Mol:BMAAB5AK0002
From Metabolomics.JP
<pre> 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
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