Mol:BMSUM6Hr--03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
3.7321 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 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 10 1 6 0 0 0
2 9 1 6 0 0 0
1 7 1 6 0 0 0
4 11 1 1 0 0 0
6 13 1 1 0 0 0
5 12 1 6 0 0 0
7 8 1 0 0 0 0
S SKP 7
ID BMSUM6Hr--03
NAME 1L-1-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+C03660
M END
</pre>
