HMDB0029494 RDKit 3D Formononetin 7-(6''-methylmalonylglucoside) 64 67 0 0 0 0 0 0 0 0999 V2000 -9.5388 0.4172 1.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2032 0.6739 2.1271 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4556 1.6576 1.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9507 2.3395 0.5874 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0669 1.8993 1.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1195 1.8089 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9049 1.9742 0.9934 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 1.5482 -0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9322 1.4074 -1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 0.2068 -1.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 0.2654 -0.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1687 -0.7603 -0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 -0.6587 0.1803 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1437 -0.5221 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -0.4764 -1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 -0.3351 -1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 -0.2398 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.1041 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7361 -0.0684 -1.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 -0.0085 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5319 0.1093 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3702 -0.6311 1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7425 -0.5869 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3487 0.2359 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7264 0.2326 0.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4112 1.0167 -0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5025 0.9633 -0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 0.9219 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4738 -0.0577 1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 -0.1883 1.9035 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 -0.2840 0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 -0.4222 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 -2.1223 -0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8903 -2.7800 -1.9402 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2651 -1.8928 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -1.3440 1.0099 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9199 -1.0204 -1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0141 -1.7633 -2.4811 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6626 -0.6741 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6883 0.9826 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2032 0.8524 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9859 2.9275 2.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7835 1.1718 2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2854 2.3326 -1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5998 1.4479 -2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 0.0923 -2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 -0.6937 -1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0943 -0.5487 -2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 -0.3064 -2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 -1.2909 1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.1701 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 1.3106 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7606 1.9305 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3155 0.4716 -1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9113 1.6108 -1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4782 1.5113 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 0.0160 2.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 -0.4518 2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 -2.7538 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 -2.9032 -2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7411 -2.9002 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1972 -1.0461 1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9219 -0.6947 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4393 -2.6360 -2.2957 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 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 2 0 20 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 12 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 10 1 0 32 14 1 0 31 17 1 0 28 21 1 0 1 39 1 0 1 40 1 0 1 41 1 0 5 42 1 0 5 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 12 47 1 0 15 48 1 0 16 49 1 0 22 50 1 0 23 51 1 0 26 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 32 58 1 0 33 59 1 0 34 60 1 0 35 61 1 0 36 62 1 0 37 63 1 0 38 64 1 0 M END