HMDB0031993 RDKit 3D Glyurallin A 46 49 0 0 0 0 0 0 0 0999 V2000 0.1404 1.0771 2.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3085 0.2738 1.3842 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 0.6971 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 1.1297 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9545 1.1219 0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3912 -0.2850 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5961 -0.7537 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 0.1706 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9133 -2.2149 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0594 1.5359 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3074 1.9721 -1.9853 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0268 1.5242 -2.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 1.1039 -2.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 0.6967 -0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 0.2248 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 -0.2152 0.7029 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 -0.5384 0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 -1.0366 1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7091 -1.2919 1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6523 -1.7925 2.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0973 -1.0390 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1634 -0.5439 -1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -0.3013 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 0.1939 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 0.6211 -2.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 1.0660 -3.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4768 2.0355 2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6922 1.2113 3.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 0.5132 2.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7637 1.8309 0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5126 1.4035 1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 -0.9911 1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6294 1.1226 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6522 -0.3038 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6766 0.3136 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4817 -2.5598 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 -2.7685 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5274 -2.3308 1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0783 1.9988 -1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2195 1.8516 -3.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -1.2431 2.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -1.9684 1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -1.2422 -0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 -0.3427 -2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 -0.2921 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3397 1.3536 -3.0736 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 1 0 6 7 2 3 7 8 1 0 7 9 1 0 4 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 14 3 1 0 24 15 2 0 26 13 1 0 23 17 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 8 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 9 38 1 0 11 39 1 0 12 40 1 0 18 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 25 45 1 0 25 46 1 0 M END