HMDB0250955 RDKit 3D Dehydroglyasperin D 51 53 0 0 0 0 0 0 0 0999 V2000 -3.4272 -2.8393 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2411 -1.5316 1.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -1.0563 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8934 -1.8935 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3634 -1.4737 0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5316 -0.1837 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5462 0.6666 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3393 1.9656 -0.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 2.2109 -1.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 0.2302 0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9286 1.1868 0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8396 0.9594 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1408 0.7574 -0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9633 0.5341 -1.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8475 0.7551 0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8779 0.2252 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9241 -0.5629 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 -0.1924 -0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 -1.1376 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -0.8844 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9445 0.3539 -1.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2729 0.5617 -1.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 1.3066 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6534 1.0434 -0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7615 2.0724 -1.0572 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7485 -1.9742 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4641 -2.3055 0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5124 -3.0635 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9977 -3.0254 3.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9395 -3.5691 1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.9021 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5174 2.6456 -1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 2.8708 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 1.2604 -2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 1.1532 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5143 2.2200 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 0.9582 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4759 -0.4463 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3439 0.6063 -2.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7244 1.3572 -1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9076 0.4017 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9392 1.8138 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 0.1084 1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9576 1.2338 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0697 -2.1238 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3454 -1.6637 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9349 0.8855 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2567 2.2908 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0511 2.9672 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1143 -2.5983 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4318 -2.1745 1.2561 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 1 0 8 9 1 0 7 10 2 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 6 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 17 26 1 0 26 27 1 0 10 3 1 0 24 18 1 0 27 5 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 9 32 1 0 9 33 1 0 9 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 19 45 1 0 20 46 1 0 22 47 1 0 23 48 1 0 25 49 1 0 26 50 1 0 26 51 1 0 M END