Mol:BMCCPUAPt035
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 1 0 0 0 0 0999 V2000
4.5981 -0.1739 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.7321 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4071 1.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0981 2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0981 2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5103 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4071 1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6859 3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5158 3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
11 10 1 0 0 0 0
10 17 1 6 0 0 0
13 17 1 6 0 0 0
13 12 1 0 0 0 0
12 11 1 0 0 0 0
13 14 1 0 0 0 0
10 1 1 0 0 0 0
12 16 1 1 0 0 0
11 15 1 1 0 0 0
14 18 1 0 0 0 0
S SKP 7
ID BMCCPUAPt035
NAME N-Ribosyl-nicotinamide
FORMULA C11H15N2O5
EXACTMASS 255.098
AVERAGEMASS 255.2472
SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1[n+1](c2)cc(cc2)C(N)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03150
M END
</pre>
