Mol:BMSUM6Nf--02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
4.7321 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7321 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6962 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 15 1 6 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 15 1 0 0 0 0
5 6 1 0 0 0 0
1 7 1 4 0 0 0
3 13 1 6 0 0 0
4 14 1 1 0 0 0
2 8 1 1 0 0 0
6 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
17 20 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
9 12 2 0 0 0 0
S SKP 7
ID BMSUM6Nf--02
NAME N2,6-Disulfo-D-glucosamine
FORMULA C6H13NO11S2
EXACTMASS 338.993
AVERAGEMASS 339.2995
SMILES OC(O1)[C@@H]([C@@H](O)[C@H](O)[C@H]1COS(O)(=O)=O)NS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04567
M END
</pre>
