HMDB0002829 RDKit 3D Androsterone glucuronide 71 75 0 0 0 0 0 0 0 0999 V2000 -5.4985 1.3771 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2894 0.0371 0.8016 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5018 0.0893 2.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1133 0.5771 1.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4109 -0.2793 0.7219 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2802 -0.3676 -0.5392 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5833 -1.3367 -1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3099 -0.5984 -1.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -0.5078 -0.7126 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8986 0.0191 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 0.0410 0.1095 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9453 -0.6576 -0.2298 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 0.0518 -0.2508 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7231 -0.1052 -1.4885 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 0.5807 -1.6516 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5694 0.0573 -2.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0911 -0.8675 -3.5783 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7963 0.5760 -3.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8545 0.5058 -0.5202 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6731 1.6336 -0.5711 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 0.4326 0.8351 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1609 -0.0745 1.7539 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0588 -0.5474 0.7698 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5207 -0.6755 2.0246 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 -0.5457 1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 0.1038 1.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.2744 0.4079 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1556 1.7511 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5827 -0.9445 -0.1371 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5888 -1.1132 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9047 -1.1386 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -0.6202 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3611 -0.7712 1.8441 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0577 2.0044 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 1.8992 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 1.2060 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9653 0.8439 2.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5216 -0.8951 2.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2196 1.6254 1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5356 0.5600 2.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -1.3035 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3277 0.5907 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3232 -2.2570 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -1.4782 -2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 -1.1929 -2.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 0.3861 -2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 -1.5447 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 1.0308 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -0.6493 -1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 1.1209 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9957 1.1285 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 1.6508 -1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9119 0.8593 -4.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5271 -0.3820 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3209 2.3905 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 1.4008 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2014 -1.0638 1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 -1.5224 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 -1.4687 2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.6460 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7971 -0.3852 2.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 1.0644 2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -0.5458 2.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 2.0397 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 2.2737 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2435 2.1814 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3998 -1.8529 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5073 -0.2910 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4067 -2.0525 -1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2294 -2.2039 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6320 -0.4785 -0.9515 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 1 13 51 1 1 15 52 1 6 18 53 1 0 19 54 1 6 20 55 1 0 21 56 1 1 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