Mol:BMSUM6Hr--02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 13 13 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 1 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 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 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 6.3301 -0.5000 0.0000 C 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 3 4 1 0 0 0 0 3 2 1 0 0 0 0 2 1 1 0 0 0 0 1 6 1 0 0 0 0 6 5 1 0 0 0 0 5 4 1 0 0 0 0 3 9 1 1 0 0 0 2 8 1 1 0 0 0 1 7 1 1 0 0 0 5 11 1 1 0 0 0 4 10 1 6 0 0 0 6 13 1 6 0 0 0 11 12 1 0 0 0 0 S SKP 7 ID BMSUM6Hr--02 NAME 1D-5-O-Methyl-myo-inositol FORMULA C7H14O6 EXACTMASS 194.079 AVERAGEMASS 194.1824 SMILES CO[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+C03365 M END