HMDB0037847 RDKit 3D N-(1-Deoxy-1-fructosyl)tryptophan 51 53 0 0 0 0 0 0 0 0999 V2000 1.0463 -1.9785 2.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 -1.3556 2.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 -1.7086 3.2493 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -0.2720 1.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6245 -0.6542 0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0252 0.4209 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2442 -0.0356 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 -0.5423 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 -0.8242 -2.6062 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3746 -0.5031 -1.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7435 -0.6069 -1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2123 -0.2054 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3377 0.2966 0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9941 0.3919 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4988 -0.0070 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 0.0271 0.3735 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8405 0.5350 0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8944 0.8327 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 1.7745 -0.9322 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 -0.2507 -0.6806 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 0.1263 -1.2279 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7653 -0.8252 -0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 -2.0969 -1.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 1.4798 -0.6157 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5122 2.4458 -1.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1463 1.4185 0.6451 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6860 0.4662 1.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 -2.6517 3.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 0.6365 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -1.5969 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4465 -0.7789 1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 1.3373 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 0.5938 -1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5755 -0.6922 -3.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0411 -1.2228 -3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4389 -0.9915 -1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2689 -0.2587 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6993 0.6134 1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2677 0.7852 1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 -0.8087 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1899 -0.0483 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5738 1.5464 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5263 2.1164 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 0.2241 -2.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6835 -0.4472 -1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 -0.8883 0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 -2.7835 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0776 1.5767 -0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6364 3.3731 -1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9743 2.3934 1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1753 -0.3767 1.5385 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 15 7 1 0 26 18 1 0 15 10 1 0 3 28 1 0 4 29 1 1 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 8 34 1 0 9 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 19 43 1 0 21 44 1 6 22 45 1 0 22 46 1 0 23 47 1 0 24 48 1 1 25 49 1 0 26 50 1 1 27 51 1 0 M END