Mol:BMAXTP--0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 10 1 6 0 0 0
1 16 2 0 0 0 0
8 7 1 0 0 0 0
3 4 1 0 0 0 0
8 9 1 0 0 0 0
1 15 1 0 0 0 0
9 11 1 0 0 0 0
4 5 1 0 0 0 0
7 14 1 0 0 0 0
1 2 1 0 0 0 0
14 13 1 0 0 0 0
2 6 1 1 0 0 0
7 18 2 0 0 0 0
5 10 1 0 0 0 0
13 12 1 0 0 0 0
2 3 1 0 0 0 0
12 20 2 0 0 0 0
5 17 2 0 0 0 0
12 19 1 0 0 0 0
S SKP 7
ID BMAXTP--0003
NAME Glutathione
FORMULA C10H17N3O6S
EXACTMASS 307.0838
AVERAGEMASS 307.3246
SMILES OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00051
M END
</pre>
