HMDB0242171 RDKit 3D Daidzein sulfate 32 35 0 0 0 0 0 0 0 0999 V2000 0.4933 1.0173 0.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 -0.1909 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -1.0207 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 -0.5364 -1.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 -1.3540 -2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 -0.8772 -2.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 0.4216 -3.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 0.9272 -4.2252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3232 1.2457 -3.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2742 0.7672 -2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 -2.3111 -0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 -2.6268 0.5085 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 -2.0608 1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 -2.8966 2.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 -2.7979 3.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 -3.6022 4.3679 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3218 -2.0151 2.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9825 -1.2207 1.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 -0.9758 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 -1.0786 0.6335 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 -2.0560 -0.7142 S 0 0 0 0 0 6 0 0 0 0 0 0 2.6791 -1.1956 -1.8794 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 -3.0589 -0.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 -2.8738 -0.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4606 -2.3760 -1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2852 -1.5318 -3.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 0.2430 -4.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 2.2587 -3.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4339 1.4321 -2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6082 -3.7053 2.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8904 -4.0678 4.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -2.1471 3.0449 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 2 0 18 20 1 0 20 21 1 0 21 22 2 0 21 23 2 0 21 24 1 0 19 2 1 0 10 4 1 0 24 11 1 0 19 13 1 0 5 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 14 30 1 0 16 31 1 0 17 32 1 0 M END