HMDB0034026 RDKit 3D Glyceollidin I 45 48 0 0 0 0 0 0 0 0999 V2000 -5.4671 0.8869 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3476 0.6440 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8193 1.7941 1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 -0.5671 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7654 -0.8784 1.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 -1.5124 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7474 -2.8289 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8199 -3.6320 0.5088 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7514 -3.4109 -0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3224 -2.6140 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4225 -1.2997 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5746 -0.7204 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4908 0.6235 0.6294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7518 1.3443 0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 0.3555 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8527 -0.6172 1.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 0.8484 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 1.9221 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2054 2.1054 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7872 1.2346 -0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 1.4407 -1.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0306 0.1564 -1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -0.0345 -0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.0524 -1.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5539 -0.4255 -0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0861 -0.0444 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1025 1.0202 -1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0537 1.7718 -0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4684 2.6956 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 2.0760 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8006 1.4965 2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2991 -1.3719 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0791 -1.5473 2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4055 0.0695 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5612 -3.2525 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 -4.4595 -0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -3.0886 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 1.8939 1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 2.0126 -0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2659 -0.3750 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 2.6501 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7946 2.9538 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2771 1.9859 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 -0.5326 -1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3211 0.2834 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 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 6 1 0 25 15 1 0 25 11 1 0 23 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 18 41 1 0 19 42 1 0 21 43 1 0 22 44 1 0 25 45 1 0 M END