HMDB0240296 RDKit 3D Tryptophan 2-C-mannoside 48 50 0 0 0 0 0 0 0 0999 V2000 -3.5994 1.2945 -0.6976 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4847 1.5883 0.2380 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0219 0.3865 0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 -0.7820 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 -1.0921 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0728 -0.3326 0.1669 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0034 0.9956 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1777 1.6558 -0.2671 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8606 1.3382 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 2.1872 -1.7028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1883 1.3976 0.8908 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5832 2.5980 1.4432 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 0.5505 1.8960 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0315 0.3659 3.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -0.7871 1.1547 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3048 -1.2429 0.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1602 -2.3183 -0.6331 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 -2.7363 -0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -3.8666 -1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3153 -4.0877 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -3.1032 -0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9726 -0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2774 -1.8006 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 2.5257 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6062 2.6220 -1.6603 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6366 3.2665 0.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4801 1.0911 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 2.0977 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 2.2648 1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 0.7709 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8919 0.0750 1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 -0.6165 -0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 2.7431 -0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 1.5714 -2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2421 0.3286 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 1.6754 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0065 0.7664 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1955 3.0880 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 1.0265 2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3741 0.6053 3.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 -1.5312 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7212 -1.9600 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 -2.8806 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 -4.5970 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7834 -4.9507 -1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 -3.2529 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -1.2194 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 4.2536 0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 5 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 2 24 1 0 24 25 2 0 24 26 1 0 23 4 1 0 15 6 1 0 23 18 1 0 1 27 1 0 1 28 1 0 2 29 1 1 3 30 1 0 3 31 1 0 6 32 1 6 8 33 1 6 9 34 1 0 9 35 1 0 10 36 1 0 11 37 1 6 12 38 1 0 13 39 1 1 14 40 1 0 15 41 1 1 16 42 1 0 17 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 26 48 1 0 M END