Mol:BMCCPTPTq015
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
17 18 0 0 1 0 0 0 0 0999 V2000
3.7321 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
6 5 1 0 0 0 0
5 10 2 0 0 0 0
9 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
4 10 1 0 0 0 0
4 15 2 0 0 0 0
2 11 1 0 0 0 0
6 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 1 0 0 0
12 16 1 6 0 0 0
13 17 1 0 0 0 0
S SKP 7
ID BMCCPTPTq015
NAME Biopterin
FORMULA C9H11N5O3
EXACTMASS 237.0861
AVERAGEMASS 237.2155
SMILES C[C@@H](O)[C@H](O)C(=C2)N=c(c(=O)1)c(N2)nc(N)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06313
M END
</pre>
