Mol:BMAXS5ANj003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
5.4641 3.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.3400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 3.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.3400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.8400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1961 -3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 6 1 0 0 0 0
2 3 1 0 0 0 0
8 9 1 0 0 0 0
3 4 1 0 0 0 0
20 5 1 0 0 0 0
5 19 2 0 0 0 0
9 11 1 0 0 0 0
6 10 1 1 0 0 0
6 7 1 0 0 0 0
4 17 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
2 1 1 0 0 0 0
12 14 1 0 0 0 0
1 15 2 0 0 0 0
7 8 1 0 0 0 0
1 16 1 0 0 0 0
2 14 1 4 0 0 0
4 18 2 0 0 0 0
S SKP 7
ID BMAXS5ANj003
NAME L-Arginino-succinic acid
FORMULA C10H18N4O6
EXACTMASS 290.1226
AVERAGEMASS 290.2732
SMILES OC(=O)CC(NC(=N)NCCC[C@H](N)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03406
M END
</pre>
