HMDB0303159 RDKit 3D Irigenin 42 44 0 0 0 0 0 0 0 0999 V2000 -4.7129 -1.5526 1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8902 -0.3500 0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 0.3746 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 -0.0744 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3619 0.6179 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 0.0698 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 -0.4297 1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3232 -0.9345 2.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3442 -1.0105 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5353 -1.5565 1.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6085 -1.6325 0.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 -2.1795 1.3344 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4635 -1.1607 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5753 -1.2580 -1.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 -0.1430 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2715 -0.6155 -0.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 -0.1431 -2.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -0.5217 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 0.0184 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8649 0.4417 -1.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 1.8075 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 2.2667 -0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 3.4543 -1.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8871 1.5623 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 2.0164 -0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 1.6073 -1.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0798 -2.2186 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 -1.3258 2.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6427 -2.0330 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4422 -1.0171 1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6038 -0.4301 2.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -1.9244 2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9063 -2.5259 2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7703 0.1257 -2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3821 -0.4490 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 0.7247 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -0.2083 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 2.3582 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8683 3.7946 -1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8554 1.8065 -1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5569 0.5190 -2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2507 2.1286 -2.7096 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 5 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 1 0 11 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 5 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 1 0 24 3 1 0 19 6 1 0 18 9 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 7 31 1 0 10 32 1 0 12 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 21 38 1 0 23 39 1 0 26 40 1 0 26 41 1 0 26 42 1 0 M END