HMDB0035499 RDKit 3D Isoxanthohumol B 49 51 0 0 0 0 0 0 0 0999 V2000 -1.3933 -4.7190 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5545 -3.6082 -0.3535 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 -2.2990 -0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 -2.0029 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8034 -0.7056 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9082 0.3362 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 0.0624 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3121 1.1513 -0.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0688 -1.2343 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 -1.5908 -0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6284 -2.8398 -0.2134 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4018 -0.6330 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 -1.0550 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 -0.1219 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6216 1.2230 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 2.0833 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9701 1.5293 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 2.3165 0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 0.1565 0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -0.6354 0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3508 1.7601 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1012 2.2389 1.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7931 1.8392 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6475 0.7875 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0816 1.0259 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5543 0.8620 1.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -0.4687 -0.4029 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0018 -4.5988 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 -4.8864 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7325 -5.6107 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0196 -2.8457 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 2.0975 -0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 0.4164 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8343 -2.1188 -0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 1.7115 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5864 3.1634 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0767 3.3135 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 -0.2636 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1925 -1.7151 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 2.3762 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7947 3.1721 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8373 1.5842 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2488 2.8160 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7829 0.2997 0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3401 2.0766 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0679 0.9317 -1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7469 0.1645 1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5459 0.5900 2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 1.8676 1.9552 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 21 23 1 0 23 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 22 41 1 0 23 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