Mol:BMAXS6ANk004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 18 0 0 1 0 0 0 0 0999 V2000
8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 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
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 O 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
4.5981 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 7 1 6 0 0 0
2 1 1 0 0 0 0
1 14 2 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
5 6 1 0 0 0 0
4 5 1 0 0 0 0
1 15 1 0 0 0 0
6 8 1 0 0 0 0
9 8 1 0 0 0 0
9 13 1 0 0 0 0
9 10 1 6 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
S SKP 7
ID BMAXS6ANk004
NAME L-Saccharopine
FORMULA C11H20N2O6
EXACTMASS 276.1321
AVERAGEMASS 276.2863
SMILES OC(=O)CC[C@H](NCCCC[C@H](N)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00449
M END
</pre>
