HMDB0030234 RDKit 3D Xanthohumol C 46 48 0 0 0 0 0 0 0 0999 V2000 -1.7637 2.5026 3.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 1.9558 2.9167 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 1.3113 1.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5012 1.2241 1.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 0.6107 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0654 0.0492 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6924 0.1219 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 -0.4567 -1.1653 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 0.7415 0.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 0.8213 1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 1.4362 2.2982 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2851 0.3205 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 0.4780 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 0.0052 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9806 0.2233 0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 -0.1971 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0908 -0.8801 -0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2799 -1.3088 -1.5842 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8657 -1.1117 -1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6778 -0.6772 -0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5551 -0.6074 -1.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8731 -0.6552 -2.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8665 -0.0601 -1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6704 1.0266 -1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8327 -1.1358 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3109 0.5490 -0.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3463 3.2218 3.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 1.7195 4.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3805 2.9474 4.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 1.6698 2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 -0.9246 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1773 -0.2004 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 1.0134 1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 0.7569 1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0900 0.0145 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -2.2308 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 -1.6478 -2.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 -0.8970 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9042 -1.0687 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 -1.1433 -2.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3980 0.5859 -2.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 1.6748 -2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1495 1.6274 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3386 -1.6509 -1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2171 -1.8129 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5605 -0.6296 0.0307 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 2 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 9 3 1 0 20 14 1 0 26 5 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 8 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 16 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 24 41 1 0 24 42 1 0 24 43 1 0 25 44 1 0 25 45 1 0 25 46 1 0 M END