HMDB0041037 RDKit 3D 8-Deoxy-11-hydroxy-13-chlorogrosheimin 39 41 0 0 0 0 0 0 0 0999 V2000 1.9496 -2.9328 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 -1.9370 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 -2.3021 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3884 -1.5540 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3943 -0.1742 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 0.6997 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 1.9954 0.1707 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3035 1.9549 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1406 2.8935 -0.2166 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 0.5289 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2437 0.5314 -1.7216 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7323 0.1276 0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 0.3089 2.2162 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9416 0.5025 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8303 1.6795 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7803 2.7369 -0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1794 1.0599 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 1.6746 0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0345 -0.4282 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 -0.6354 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9158 -2.7911 0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -3.9562 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 -1.9775 -1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 -3.3854 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1435 -1.5966 1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2962 -2.1423 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 -0.1880 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5697 0.5286 1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3346 -0.3729 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 0.7589 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 -0.9209 0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8721 0.2500 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5316 2.1134 1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 3.0761 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3229 3.6265 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 2.4117 -1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6491 -0.6820 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4271 -0.8915 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -0.5908 1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 6 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 2 1 0 10 5 1 0 20 14 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 19 37 1 0 19 38 1 0 20 39 1 0 M END