HMDB0000344 RDKit 3D 2-Methoxyestradiol-3-methylether 51 54 0 0 0 0 0 0 0 0999 V2000 4.2829 -4.3377 -1.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 -3.1732 -2.0212 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 -2.2692 -1.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 -2.4561 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4931 -1.5472 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 -0.4124 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.2184 -1.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7637 -1.1324 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 -0.9450 -3.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 0.2263 -4.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 0.5953 -0.0858 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7516 0.9965 -1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6497 2.0839 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3755 1.6291 0.5759 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2972 0.4717 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1181 2.7076 1.3043 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3338 2.9262 0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 2.1202 2.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 1.1042 2.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 1.2832 1.6243 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5691 0.1058 1.1236 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4087 -0.4908 2.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8387 -1.8281 1.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 -4.8061 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 -5.0607 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4826 -4.0654 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 -3.3391 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 0.6460 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3947 1.1438 -3.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 0.3145 -4.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 0.2817 -5.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 1.5230 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2185 1.3649 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2916 0.0921 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 2.9568 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 2.3713 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 0.8391 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2268 -0.3171 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1782 0.0827 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 3.6126 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0969 2.5974 1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 1.6799 2.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 2.9485 3.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 0.0902 3.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4827 1.3775 3.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 2.1505 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 -0.7132 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3172 0.1687 2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 -0.5962 3.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5503 -2.3012 2.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -2.4816 1.3436 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 9 10 1 0 6 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 6 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 8 3 1 0 21 11 1 0 23 5 1 0 20 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 7 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 1 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 1 17 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 20 46 1 1 21 47 1 6 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 M END