Mol:BMSUM6Ne--10
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
4.5981 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 N 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
6.3301 -1.5000 0.0000 O 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
7.1962 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 16 1 6 0 0 0
7 8 1 0 0 0 0
8 10 1 0 0 0 0
8 9 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
1 2 1 0 0 0 0
1 7 1 1 0 0 0
18 19 1 0 0 0 0
5 17 1 1 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
3 12 1 1 0 0 0
19 22 1 0 0 0 0
6 18 1 6 0 0 0
2 11 1 6 0 0 0
S SKP 7
ID BMSUM6Ne--10
NAME Streptidine 6-phosphate
FORMULA C8H19N6O7P
EXACTMASS 342.1052
AVERAGEMASS 342.2464
SMILES NC(=N)N[C@H]([C@@H](O)1)[C@H](O)[C@@H](NC(N)=N)[C@@H]([C@@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01121
M END
</pre>
