Mol:BMSUM6Ni--03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
4.5981 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 14 1 0 0 0 0
5 14 1 6 0 0 0
5 6 1 0 0 0 0
6 15 1 0 0 0 0
4 13 1 1 0 0 0
3 12 1 6 0 0 0
1 10 1 4 0 0 0
2 7 1 1 0 0 0
7 8 1 0 0 0 0
8 11 2 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMSUM6Ni--03
NAME D-Glucosaminide
FORMULA C8H15NO6
EXACTMASS 221.0899
AVERAGEMASS 221.2078
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06023
M END
</pre>
