HMDB0251430 RDKit 3D Dioncophylline A 55 58 0 0 0 0 0 0 0 0999 V2000 -6.2932 -1.7434 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4144 -0.8845 -0.7736 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0523 -0.9853 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 -1.9099 -1.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 -2.0011 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2794 -1.1704 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 -0.2401 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 0.6131 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 0.5251 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.3074 -1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 1.2879 -1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 0.4839 -0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 -0.2927 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3179 -0.2823 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7965 -1.0478 1.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 -1.1682 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 -2.6096 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9564 -1.0391 0.8429 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4283 0.1341 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4637 1.3441 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6256 0.4777 -1.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4053 1.5512 0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 2.4275 1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 1.6554 1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6493 0.8041 0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0175 0.8563 0.7343 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 1.7776 1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 -0.1345 -0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0175 -1.6873 -2.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1562 -2.8078 -1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3544 -1.4701 -1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1947 -2.5958 -2.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 -2.7483 -2.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -1.2225 -1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 1.9528 -1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7635 1.8959 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3634 -1.6565 2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 -0.9906 2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 -2.6527 0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -3.1912 1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 -3.0694 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 -1.9139 0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4663 -0.0443 -0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4407 1.2894 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6096 1.3815 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 2.2390 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 -0.2706 -1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8937 1.4836 -1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3764 2.7845 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 3.2707 2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 1.8282 2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 2.3861 1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6857 2.0034 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1229 2.7665 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6327 1.3030 2.6236 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 8 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 2 0 28 3 1 0 28 7 1 0 14 9 1 0 21 12 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 10 35 1 0 11 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 27 53 1 0 27 54 1 0 27 55 1 0 M END