HMDB0006591 RDKit 3D Lactosamine 46 46 0 0 0 0 0 0 0 0999 V2000 3.6226 0.1617 1.2359 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -1.0771 0.5210 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6559 -2.1771 1.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -1.9227 2.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 -1.2144 0.1472 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2080 -1.2203 1.3609 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -0.1282 -0.7623 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0673 -0.4910 -0.9611 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 0.2585 -0.2702 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4064 -0.6056 0.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 -0.2604 1.3163 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1235 -1.3348 2.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2328 -1.7469 3.1514 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 0.3465 0.4240 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1051 -0.5842 -0.4811 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0366 1.4939 -0.3542 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9444 1.9958 -1.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 0.9982 -1.1299 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2316 2.1781 -1.6346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 0.1408 -1.9459 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4876 0.5492 -1.4852 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 1.2844 -2.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 1.5575 -3.8377 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5889 0.5168 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4354 0.0902 2.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 -1.2817 -0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5505 -3.2252 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7721 -2.2113 -0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 -1.9643 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 0.7670 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3705 1.0631 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2488 0.5724 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 -2.1799 1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9907 -0.8690 2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 -2.4030 3.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4574 0.7278 1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9377 -0.1686 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 2.3157 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0447 1.3106 -1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 0.4412 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3684 2.2828 -2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4456 -0.7522 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8995 1.0380 -2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 1.0746 -3.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 2.2342 -2.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 2.4189 -4.2237 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 2 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 7 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 18 9 1 0 1 24 1 0 1 25 1 0 2 26 1 6 3 27 1 0 5 28 1 6 6 29 1 0 7 30 1 1 9 31 1 1 11 32 1 1 12 33 1 0 12 34 1 0 13 35 1 0 14 36 1 1 15 37 1 0 16 38 1 1 17 39 1 0 18 40 1 6 19 41 1 0 20 42 1 6 21 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 M END