Mol:BMAXTP--q009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 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
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 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 10 1 0 0 0 0
5 18 2 0 0 0 0
8 10 1 1 0 0 0
8 7 1 0 0 0 0
8 9 1 0 0 0 0
9 11 1 0 0 0 0
7 19 2 0 0 0 0
7 14 1 0 0 0 0
14 13 1 0 0 0 0
2 6 1 6 0 0 0
1 16 1 0 0 0 0
1 17 2 0 0 0 0
2 1 1 0 0 0 0
12 21 1 0 0 0 0
12 20 2 0 0 0 0
13 12 1 0 0 0 0
11 15 1 0 0 0 0
15 22 1 0 0 0 0
S SKP 6
NAME S- (Hydroxymethyl) glutathione
ID BMAXTP--q009
FORMULA C11H19N3O7S
EXACTMASS 337.094370667
AVERAGEMASS 337.35058000000004
SMILES OCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
M END
