HMDB0038741 RDKit 3D Genistein 7-O-(2-p-coumaroylglucoside) 68 72 0 0 0 0 0 0 0 0999 V2000 -3.4953 -2.5968 -0.4251 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9167 -1.4381 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2513 -1.1106 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1134 -2.0279 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4551 -1.7762 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2656 -2.8340 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5454 -2.6489 1.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0770 -1.3850 2.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3730 -1.1910 2.5409 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2778 -0.3226 1.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9947 -0.5172 1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1071 -0.3795 -0.6893 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8099 -0.4960 -1.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9116 0.3833 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2748 0.6957 -0.8858 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 0.4069 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 -0.2784 0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 -0.5393 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -1.2279 2.2904 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 -0.1314 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4293 -0.3623 0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6364 -0.9888 1.7688 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4653 0.0769 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -0.1809 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2285 -1.4201 0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5374 -1.6487 1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4691 -0.6142 0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7779 -0.8242 1.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0493 0.6126 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.8593 0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1255 0.7567 -1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8765 0.9746 -1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8764 0.5597 -0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 0.8308 -1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 1.4795 0.0296 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2753 2.1258 -1.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 3.6176 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5551 4.0723 0.3281 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 1.7054 -2.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 2.3033 -2.7722 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 0.2015 -2.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 -0.2036 -3.2927 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5829 -0.0838 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7646 -3.0540 0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8369 -3.8392 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1619 -3.4889 2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7648 -0.2880 2.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7071 0.6853 1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4246 0.3529 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.5094 -1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -0.1654 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -0.6411 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5488 -1.5547 2.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5259 -2.2536 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8788 -2.6090 1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1852 -0.6906 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7842 1.4062 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4940 1.8427 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9618 1.0939 -1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3736 1.3691 -2.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4013 2.0398 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 3.7223 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3357 4.1893 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1235 3.5540 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5867 2.0841 -3.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 2.9370 -3.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 -0.1665 -3.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 0.5494 -3.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 23 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 14 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 36 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 11 5 1 0 41 13 1 0 34 16 1 0 33 20 1 0 30 24 1 0 3 43 1 0 4 44 1 0 6 45 1 0 7 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 13 50 1 0 14 51 1 0 17 52 1 0 19 53 1 0 25 54 1 0 26 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 31 59 1 0 34 60 1 0 36 61 1 0 37 62 1 0 37 63 1 0 38 64 1 0 39 65 1 0 40 66 1 0 41 67 1 0 42 68 1 0 M END