HMDB0037341 RDKit 3D Apigenin 7-O-(2''-O-acetylglucoside) 56 59 0 0 0 0 0 0 0 0999 V2000 -6.9216 1.9563 0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5552 1.4357 0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9483 1.7963 1.9072 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9029 0.5588 0.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6033 0.0732 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6943 0.5100 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4102 0.0694 -0.4958 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 0.8222 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 2.1887 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9443 2.9172 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9564 4.3012 -0.1987 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0883 2.2315 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 2.9101 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2944 4.1636 0.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 2.1632 0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3156 0.7927 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4911 0.0023 1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3516 -1.3665 1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 -2.1543 1.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6603 -1.6246 1.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7342 -2.4726 2.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8281 -0.2644 1.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7245 0.5386 1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 0.2298 0.5933 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0553 0.8535 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 0.1397 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0352 -0.0920 -2.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 -1.4705 -1.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3872 -2.1118 -3.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 -3.4905 -3.0976 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -1.9799 -0.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9191 -3.3750 -0.8814 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6802 -1.4269 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3653 -1.8749 0.6518 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4996 1.2754 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4554 2.1142 1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8181 2.9676 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 0.5158 1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 1.6110 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 2.7420 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 4.7706 -0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 2.7308 0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3973 -1.8572 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 -3.2448 1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6023 -3.4670 2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 0.1831 1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8764 1.6135 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 -0.9539 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -1.8214 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5628 -1.9021 -4.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3605 -1.7650 -3.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0406 -3.9490 -3.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 -1.7131 -1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8859 -3.7030 0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3808 -1.7675 1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 -1.3301 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 1 0 10 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 16 24 1 0 24 25 1 0 25 26 2 0 6 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 5 1 0 26 8 1 0 25 12 1 0 23 17 1 0 1 35 1 0 1 36 1 0 1 37 1 0 5 38 1 0 6 39 1 0 9 40 1 0 11 41 1 0 15 42 1 0 18 43 1 0 19 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 26 48 1 0 28 49 1 0 29 50 1 0 29 51 1 0 30 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 M END