HMDB0252498 RDKit 3D Fructosylvaline 40 39 0 0 0 0 0 0 0 0999 V2000 -3.8364 1.9212 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 0.5203 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4075 0.5320 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 -0.3647 0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6649 0.1278 -0.2575 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -0.5763 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6624 -0.0006 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 0.8969 -1.4108 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 -0.5280 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 -1.5693 0.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 0.5991 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 1.6346 -0.8569 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 0.1165 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0481 1.1393 0.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 -0.3029 -0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3047 -0.7291 -0.4927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 -1.6955 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -2.2247 -1.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2919 -2.4094 0.3581 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 2.3046 1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5631 2.5793 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0415 2.0360 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8726 0.0762 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4781 0.2432 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7287 -0.1380 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 1.5412 -1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6289 -0.4765 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7547 -0.0009 -1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2871 -0.5008 1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5478 -1.6902 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4624 -0.9469 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6367 -1.2108 1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4373 0.9482 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 2.4142 -0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 -0.7607 1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 0.8189 1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4928 -1.0844 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 0.6075 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 -1.0818 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -2.7657 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 4 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 19 40 1 0 M END