HMDB0010365 RDKit 3D 3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide 71 75 0 0 0 0 0 0 0 0999 V2000 5.1864 -0.9283 -1.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 -0.1808 0.1900 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6642 -0.9741 1.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -1.1965 1.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4473 0.0429 0.7186 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1392 0.9920 -0.1908 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3913 2.3331 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 2.1533 -0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2721 1.0071 0.1170 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9628 0.7155 -0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7768 -0.3245 -0.0444 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9586 0.3092 0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 -0.2807 -0.1153 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8816 -0.6820 0.9695 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8463 -1.5296 0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5814 -2.1625 1.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5033 -2.9709 1.3302 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2252 -1.8401 2.9053 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -0.8258 -0.4583 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0282 -0.7372 0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3504 0.5529 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8854 0.8488 -2.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8775 0.7578 -0.8728 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5804 2.0037 -0.2963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1176 -0.9117 1.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 -1.2568 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0892 -0.2619 0.1346 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1762 -0.8665 -1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 1.1685 0.1658 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4133 1.9076 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8373 1.4354 -0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6540 0.2429 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4156 -0.2863 1.1805 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 -2.0149 -0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -0.6281 -1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2151 -0.9004 -1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7746 -0.4207 2.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 -1.9654 1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7814 -1.5850 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 -2.0326 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 0.5912 1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 0.7438 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8933 3.0378 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 2.7567 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 2.0799 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 3.0823 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 1.2175 1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 1.6961 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 0.3831 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0398 -1.1778 -0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8109 -1.1243 -0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3284 -2.3615 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3382 -0.8850 3.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9493 -1.4615 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0248 0.1349 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8362 1.2892 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1768 0.6615 -2.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 0.7849 -1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4534 1.8430 0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2373 -0.2758 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6633 -1.8678 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3925 -2.2939 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 -1.3368 2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2229 -1.4253 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3985 -0.1220 -2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9611 -1.6462 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 1.6033 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1516 1.7406 -1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 3.0001 -0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4174 2.2263 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 1.0380 -1.3994 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 1 0 7 8 1 0 8 9 1 0 9 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 2 0 16 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 25 1 0 25 26 1 0 26 27 1 0 27 28 1 6 6 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 29 2 1 0 32 2 1 0 27 5 1 0 27 9 1 0 23 13 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 1 6 42 1 6 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 1 10 48 1 0 10 49 1 0 11 50 1 6 13 51 1 6 15 52 1 0 18 53 1 0 19 54 1 6 20 55 1 0 21 56 1 0 22 57 1 0 23 58 1 6 24 59 1 0 25 60 1 0 25 61 1 0 26 62 1 0 26 63 1 0 28 64 1 0 28 65 1 0 28 66 1 0 29 67 1 1 30 68 1 0 30 69 1 0 31 70 1 0 31 71 1 0 M END