HMDB0060012 RDKit 3D Neomenthol-glucuronide 51 52 0 0 0 0 0 0 0 0999 V2000 -3.5364 -1.9728 2.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 -1.9518 1.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 -2.1766 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 -0.8946 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8499 -0.0563 -0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1441 1.4081 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1619 1.8822 -1.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 2.2997 -0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 -0.5081 0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 0.2956 0.2795 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3818 -0.3411 -0.0622 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1860 -0.2790 1.0396 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3776 0.3398 1.0040 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1938 1.8029 1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 2.2568 1.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 2.6840 1.1284 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2441 0.1059 -0.1993 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2756 -0.7581 0.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -0.5287 -1.3172 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0205 -0.4003 -2.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 0.1997 -1.2467 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3860 0.0439 -2.4421 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6439 -0.6006 1.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4765 -2.0763 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6461 -1.0501 3.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 -2.8862 3.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6721 -2.7688 1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 -2.8227 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -2.7633 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4297 -1.1779 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8643 -0.3355 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -0.2326 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 1.6367 0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 2.9284 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7068 1.8867 -2.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0737 1.2815 -1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 2.0111 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 2.5191 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3249 3.3107 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5579 -1.5512 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1987 -1.4498 -0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 0.0338 1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0398 2.6024 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6668 1.0736 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -0.3745 1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2266 -1.5725 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -1.2093 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3306 1.2746 -1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.7660 -2.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4549 0.1403 1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 -0.5125 2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 5 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 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 2 1 0 21 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 11 41 1 6 13 42 1 1 16 43 1 0 17 44 1 6 18 45 1 0 19 46 1 1 20 47 1 0 21 48 1 1 22 49 1 0 23 50 1 0 23 51 1 0 M END