Mol:BMAXS4SFi001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 2 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
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 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
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 1 0 0 0
2 1 1 0 0 0 0
1 11 2 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
6 7 1 0 0 0 0
4 6 1 0 0 0 0
5 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
1 12 1 0 0 0 0
S SKP 7
ID BMAXS4SFi001
NAME N-Acetyl-L-methionine
FORMULA C7H13NO3S
EXACTMASS 191.0616
AVERAGEMASS 191.249
SMILES CC(=O)N[C@@H](CCSC)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02712
M END
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