HMDB0004482 RDKit 3D 2-Methoxyestrone 3-glucuronide 66 70 0 0 0 0 0 0 0 0999 V2000 0.6974 4.1304 -0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4371 3.0022 -0.5001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8347 1.8427 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 1.8375 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1683 0.7241 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4048 -0.3737 0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9627 -0.3511 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 0.7545 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 0.8697 0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9469 -0.0855 0.4417 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8110 0.4274 1.3897 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 -0.1448 1.4028 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0950 0.7571 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7816 1.8987 0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4015 0.3294 0.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1057 -1.5135 0.7604 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5223 -2.4658 1.5764 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 -1.5281 -0.6447 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6068 -1.6041 -1.5999 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6587 -0.3851 -0.8801 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6406 -0.7571 -1.7809 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0835 -1.5902 1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3954 -1.8676 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0478 -0.7135 0.1722 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6221 0.5993 0.7911 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3897 1.7771 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8607 1.5620 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1582 0.3004 -0.4716 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6638 0.3125 -1.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5688 -0.1062 -0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5311 0.6177 -0.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5489 -1.6070 -0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1468 -2.0318 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5257 -0.8338 0.3208 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3292 4.8482 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2454 4.6520 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 3.8884 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 2.7127 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -1.2084 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5534 -1.0431 0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -0.3153 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1991 0.9165 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 -1.7797 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 -3.3343 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9881 -2.4706 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1848 -1.9970 -2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 0.5316 -1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 0.0727 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 -1.5411 2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4095 -2.4482 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 -2.7000 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 -2.2929 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7093 -0.6880 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 0.5038 1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1909 2.6221 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0672 2.1479 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3202 1.5017 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3177 2.4652 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 0.7181 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3812 0.9526 -2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 -0.7122 -2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6876 -1.8365 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3186 -2.0770 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1837 -2.8364 0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 -2.3819 -1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7855 -0.6544 1.3787 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 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 6 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 6 28 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 8 3 1 0 20 10 1 0 34 24 1 0 25 5 1 0 34 28 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 7 39 1 0 10 40 1 1 12 41 1 1 15 42 1 0 16 43 1 6 17 44 1 0 18 45 1 1 19 46 1 0 20 47 1 6 21 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 24 53 1 6 25 54 1 1 26 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 29 59 1 0 29 60 1 0 29 61 1 0 32 62 1 0 32 63 1 0 33 64 1 0 33 65 1 0 34 66 1 1 M END