HMDB0030610 RDKit 3D Desmethylxanthohumol 45 46 0 0 0 0 0 0 0 0999 V2000 -6.5301 -0.2123 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 0.9482 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2113 2.2967 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4568 0.8648 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 -0.3843 1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 -0.4845 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4959 -0.8778 -0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7028 -1.1575 -1.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -0.9823 -1.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 -0.7045 -1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9992 -0.8410 -1.8766 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 -0.3154 0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2271 -0.0107 0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 0.3378 2.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 -0.0704 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6084 0.2369 1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 0.2050 0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1944 -0.1449 -0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5148 -0.1574 -1.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5421 0.1876 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8741 0.1905 -0.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2907 0.5442 0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 0.5506 1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 -0.2178 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1162 0.1756 2.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6072 0.0578 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3738 -1.0769 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3433 -0.5541 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4122 3.0351 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 2.7181 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8573 2.2270 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8693 1.7797 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3897 -1.2871 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 -0.3694 2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7305 -1.4392 -2.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -1.2930 -2.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9148 -1.1237 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7316 -0.3434 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4505 0.5233 2.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4663 -0.4289 -1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7735 -0.4271 -2.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1784 -0.0499 -1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1094 0.8088 1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7947 0.8330 2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8807 0.2912 2.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 12 24 2 0 24 25 1 0 24 6 1 0 23 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 8 35 1 0 9 36 1 0 11 37 1 0 15 38 1 0 16 39 1 0 18 40 1 0 19 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 25 45 1 0 M END