Mol:BMCCPUADr002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 1 0 0 0 0 0999 V2000
3.7321 2.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.4279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 -0.3812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -1.1243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -2.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -1.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0718 -2.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -3.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 -1.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -1.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 1 0 0 0 0
4 5 2 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
6 10 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 19 1 6 0 0 0
12 19 1 6 0 0 0
13 17 1 1 0 0 0
14 18 1 1 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
12 9 1 0 0 0 0
1 11 1 0 0 0 0
S SKP 7
ID BMCCPUADr002
NAME 1-Methyl-adenosine
FORMULA C11H15N5O4
EXACTMASS 281.1124
AVERAGEMASS 281.2681
SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=N)N(C)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02494
M END
</pre>
