Mol:BMAXDP--i001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
9.7942 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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 0 0 0 0 0 0 0 0 0 0
8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6602 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1961 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.0000 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
6 11 1 6 0 0 0
6 5 1 0 0 0 0
5 19 2 0 0 0 0
6 7 1 0 0 0 0
8 7 1 0 0 0 0
9 10 1 0 0 0 0
8 9 1 0 0 0 0
10 12 1 0 0 0 0
5 4 1 0 0 0 0
11 15 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
15 16 1 0 0 0 0
13 21 2 0 0 0 0
15 20 2 0 0 0 0
2 4 1 0 0 0 0
2 1 1 0 0 0 0
1 18 2 0 0 0 0
2 3 1 1 0 0 0
1 17 1 0 0 0 0
S SKP 7
ID BMAXDP--i001
NAME (Ac)2-L-Lys-D-Ala
FORMULA C13H23N3O5
EXACTMASS 301.1637
AVERAGEMASS 301.3389
SMILES CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@H](C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02487
M END
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