HMDB0012246 RDKit 3D Kynuramine 24 24 0 0 0 0 0 0 0 0999 V2000 4.1784 0.4594 -0.2757 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0183 -0.1478 0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 0.3588 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 -0.2986 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 -1.1779 1.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 0.0280 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 0.9704 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 1.2683 -1.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 0.6016 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -0.3482 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 -0.6306 0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 -1.6154 1.5942 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 0.2533 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 0.4505 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0679 -1.2444 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 -0.0197 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5987 1.4597 -0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 0.2025 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3211 1.5000 -1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 2.0085 -2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4721 0.8396 -0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9731 -0.8681 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 -2.6132 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.4365 2.5996 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 6 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 12 23 1 0 12 24 1 0 M END