HMDB0034812 RDKit 3D 5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside 74 77 0 0 0 0 0 0 0 0999 V2000 9.6107 -2.3733 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0172 -1.1652 0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6578 -1.0041 0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8827 -2.0005 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 -1.8221 -0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9277 -0.6416 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 -0.4734 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8995 0.6719 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6018 0.7706 -0.4422 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7563 -0.2031 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -0.0226 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1582 1.2213 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 2.3387 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 3.6070 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1511 3.4846 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8859 4.1845 -1.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6922 4.5719 0.6858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 -1.0511 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 -0.8670 -0.0969 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8815 -1.7398 0.1775 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4643 -2.0970 -1.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5541 -1.3734 -1.4115 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3383 0.0904 -1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5535 0.6523 -2.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6632 -1.6774 -0.4266 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8937 -3.0503 -0.4408 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -1.1876 0.9143 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7899 0.1176 1.0502 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8203 -1.2251 1.2247 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6226 -1.9025 2.4521 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9897 -2.2253 0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3956 -2.4448 0.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 -3.6435 1.2315 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 -1.4068 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -1.5101 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 -2.5559 0.9588 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7357 0.3296 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0972 0.1933 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9117 1.1665 1.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4605 2.3987 2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1220 -3.2030 0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4236 -2.5697 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6887 -2.3181 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3288 -2.9401 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 -2.5997 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 1.4962 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 1.0405 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 1.5871 -1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 2.0895 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0716 2.5637 0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 3.5239 -1.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7668 4.3697 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6733 2.6048 -0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 3.5036 -2.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4646 5.0721 -1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0781 4.5732 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 5.0360 0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4553 -2.6851 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9054 -1.7847 -2.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6495 0.2121 -2.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9785 0.6326 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9989 0.1082 -2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5846 -1.1853 -0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6559 -3.3028 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8467 -1.7865 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6674 0.1870 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 -0.1722 1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2693 -2.6123 2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6078 -3.0882 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6697 -4.0046 1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2603 1.2430 1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3205 3.1053 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7031 2.7903 1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 2.3777 3.1250 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 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 11 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 32 1 0 32 33 1 0 32 34 2 0 34 35 1 0 35 36 2 0 6 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 38 3 1 0 35 7 1 0 34 10 1 0 29 20 1 0 1 41 1 0 1 42 1 0 1 43 1 0 4 44 1 0 5 45 1 0 8 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 15 51 1 0 15 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 20 58 1 1 22 59 1 6 23 60 1 0 23 61 1 0 24 62 1 0 25 63 1 6 26 64 1 0 27 65 1 1 28 66 1 0 29 67 1 1 30 68 1 0 31 69 1 0 33 70 1 0 37 71 1 0 40 72 1 0 40 73 1 0 40 74 1 0 M END