HMDB0002338 RDKit 3D Biochanin A 33 35 0 0 0 0 0 0 0 0999 V2000 6.0993 0.4712 -0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -0.1155 0.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0056 -0.0236 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 0.6353 -0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8732 0.7046 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2412 0.1180 0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 0.1810 0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8311 0.4779 1.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1164 0.5367 2.0619 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 0.3003 1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2899 0.3656 1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1341 0.1244 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5246 0.1851 0.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5842 -0.1801 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2221 -0.2449 -1.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6313 -0.5536 -2.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 -0.0041 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -0.0738 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5021 -0.3513 -1.4938 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 -0.5317 1.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3668 -0.6055 1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 -0.1607 -1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6954 1.5017 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1841 0.5139 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 1.0868 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 1.2334 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1558 0.6694 2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7171 0.6062 2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0873 -0.0006 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 -0.3757 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1817 -0.7416 -3.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5776 -1.0199 2.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -1.1147 2.1208 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 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 21 2 0 21 3 1 0 18 7 1 0 17 10 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 8 27 1 0 11 28 1 0 13 29 1 0 14 30 1 0 16 31 1 0 20 32 1 0 21 33 1 0 M END