HMDB0240495 RDKit 3D Daidzein 7-glucuronide-4'-sulfate 53 56 0 0 0 0 0 0 0 0999 V2000 -6.3224 -1.6861 -2.7228 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7277 -1.6338 -1.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8957 -2.3187 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -0.9010 -0.4502 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9048 -0.2555 -0.8597 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1041 0.0627 0.2413 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9944 0.7386 -0.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6718 0.4337 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2467 -0.7096 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 -0.9879 0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 -0.1697 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4097 -0.4988 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7992 -1.5458 0.6011 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 0.3540 -0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7742 0.0861 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5509 0.2480 -1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9110 0.0002 -1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4520 -0.4152 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8283 -0.6603 -0.4422 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9377 0.5658 -0.0824 S 0 0 0 0 0 6 0 0 0 0 0 0 11.1345 -0.0424 0.5845 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3479 1.2059 -1.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2712 1.7600 0.8678 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 -0.5818 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3662 -0.3289 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8345 1.4899 -1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 1.7624 -1.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 0.9779 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 1.2557 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8192 1.0069 1.1881 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1585 0.8749 2.4313 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2504 0.6570 1.4056 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8952 1.7854 1.9252 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9567 0.1613 0.1751 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1951 -0.3355 0.5024 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9188 -3.1174 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -1.5758 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7959 -0.8578 0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 -1.4158 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4339 -1.8848 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 0.5729 -2.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5305 0.1255 -2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8544 1.4060 1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2103 -0.9082 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 -0.4719 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 2.1562 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 2.1606 -1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7013 2.0554 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6933 0.0011 2.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3521 -0.1370 2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4855 2.2125 1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9983 1.0119 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9219 -0.0464 -0.1012 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 19 20 1 0 20 21 2 0 20 22 2 0 20 23 1 0 18 24 1 0 24 25 2 0 14 26 2 0 26 27 1 0 27 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 28 11 1 0 25 15 1 0 3 36 1 0 4 37 1 1 6 38 1 1 9 39 1 0 10 40 1 0 16 41 1 0 17 42 1 0 23 43 1 0 24 44 1 0 25 45 1 0 26 46 1 0 29 47 1 0 30 48 1 6 31 49 1 0 32 50 1 1 33 51 1 0 34 52 1 6 35 53 1 0 M END