Mol:BMAAS4SFp004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 1 0 0 0 0 0999 V2000
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 6 0 0 0
2 1 1 0 0 0 0
1 9 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
1 10 1 0 0 0 0
6 8 2 0 0 0 0
S SKP 7
ID BMAAS4SFp004
NAME L-Methionine S-oxide
FORMULA C5H11NO3S
EXACTMASS 165.0459
AVERAGEMASS 165.2117
SMILES N[C@@H](CCS(C)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02989
M END
</pre>
