Mol:BMSUM6Ne--07
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
4.5981 0.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19 6 1 0 0 0 0
5 18 1 6 0 0 0
1 18 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 16 1 6 0 0 0
4 17 1 1 0 0 0
8 9 1 0 0 0 0
8 15 2 0 0 0 0
7 8 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 14 2 0 0 0 0
11 13 1 0 0 0 0
S SKP 7
ID BMSUM6Ne--07
NAME N-Acetyl-D-glucosamine 1-phosphate
FORMULA C8H16NO9P
EXACTMASS 301.0562
AVERAGEMASS 301.1877
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C1OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04256
M END
</pre>
