Mol:BMAXS5AMt006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.7500 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 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 6 1 1 0 0 0
2 1 1 0 0 0 0
1 17 2 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
5 18 2 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
1 16 1 0 0 0 0
15 19 2 0 0 0 0
15 14 1 0 0 0 0
6 15 1 0 0 0 0
8 13 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
14 8 1 0 0 0 0
S SKP 7
ID BMAXS5AMt006
NAME N-Phenyl-acetyl-L-glutamine
FORMULA C13H16N2O4
EXACTMASS 264.111
AVERAGEMASS 264.2772
SMILES NC(=O)CC[C@@H](C(O)=O)NC(=O)Cc(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04148
M END
