HMDB0035754 RDKit 3D Phytuberin 47 49 0 0 0 0 0 0 0 0999 V2000 4.2024 2.5735 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8175 1.2566 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 0.6126 -0.2555 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5188 0.8316 0.5375 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1154 -0.4156 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 -0.3663 -1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9254 -1.4931 0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -0.5959 0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -1.9120 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2364 -2.2354 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 -1.0095 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0847 -0.5607 1.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -1.0609 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 0.2521 -0.4112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 0.9832 -0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6185 2.2051 0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5766 1.3045 -2.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8483 0.3984 -2.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 -0.5203 -1.8243 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 0.0601 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1865 0.5708 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1743 3.3082 0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 2.4589 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 2.8857 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9433 0.4805 -1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3581 -0.3510 -2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8262 -1.3079 -1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -1.9561 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3115 -2.2316 -0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -1.0502 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -0.6647 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8213 -2.6958 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 -2.0126 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3116 -2.8596 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6446 -2.8759 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1351 -0.6344 2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 0.4213 1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 -1.2877 2.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1848 -1.5254 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4044 -1.6051 -1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 2.6784 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 2.9816 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1545 2.0571 1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0534 2.1410 -2.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 0.4000 -3.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1859 1.3137 0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3371 1.0526 -0.9711 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 5 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 8 1 0 20 11 1 0 20 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 6 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 12 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 16 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 21 46 1 0 21 47 1 0 M END