HMDB0253017 RDKit 3D Hippuryl-L-lysine 43 43 0 0 0 0 0 0 0 0999 V2000 4.5468 -1.8424 2.0281 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 -0.7511 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.5406 1.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 1.8022 1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 2.1162 0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 1.2979 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 1.7616 -0.9928 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4544 0.9208 -0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -0.2595 -0.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 1.4759 -1.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 0.5359 -1.3922 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 -0.0685 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6233 0.2245 0.9132 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3128 -1.0258 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0288 -1.4109 -1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -2.3349 -1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4066 -2.8757 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6999 -2.4996 1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6814 -1.5942 1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 1.3325 -1.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 1.7374 -2.8411 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2567 0.9443 -1.6629 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5018 -1.5963 2.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7032 -2.6805 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -1.0991 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9419 -0.7666 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 0.6541 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 0.4397 2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0699 2.6919 1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6329 1.9391 0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7438 2.0866 1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5104 3.2191 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8585 0.2595 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 2.7488 -1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 1.8005 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 2.4257 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3184 0.2867 -2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8368 -1.0371 -2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6504 -2.6505 -1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2165 -3.5893 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9729 -2.9328 2.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1391 -1.3114 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0087 1.4874 -2.0882 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 21 2 0 20 22 1 0 19 14 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 15 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 22 43 1 0 M END