HMDB0256861 RDKit 3D Prostratin 58 61 0 0 0 0 0 0 0 0999 V2000 4.6729 2.8634 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9789 1.6451 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 1.0471 1.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 1.1318 -0.2327 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1756 -0.0317 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 -0.0548 1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 0.3827 1.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1927 0.0376 3.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -0.1295 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7277 -0.8058 1.4765 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 -1.1545 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 -1.8411 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 -1.3621 -1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4144 -2.2680 -2.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 -3.5828 -2.6936 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1377 0.0768 -2.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5966 0.4953 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2087 -0.5717 -0.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4971 1.6460 -0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3476 1.9955 -1.5617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1857 2.3302 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 3.3003 1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 1.9603 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 0.9860 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -0.6950 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5516 -1.3405 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7707 -2.5745 0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 -1.1997 -1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 3.1725 -1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 3.6852 0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7572 2.5704 -0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 -1.0572 2.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3242 0.6386 2.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2495 1.4951 1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 0.4901 3.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -1.0514 3.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2033 0.4357 3.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -1.7145 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 -1.9413 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -2.9097 -1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5091 -2.1348 -2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -1.9662 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8117 -4.1494 -2.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 0.1805 -2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 0.7122 -2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1085 -0.3396 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5669 4.2148 1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4373 2.8085 2.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9882 3.4652 0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 2.3417 1.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6717 1.5186 -0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.2248 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0824 -2.8197 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7351 -3.4384 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8002 -2.6259 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -1.0273 -1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3108 -0.4163 -2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6453 -2.1989 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 11 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 25 5 1 0 26 5 1 0 24 9 1 0 24 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 8 37 1 0 10 38 1 0 11 39 1 0 12 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 18 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 24 51 1 0 25 52 1 0 27 53 1 0 27 54 1 0 27 55 1 0 28 56 1 0 28 57 1 0 28 58 1 0 M END