HMDB0041777 RDKit 3D Tectorigenin 4'-sulfate 38 40 0 0 0 0 0 0 0 0999 V2000 -5.9644 1.0118 1.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2813 -0.2285 1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3238 -0.4065 0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6338 -0.8865 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9472 -1.2175 -0.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6605 -1.0510 -1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3245 -0.7370 -1.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 -0.9075 -2.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.6185 -1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2894 -0.1291 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 0.2031 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2693 -0.1964 0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 0.0835 1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 0.7977 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 1.0685 0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8458 -0.0602 0.1524 S 0 0 0 0 0 6 0 0 0 0 0 0 6.2848 -1.0917 -0.8066 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9412 0.7101 -0.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4203 -0.8547 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 1.2117 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 0.9175 -1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 0.0475 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3073 0.4868 1.4022 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0035 -0.2535 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -0.0846 1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 0.3866 2.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0618 0.8801 1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6263 1.7017 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7051 1.4547 2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6666 -1.1046 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8731 -1.4297 -2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -0.7556 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6661 -0.7573 1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 -0.2667 2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9726 -1.6270 1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4317 1.7704 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 1.2411 -2.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 0.6916 2.7996 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 14 20 1 0 20 21 2 0 10 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 25 3 1 0 24 7 1 0 21 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 6 31 1 0 9 32 1 0 12 33 1 0 13 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 26 38 1 0 M END