HMDB0037840 RDKit 3D N-(1-Deoxy-1-fructosyl)leucine 43 43 0 0 0 0 0 0 0 0999 V2000 -4.5016 -0.4446 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7035 0.3949 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 1.7296 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3396 0.6738 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -0.5135 0.7929 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2279 -0.1269 1.2948 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 0.6460 0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 0.0514 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3703 -0.2910 -1.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 -1.0978 -0.2985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 -0.9213 -0.3693 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0317 -1.5004 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 -0.9512 2.0193 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5504 0.5303 -0.5704 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6655 0.7334 -1.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3095 0.9467 -1.3311 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0295 2.2774 -1.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5247 -1.6114 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6881 -2.5806 0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 -1.7546 -1.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -1.5020 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5491 -0.0943 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9994 -0.4765 1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7573 -0.0318 -1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0644 2.3148 -0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3497 2.2615 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5371 1.4652 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8206 1.3869 -0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 1.2799 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0235 -0.9376 1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1885 -0.7730 1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5352 0.9071 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 1.6627 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8889 -0.8179 -2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -1.4529 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1145 -1.4142 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7752 -2.5875 0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 -0.5106 2.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 1.1282 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -0.1220 -1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 0.6068 -2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 2.8650 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1132 -1.3480 -2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 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 5 18 1 0 18 19 2 0 18 20 1 0 16 8 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 1 6 31 1 0 7 32 1 0 7 33 1 0 9 34 1 0 11 35 1 6 12 36 1 0 12 37 1 0 13 38 1 0 14 39 1 1 15 40 1 0 16 41 1 6 17 42 1 0 20 43 1 0 M END