 -1.0688 1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5284 -0.8013 0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3765 -0.5474 -1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5374 -0.2154 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 -1.7388 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6148 -1.6735 0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3941 2.5170 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1861 1.9743 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3691 1.9565 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 -0.0842 -2.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4753 0.4869 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1532 0.0221 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5149 -1.3136 3.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0876 -1.3453 2.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5677 -1.7756 -0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 9 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 12 4 1 0 25 15 1 0 11 6 1 0 23 17 1 0 25 8 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 7 34 1 0 10 35 1 0 14 36 1 0 14 37 1 0 16 38 1 0 18 39 1 0 19 40 1 0 21 41 1 0 22 42 1 0 25 43 1 0 M END