HMDB0010315 RDKit 3D 4-Hydroxyandrostenedione glucuronide 68 72 0 0 0 0 0 0 0 0999 V2000 -4.4502 -1.9645 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7658 -0.5234 -0.0697 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6472 0.2707 -1.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 0.9945 -1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 0.1796 -0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 0.2772 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6581 -0.6372 1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 -1.1234 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0548 -0.0335 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3395 0.3683 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1768 -0.2568 0.8075 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 -0.4365 0.7699 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1868 0.7885 0.7562 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5214 0.5914 1.0581 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1876 1.8684 1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3989 1.9323 1.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4717 3.0434 1.2509 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1431 -0.1078 -0.1437 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5197 -0.1943 -0.0222 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5156 -1.4677 -0.2429 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0104 -2.1550 -1.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 -1.3532 -0.3364 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4894 -2.6225 -0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 1.4541 -0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8755 1.5645 -1.3394 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 2.4494 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 2.1158 -0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 0.6443 -1.0710 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5517 0.2829 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9542 0.2024 0.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 -0.4921 2.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9255 -0.3775 2.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1095 -0.4249 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1532 -0.3905 -0.0364 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3522 -2.1575 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 -2.6390 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 -2.3507 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6617 -0.4743 -2.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5086 0.9736 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0299 1.1065 -2.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4427 1.9632 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3485 -0.8562 -1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1696 1.3280 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 -1.4982 1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 -0.0980 2.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -2.0112 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 -1.4982 1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 -0.9662 1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6394 -0.1041 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 3.0191 1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9160 0.5002 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8259 -1.1030 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7914 -2.0162 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3303 -2.8180 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 -1.0371 -1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 -2.5478 0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 2.4775 -2.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9947 3.4627 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 2.4234 0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4641 2.6999 -1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 0.0457 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 -0.6117 -2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8395 1.1618 -3.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 1.2373 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 -1.5761 2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0875 0.0061 3.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1831 0.6559 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4582 -1.1643 2.5631 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 10 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 6 6 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 30 2 1 0 33 2 1 0 28 5 1 0 28 9 1 0 22 12 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 12 48 1 1 14 49 1 1 17 50 1 0 18 51 1 6 19 52 1 0 20 53 1 1 21 54 1 0 22 55 1 6 23 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 29 61 1 0 29 62 1 0 29 63 1 0 30 64 1 0 31 65 1 0 31 66 1 0 32 67 1 0 32 68 1 0 M END