HMDB0002219 RDKit 3D Glycitin 54 57 0 0 0 0 0 0 0 0999 V2000 -0.3106 -3.4850 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 -2.2325 -0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 -1.0879 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -1.1903 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -0.0757 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3783 -0.1649 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 -1.2922 -0.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 0.9738 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6003 0.9114 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 -0.0623 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 -0.1521 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 0.7328 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7278 0.5771 -0.3601 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6979 1.7012 -1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3274 1.7998 -1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 2.1856 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 2.2259 0.0947 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4183 1.1566 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0634 1.2588 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 0.1297 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 0.3680 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2116 -0.4449 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9049 -0.3940 1.2834 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1454 0.1374 1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1266 1.6597 1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3984 2.1816 1.4819 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 -0.3191 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8726 -1.3521 0.7109 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 -0.8786 -0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1395 -0.8308 -2.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0575 -0.1202 -1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 -0.7061 -2.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 -3.7245 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 -4.2755 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3778 -3.5029 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 -2.1582 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6647 -0.7602 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 -0.9287 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1074 -0.0353 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2926 2.3807 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 2.5527 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0978 3.0811 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3819 2.2377 0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9209 -1.5067 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6063 -0.2147 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6873 1.9215 2.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4341 2.0951 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5528 2.8992 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7467 0.5208 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2442 -1.9597 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0885 -1.9466 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1052 -0.7915 -1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 0.9419 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7998 -0.0372 -2.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 8 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 20 3 1 0 31 22 1 0 18 5 2 0 15 9 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 10 37 1 0 11 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 19 43 1 0 22 44 1 0 24 45 1 0 25 46 1 0 25 47 1 0 26 48 1 0 27 49 1 0 28 50 1 0 29 51 1 0 30 52 1 0 31 53 1 0 32 54 1 0 M END