HMDB0000405 RDKit 3D 2-Methoxyestradiol 48 51 0 0 0 0 0 0 0 0999 V2000 -5.0917 2.0585 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1345 0.7296 0.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 -0.0250 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7683 0.4868 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -0.2839 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 -1.5938 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 -2.1082 -0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3036 -1.3327 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5919 -1.8491 0.0707 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8387 -2.4891 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 -1.6152 -1.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 -0.6826 -0.5493 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3821 0.3244 -0.1759 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0602 0.9589 1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 1.6888 0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 0.7554 0.3872 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8642 -0.2646 1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 1.4435 -0.1755 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5295 1.8633 0.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2119 0.3891 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 -0.5683 -1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8865 0.1180 -0.9016 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8118 2.1825 2.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1402 2.4677 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4738 2.7179 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6594 1.5190 0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 -3.1371 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7358 -2.8185 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4296 -2.9762 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 -3.2309 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 -1.0522 -2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 -2.2627 -1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 -1.2716 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3461 1.1273 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 1.6319 1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 0.1174 1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 2.0258 1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2787 2.5551 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 -0.0934 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 -0.2322 2.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8272 -1.3022 1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2552 2.3093 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3153 2.2387 0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 -0.1264 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5383 0.9184 -2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -0.6838 -2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 -1.5788 -1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 0.9509 -1.5608 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 1 16 18 1 0 18 19 1 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 1 13 34 1 6 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 18 42 1 6 19 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 22 48 1 6 M END