Mol:BMAAB4AK0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 7 0 0 1 0 0 0 0 0999 V2000
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
7 1 2 0 0 0 0
1 2 1 0 0 0 0
2 6 1 6 0 0 0
3 5 1 0 0 0 0
1 8 1 0 0 0 0
S SKP 7
ID BMAAB4AK0001
NAME L-Valine
FORMULA C5H11NO2
EXACTMASS 117.0789
AVERAGEMASS 117.1463
SMILES CC(C)[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00183
M END
