HMDB0037839 RDKit 3D N-(1-Deoxy-1-fructosyl)histidine 41 42 0 0 0 0 0 0 0 0999 V2000 1.5766 -2.2014 -2.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2918 -1.5251 -1.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6606 -1.8030 -1.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 -0.5839 -0.4706 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4817 -0.3123 0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 0.3841 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9922 -0.0342 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.0066 -0.2394 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 2.1013 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 1.7566 0.1314 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 -0.6775 -0.4386 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -0.6803 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7808 -0.2815 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3054 -0.2540 2.0937 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 0.9916 0.2486 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1207 1.0830 -0.4088 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9233 2.2786 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1403 2.1682 1.3853 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 -0.1974 -0.1631 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7342 -0.5521 -1.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6384 -1.1431 -0.0861 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0224 -2.3302 0.5288 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -2.6849 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 0.4540 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -1.2599 1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 0.3513 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3758 -1.0496 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7991 0.9658 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3549 3.0899 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0896 -1.4731 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3307 -1.7571 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 -0.0990 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 0.5089 2.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9698 1.1089 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8807 2.3034 -0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 3.2193 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6205 2.9948 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3024 -0.1499 0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -1.5046 -1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2094 -1.2259 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 -2.9860 0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 4 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 10 6 1 0 21 13 1 0 3 23 1 0 4 24 1 6 5 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 14 33 1 0 16 34 1 6 17 35 1 0 17 36 1 0 18 37 1 0 19 38 1 1 20 39 1 0 21 40 1 6 22 41 1 0 M END