Mol:BMSUM6H0--06
From Metabolomics.JP
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 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
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
2 8 1 1 0 0 0
3 9 1 1 0 0 0
6 12 1 6 0 0 0
4 10 1 6 0 0 0
5 11 1 1 0 0 0
S SKP 7
ID BMSUM6H0--06
NAME myo-Inositol
FORMULA C6H12O6
EXACTMASS 180.0633
AVERAGEMASS 180.1558
SMILES O[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+C00137
M END
