HMDB0034867 RDKit 3D Xanthohumol B 49 51 0 0 0 0 0 0 0 0999 V2000 0.6129 -0.0478 -2.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 -0.0837 -1.6077 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1693 -0.2176 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 -0.3204 -1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 -0.4569 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 -0.4962 1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 -0.3949 1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 -0.4386 2.8768 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 -0.2524 0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 -0.1591 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 -0.2245 2.6528 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 -0.0162 0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4166 0.0968 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8938 0.2372 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4886 0.3449 -1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8551 0.4806 -1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6685 0.5122 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0598 0.6498 -0.5165 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 0.4052 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6843 0.2667 1.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -0.6413 1.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7678 0.1317 1.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8952 -0.2622 2.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9698 -0.0561 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1437 -0.9893 -0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 1.2879 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8529 -0.5613 -0.8161 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1465 -1.0056 -3.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 0.7846 -3.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 0.0996 -3.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6303 -0.2903 -2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6401 -0.5383 3.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3817 0.0116 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 0.0901 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8863 0.3254 -2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2545 0.5594 -2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 0.6762 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6798 0.4262 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.1867 1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -1.7200 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4758 -0.3803 2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5754 1.2012 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6079 -0.4943 2.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 -1.5917 0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 -1.6720 -1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0415 -0.4012 -0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2458 1.2467 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4672 2.0474 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4902 1.6444 -1.4340 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 7 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 6 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 9 3 1 0 20 14 1 0 27 5 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 8 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 16 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 25 44 1 0 25 45 1 0 25 46 1 0 26 47 1 0 26 48 1 0 26 49 1 0 M END