HMDB0000489 RDKit 3D Aspartylglycosamine 44 44 0 0 0 0 0 0 0 0999 V2000 -0.9245 -2.0528 -3.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4518 -1.7239 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1228 -2.6035 -1.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -0.4492 -1.5899 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -0.0861 -0.3037 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6180 0.2078 0.7031 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4430 -0.7418 0.6852 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 -0.3220 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9938 0.8886 0.1757 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 -1.2670 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 -0.5593 0.0490 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1664 0.0949 -1.2289 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3439 -1.4879 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5527 -2.1721 1.1483 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2092 -1.6215 -0.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 0.3210 1.9658 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9316 1.5044 1.9730 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3698 1.9541 3.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 2.1718 4.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 1.3050 1.0864 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9881 2.3860 1.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5975 1.1589 -0.3323 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5824 1.0984 -1.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4978 -2.9104 -3.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 -1.2258 -4.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 -2.2424 -3.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6707 0.2385 -2.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 -0.9655 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 1.2390 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 -1.7472 0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0463 -1.7109 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 -2.1272 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 0.2374 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1313 1.1259 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -0.3139 -1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 -1.6733 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2935 2.2685 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1597 1.2892 3.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8785 2.9504 3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 2.4819 5.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6539 0.3683 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8969 2.1122 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9111 2.0181 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3485 0.5836 -0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 6 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 5 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 1 6 29 1 6 7 30 1 0 10 31 1 0 10 32 1 0 11 33 1 1 12 34 1 0 12 35 1 0 15 36 1 0 17 37 1 6 18 38 1 0 18 39 1 0 19 40 1 0 20 41 1 1 21 42 1 0 22 43 1 6 23 44 1 0 M END