HMDB0061125 RDKit 3D 4-Hydroxytamoxifen-O-glucuronide 78 81 0 0 0 0 0 0 0 0999 V2000 2.1075 2.2935 -2.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1025 0.8167 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 0.2421 -2.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9579 -0.3296 -0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2211 -0.3713 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 0.8124 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0975 0.7924 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7061 -0.4242 1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9467 -0.4264 1.6816 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5467 0.7988 1.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8719 0.6938 2.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8735 0.0086 1.9182 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -1.4059 1.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0894 0.5932 0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 -1.6095 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.5459 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -0.7665 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 0.2095 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5342 -0.0864 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8017 -1.3521 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0602 -1.6732 1.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1153 -0.7664 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8567 -0.7609 0.1958 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6422 0.3931 0.1415 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6751 0.3208 -0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7486 -0.7334 -1.5954 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5328 1.3642 -1.1129 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1895 0.7451 1.5073 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4616 1.7661 2.0904 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2848 -0.4263 2.4208 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1637 -1.4121 1.9348 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9411 -1.1108 2.5743 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3437 -0.5955 3.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8311 -2.3332 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 -2.0101 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 0.2298 -2.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -0.9473 -3.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 -0.9856 -3.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7449 0.1783 -4.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 1.3522 -4.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8694 1.3481 -3.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8238 2.6519 -3.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2032 2.6024 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5611 2.8735 -2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0142 0.4178 -2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 0.3759 -3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 1.7115 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5784 1.7522 0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8654 1.3183 2.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5889 1.4646 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2388 1.7258 2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7160 0.1931 3.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0181 -1.6584 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5420 -1.9574 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0739 -1.7554 2.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5672 1.5760 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7840 -0.1094 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1361 0.6584 0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -2.5558 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 -2.5177 -0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 1.2181 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2799 0.7033 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7108 0.2785 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9471 1.2218 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3311 2.2721 -0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2333 1.1302 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8969 2.0037 2.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6390 -0.1319 3.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9408 -2.2402 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0534 -2.2135 2.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 -0.7480 3.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0388 -3.3126 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -2.7945 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 -1.8999 -2.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8133 -1.9050 -3.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6858 0.1917 -4.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4482 2.2876 -4.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 2.2971 -3.3346 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 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 8 15 1 0 15 16 2 0 4 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 24 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 20 34 1 0 34 35 2 0 3 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 16 5 1 0 35 17 1 0 41 36 1 0 32 22 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 6 47 1 0 7 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 13 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 16 60 1 0 18 61 1 0 19 62 1 0 22 63 1 0 24 64 1 6 27 65 1 0 28 66 1 6 29 67 1 0 30 68 1 1 31 69 1 0 32 70 1 1 33 71 1 0 34 72 1 0 35 73 1 0 37 74 1 0 38 75 1 0 39 76 1 0 40 77 1 0 41 78 1 0 M END