Mol:BMSUM6Ae--04
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
3.7321 1.0000 0.0000 C 0 0 3 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 2 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
5.4641 -1.0000 0.0000 C 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
2.0000 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
4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 6 1 0 0 0 0
5 11 1 6 0 0 0
11 1 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 4 0 0 0
2 8 1 1 0 0 0
3 9 1 6 0 0 0
4 10 1 6 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 16 2 0 0 0 0
13 15 1 0 0 0 0
S SKP 7
ID BMSUM6Ae--04
NAME D-Galactose 6-phosphate
FORMULA C6H13O9P
EXACTMASS 260.0297
AVERAGEMASS 260.1357
SMILES OC(O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01113
M END
</pre>
