Mol:BMAXS5AMl004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
5.4641 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 2 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
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 N 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
6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 6 1 6 0 0 0
2 3 1 0 0 0 0
1 11 2 0 0 0 0
1 12 1 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
S SKP 7
ID BMAXS5AMl004
NAME L-Citrulline
FORMULA C6H13N3O3
EXACTMASS 175.0956
AVERAGEMASS 175.1858
SMILES NC(=O)NCCC[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00327
M END
</pre>
