HMDB0004483 RDKit 3D Estrone glucuronide 62 66 0 0 0 0 0 0 0 0999 V2000 4.6558 1.3418 -1.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1001 0.2766 -0.5788 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7266 -1.1009 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 -1.2212 -1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -0.7893 0.1113 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0797 -0.6963 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 -1.0404 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 -0.9110 -1.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 -0.4346 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0893 -0.3188 -0.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0108 0.1282 0.6970 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9045 -0.8524 1.0999 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9225 -1.1306 0.2426 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5228 -2.0307 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3602 -2.4899 -1.0199 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 -2.4060 -1.8406 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7010 0.0692 -0.2441 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4678 0.5572 0.8162 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7903 1.1454 -0.7539 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2883 0.8759 -2.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7046 1.3987 0.2575 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2207 2.0702 1.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -0.0939 0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3397 -0.2249 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 0.1380 2.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 0.9582 1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0022 0.5875 0.5953 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4705 0.4805 0.8066 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1641 1.6980 1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 1.5698 0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5171 0.4831 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4518 -0.0969 -0.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6186 2.3185 -1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4401 1.4041 -2.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6862 1.1620 -2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1685 -1.2749 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 -1.8304 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 -0.7230 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0122 -2.3115 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 -1.4918 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9588 -1.4092 -2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5154 -1.1795 -2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 0.4093 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6724 -1.7399 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5423 -1.7821 -2.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3531 -0.2704 -1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4043 0.2562 0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3874 2.0775 -0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0167 1.0485 -2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9367 2.0391 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0561 2.5343 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5105 0.2884 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 -0.8435 2.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.6583 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 2.0320 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 0.9396 2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 1.3538 -0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.4369 1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6713 2.6177 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 1.6187 2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7746 2.5167 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3252 1.4023 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 28 2 1 0 31 2 1 0 27 5 1 0 24 6 1 0 21 11 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 1 7 41 1 0 8 42 1 0 11 43 1 1 13 44 1 1 16 45 1 0 17 46 1 6 18 47 1 0 19 48 1 6 20 49 1 0 21 50 1 6 22 51 1 0 23 52 1 0 25 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 27 57 1 6 28 58 1 1 29 59 1 0 29 60 1 0 30 61 1 0 30 62 1 0 M END