HMDB0041718 RDKit 3D Daidzein 7-O-glucuronide 49 52 0 0 0 0 0 0 0 0999 V2000 -5.3757 -2.7434 -0.4863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -2.0481 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 -2.5055 0.5989 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1224 -0.7657 0.8774 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1654 -0.1971 1.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3357 0.6985 1.0262 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6488 0.1202 -0.0407 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2902 -0.0202 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 -0.6347 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.8166 -1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4604 -0.3935 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -0.5872 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 -1.1512 -2.0099 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 -0.1513 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1536 -0.3287 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -0.0445 -1.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 -0.2098 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9142 -0.6697 -0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2789 -0.8468 -0.8524 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3414 -0.9567 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 -0.7881 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2234 0.4573 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 0.6168 1.3257 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 0.2227 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 0.3929 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1012 1.9416 0.5898 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2232 2.7677 1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4792 1.5877 0.0848 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8190 2.3103 -1.0583 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5523 0.1295 -0.2551 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8771 -0.1855 -0.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8441 -2.9144 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0167 -0.9586 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 1.0507 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5097 -0.9898 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8976 -1.3001 -2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 0.3179 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5526 0.0116 -2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -0.0973 -0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 -1.3151 1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 -1.0230 1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 0.7927 1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 0.8782 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5084 2.4532 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3556 2.9312 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2322 1.8483 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9975 2.5974 -1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9713 -0.0593 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4737 0.5756 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 14 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 6 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 4 1 0 25 8 1 0 24 11 1 0 21 15 1 0 3 32 1 0 4 33 1 1 6 34 1 1 9 35 1 0 10 36 1 0 16 37 1 0 17 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 25 43 1 0 26 44 1 6 27 45 1 0 28 46 1 1 29 47 1 0 30 48 1 6 31 49 1 0 M END