HMDB0034264 RDKit 3D Glyceollin IV 48 51 0 0 0 0 0 0 0 0999 V2000 -3.3442 -1.0124 -3.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 -1.3216 -2.2689 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 -0.8234 -1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0051 0.0447 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 0.5159 -1.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3648 0.1562 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 -0.7137 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 -1.2065 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5697 -2.1487 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -1.5292 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1736 -1.5253 2.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4479 -0.9047 2.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2904 -2.1358 3.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5447 0.6706 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6155 -0.2365 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8295 0.3872 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1556 -0.0753 0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2364 0.7426 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5242 0.2173 0.1917 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9745 2.0619 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6727 2.5145 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5767 1.6968 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 1.9324 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7859 2.9609 0.8802 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 2.3797 -1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9941 1.3984 -2.1468 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3793 -1.4077 -3.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6752 -1.4257 -4.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 0.0844 -3.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2106 0.3320 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 -1.0307 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8325 -2.9122 -0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0411 -2.6541 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4968 -1.0788 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2711 -1.6364 2.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3641 -0.6566 3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6761 0.0213 1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 -3.2141 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -2.0198 4.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2969 -1.6069 3.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 0.7781 1.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 -1.1103 0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0837 0.1963 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8271 2.6923 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 3.5348 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8113 3.0808 0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5242 2.7482 -2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 3.2390 -1.3073 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 10 11 2 3 11 12 1 0 11 13 1 0 6 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 8 3 1 0 23 14 1 0 26 5 1 0 22 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 7 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 17 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 24 46 1 0 25 47 1 0 25 48 1 0 M END