Mol:BMAXS4CAi001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
6.4860 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6200 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6200 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7540 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8879 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3520 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4860 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7540 -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 8 2 0 0 0 0
2 3 1 0 0 0 0
4 10 2 0 0 0 0
4 11 1 0 0 0 0
3 4 1 0 0 0 0
1 9 1 0 0 0 0
5 6 1 0 0 0 0
6 12 2 0 0 0 0
6 7 1 0 0 0 0
S SKP 7
ID BMAXS4CAi001
NAME N-Acetyl-L-aspartic acid
FORMULA C6H9NO5
EXACTMASS 175.048
AVERAGEMASS 175.1394
SMILES CC(=O)N[C@@H](CC(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01042
M END
</pre>
