HMDB0240494 RDKit 3D Daidzein 4'-glucuronide-7-sulfate 53 56 0 0 0 0 0 0 0 0999 V2000 -6.4083 -1.6367 -2.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 -1.0540 -1.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2633 -1.3345 -1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2190 -0.0702 -0.8155 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9407 0.0688 -1.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 0.7310 -0.4158 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1484 -0.1375 0.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7939 -0.0899 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 -1.0662 0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3083 -1.1160 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 -0.2142 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4844 -0.2987 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0923 -0.1701 -1.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -0.2395 -1.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1844 -0.4323 -0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5578 -0.4930 -0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3974 -0.6923 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7638 -0.7465 0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6737 0.6980 0.0993 S 0 0 0 0 0 6 0 0 0 0 0 0 11.1375 0.3944 0.1575 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2680 1.5025 1.3054 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2944 1.5711 -1.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9008 -0.8348 1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -0.7733 1.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6777 -0.5723 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2938 -0.5017 0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7913 -0.6239 1.9813 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3144 0.7493 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 0.8055 -0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7696 1.4879 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3289 2.6548 0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7676 0.6546 1.4439 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3633 0.3378 2.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1408 -0.5890 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3469 -1.1212 1.0431 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8175 -0.7805 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7717 0.9013 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 1.4781 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5642 -1.7962 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 -1.8850 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.0101 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9621 -0.3831 -1.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5395 2.1783 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5700 -0.9906 2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -0.8807 2.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 1.4820 -1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 1.5779 -1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9907 1.8015 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 2.9605 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7004 1.2542 1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7379 -0.5198 3.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2883 -1.2862 0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1613 -1.9495 1.5905 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 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 2 0 19 22 1 0 17 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 11 28 1 0 28 29 2 0 6 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 4 1 0 29 8 1 0 26 12 1 0 25 15 1 0 3 36 1 0 4 37 1 1 6 38 1 6 9 39 1 0 10 40 1 0 13 41 1 0 16 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 28 46 1 0 29 47 1 0 30 48 1 0 31 49 1 0 32 50 1 1 33 51 1 0 34 52 1 0 35 53 1 0 M END