HMDB0039379 RDKit 3D Chrysaloin 51 54 0 0 0 0 0 0 0 0999 V2000 1.8794 -4.2545 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2706 -2.8269 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -2.4280 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8656 -1.0634 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1839 -0.7509 -0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 -0.1097 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -0.5210 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.8818 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 0.4955 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 0.0481 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5085 -0.5334 0.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5942 -1.3015 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1636 -1.9882 1.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2012 -2.8049 2.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6638 -0.5464 -0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1992 -1.3128 -1.5258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 0.8072 -0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 1.8026 -0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7674 0.8934 -1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 2.2341 -1.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 1.6744 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2704 2.4074 1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0429 3.6051 1.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 4.1165 1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3467 3.3697 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 3.8953 1.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 2.1415 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1884 1.2606 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 1.6611 0.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6996 -4.4499 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 -4.9433 -0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9027 -4.4055 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 -3.1693 -0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7138 0.0566 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 -2.2521 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6797 0.9290 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7627 -0.8975 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2509 -2.1247 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6223 -1.2836 2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -2.6535 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6831 -2.3419 2.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -0.3781 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3483 -0.7009 -2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 0.9874 -1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0053 1.4540 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.5314 -2.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 2.6280 -2.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2743 1.9975 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 4.1725 2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5551 5.0748 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4862 3.6798 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 9 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 2 0 8 2 1 0 19 10 1 0 27 21 1 0 28 6 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 5 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 26 51 1 0 M END