Mol:BMCCPUGU0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 26 0 0 1 0 0 0 0 0999 V2000 3.7321 3.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 1.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 0.6602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -0.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9854 -1.0611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8514 -1.5611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5945 -0.8920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5727 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2422 -1.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6435 -2.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 0.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 -0.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6489 -2.6438 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7354 -3.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7535 -3.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 4 3 1 0 0 0 0 8 7 2 0 0 0 0 15 19 1 6 0 0 0 15 16 1 0 0 0 0 5 6 1 0 0 0 0 16 20 1 0 0 0 0 3 2 2 0 0 0 0 6 1 1 0 0 0 0 6 11 2 0 0 0 0 5 7 1 0 0 0 0 14 15 1 0 0 0 0 2 10 1 0 0 0 0 13 14 1 0 0 0 0 2 1 1 0 0 0 0 12 9 1 0 0 0 0 9 4 1 0 0 0 0 9 8 1 0 0 0 0 18 21 1 0 0 0 0 21 17 1 0 0 0 0 13 17 1 1 0 0 0 14 18 1 1 0 0 0 13 12 1 0 0 0 0 21 23 1 0 0 0 0 12 19 1 6 0 0 0 21 22 2 0 0 0 0 S SKP 7 ID BMCCPUGU0001 NAME 2-Amino-9- [(1R,2R,4R,5R) -7-hydroxy-4- (hydroxymethyl) -7-oxo-3,6,8-trioxa-7λ5-phosphabicyclo [3.3.0]octan-2-yl] -3H-purin-6-one CAS_RN 634-02-6 FORMULA C10H12N5O7P EXACTMASS 345.0474 AVERAGEMASS 345.2055 SMILES OC[C@@H](O1)[C@@H](O4)[C@@H](OP(O)(=O)4)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC(N)2 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06194 M END