HMDB0038740 RDKit 3D Genistein 5-glucoside 51 54 0 0 0 0 0 0 0 0999 V2000 1.3321 0.2455 0.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 -0.4715 1.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6563 -0.5429 2.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8348 0.2111 1.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 1.5387 1.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6925 2.3524 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9988 1.8232 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9845 2.5971 0.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1842 0.4624 1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1023 -0.2900 1.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6658 -1.3919 3.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6482 -2.0849 3.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 -2.0394 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -2.7966 3.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7711 -2.7218 2.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 -3.4746 3.1983 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 -1.9129 1.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8368 -1.1797 1.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9145 -0.3680 0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9834 -0.1161 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 -0.4666 -2.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 0.0688 -3.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 -0.8704 -4.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3005 -0.2313 -5.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6926 0.5014 -2.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5195 0.8061 -3.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5911 1.6266 -1.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5012 2.8296 -2.1997 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3779 1.3481 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 2.1864 -1.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 -1.2292 1.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6638 1.9761 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 3.4014 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6728 3.1167 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1955 0.0752 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2613 -1.3343 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5877 -1.4771 3.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -3.4180 4.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0446 -4.4180 2.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -1.9085 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8629 -0.6933 -0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 0.9745 -3.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 -1.0742 -4.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0013 -1.8116 -3.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 0.6201 -5.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1599 -0.3651 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0845 1.5838 -3.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5024 1.5786 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0762 3.4832 -1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6018 1.6443 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 1.6366 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 3 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 18 31 2 0 31 2 1 0 10 4 1 0 31 13 1 0 29 20 1 0 5 32 1 0 6 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 14 38 1 0 16 39 1 0 17 40 1 0 20 41 1 0 22 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 27 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 M END