Mol:BMAXS3AKr006
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
7 6 0 0 1 0 0 0 0 0999 V2000
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 C 0 0 2 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
3.7321 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 C 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
2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0 0 0 0
2 1 1 0 0 0 0
1 6 2 0 0 0 0
2 3 1 6 0 0 0
4 5 1 0 0 0 0
1 7 1 0 0 0 0
S SKP 7
ID BMAXS3AKr006
NAME N-Methyl-L-alanine
FORMULA C4H9NO2
EXACTMASS 103.0633
AVERAGEMASS 103.1198
SMILES CN[C@@H](C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02721
M END
</pre>
