Mol:BMSUM6Ne--08
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 19 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
8.0622 -1.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15 6 1 0 0 0 0
5 14 1 6 0 0 0
14 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 10 1 4 0 0 0
2 7 1 1 0 0 0
3 12 1 6 0 0 0
4 13 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
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
S SKP 7
ID BMSUM6Ne--08
NAME N-Acetyl-D-glucosamine 6-phosphate
FORMULA C8H16NO9P
EXACTMASS 301.0562
AVERAGEMASS 301.1877
SMILES CC(=O)N[C@@H](C(O)1)[C@@H](O)[C@H](O)[C@H](O1)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00357
M END
</pre>
