HMDB0059718 RDKit 3D Glucopyranosylmoranoline 45 46 0 0 0 0 0 0 0 0999 V2000 -2.4391 -2.1156 -1.7766 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1273 -2.2829 -0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 -1.1312 0.3722 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4554 -1.0683 0.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.1293 0.3858 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4239 0.1008 0.9801 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4523 0.1576 0.0819 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4171 -1.0068 0.1839 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7113 -2.3294 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 -3.3214 0.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 -0.9520 -0.8918 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 0.2779 -1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 1.4833 -1.0186 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8769 2.6463 -1.1048 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 1.4074 0.2625 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5735 2.5333 0.4695 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5461 1.3293 0.9493 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1081 1.6138 2.2296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0419 1.2006 0.9546 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6980 2.3736 0.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3921 0.1561 -0.1131 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7615 0.0501 -0.1379 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 -2.4704 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -3.2260 -0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 -2.2718 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3223 -1.3864 1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 0.1938 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0747 0.2163 -0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 -0.9301 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 -2.4110 1.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 -2.4698 -0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1673 -3.1995 1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0294 -1.3625 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 0.2761 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8653 0.3789 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4418 1.3550 -1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 3.3125 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0594 1.1976 1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5648 2.7113 1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 2.1957 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7319 2.5189 2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3658 0.7536 1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 2.9877 1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 0.4654 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1417 -0.0870 -1.0324 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 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 5 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 3 1 0 15 7 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 1 5 27 1 6 7 28 1 6 8 29 1 1 9 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 6 14 37 1 0 15 38 1 1 16 39 1 0 17 40 1 6 18 41 1 0 19 42 1 1 20 43 1 0 21 44 1 6 22 45 1 0 M END