HMDB0000010 RDKit 3D 2-Methoxyestrone 46 49 0 0 0 0 0 0 0 0999 V2000 4.2991 2.1419 -2.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 1.0028 -1.6106 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 0.2802 -0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 0.6390 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5325 -0.0606 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 -1.1698 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -1.5266 0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1751 -0.8285 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5157 -1.1931 -0.1999 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9629 -1.9559 1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1447 -1.0158 2.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 -0.4652 0.8196 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1536 0.4144 0.0167 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4523 0.5918 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 1.1291 -1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7298 0.3371 -0.3584 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9256 -1.0605 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9806 0.9766 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6904 1.6665 -0.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2673 0.6426 1.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0593 -0.1961 1.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 0.2965 1.0028 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3386 1.9834 -2.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1175 2.4306 -3.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1152 2.9679 -1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1322 1.5110 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5744 -2.3913 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9254 -1.9723 0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 -2.4843 2.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 -2.6794 0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -0.2330 2.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 -1.6530 2.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9972 -1.3544 0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 1.4303 0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -0.3163 -1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 1.3714 -1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 2.1896 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 1.0462 -2.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9624 -1.8311 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -1.1446 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0863 -1.3151 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2021 0.0847 1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2162 1.5770 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 0.0392 2.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3057 -1.2519 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7735 1.3487 1.2530 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 6 16 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 8 3 1 0 22 12 1 0 13 5 1 0 22 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 6 13 34 1 1 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 22 46 1 1 M END