Mol:BMCCPUAD0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 20 0 0 1 0 0 0 0 0999 V2000
3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0718 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 4 1 0 0 0 0
11 9 1 0 0 0 0
9 8 1 0 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
11 12 1 0 0 0 0
11 18 1 6 0 0 0
8 7 2 0 0 0 0
5 6 1 0 0 0 0
3 2 2 0 0 0 0
12 13 1 0 0 0 0
12 16 1 1 0 0 0
18 14 1 0 0 0 0
6 1 2 0 0 0 0
6 10 1 0 0 0 0
13 17 1 1 0 0 0
14 15 1 6 0 0 0
5 7 1 0 0 0 0
2 1 1 0 0 0 0
13 14 1 0 0 0 0
S SKP 7
ID BMCCPUAD0004
NAME 5'-Deoxy-adenosine
FORMULA C10H13N5O3
EXACTMASS 251.1018
AVERAGEMASS 251.2421
SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](C)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05198
M END
