Mol:BMAAB5AK0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
9 8 0 0 1 0 0 0 0 0999 V2000
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
1 9 2 0 0 0 0
3 4 1 0 0 0 0
1 8 1 0 0 0 0
4 5 1 0 0 0 0
1 2 1 0 0 0 0
2 6 1 6 0 0 0
3 7 1 1 0 0 0
S SKP 7
ID BMAAB5AK0002
NAME L-Isoleucine
FORMULA C6H13NO2
EXACTMASS 131.0946
AVERAGEMASS 131.1729
SMILES CC[C@H](C)[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00407
M END
