Mol:BMSUM6N0--01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 12 12 0 0 1 0 0 0 0 0999 V2000 3.7321 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 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 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 1 0 0 0 3 9 1 1 0 0 0 5 11 1 1 0 0 0 2 8 1 6 0 0 0 4 10 1 6 0 0 0 6 12 1 6 0 0 0 S SKP 7 ID BMSUM6N0--01 NAME 1-Amino-1-deoxy-scyllo-inositol FORMULA C6H13NO5 EXACTMASS 179.0793 AVERAGEMASS 179.1711 SMILES N[C@H]([C@@H](O)1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01214 M END
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