Mol:BMSUM6Ae--08
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
3.7321 0.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -0.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 -2.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16 6 1 0 0 0 0
5 15 1 6 0 0 0
1 15 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 12 1 6 0 0 0
3 13 1 6 0 0 0
4 14 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 10 2 0 0 0 0
18 17 1 0 0 0 0
17 16 1 0 0 0 0
17 20 1 0 0 0 0
17 19 2 0 0 0 0
S SKP 7
ID BMSUM6Ae--08
NAME D-Mannose 1,6-bisphosphate
FORMULA C6H14O12P2
EXACTMASS 339.996
AVERAGEMASS 340.1156
SMILES O[C@@H]([C@H](O)1)[C@@H](COP(O)(O)=O)OC([C@@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03693
M END
</pre>
