Mol:BMSUM6Ke--07
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
3.2601 0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -0.3415 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.9511 -1.2925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7601 -1.8803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5691 -1.2925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5691 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1261 1.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 -0.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 -0.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0691 -2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1261 2.1585 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.1261 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1261 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1261 3.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 -2.1585 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 -3.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 -1.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0691 -2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
2 11 1 0 0 0 0
5 11 1 6 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
5 6 1 0 0 0 0
4 10 1 6 0 0 0
3 9 1 6 0 0 0
6 12 1 0 0 0 0
12 17 1 0 0 0 0
17 20 1 0 0 0 0
17 19 1 0 0 0 0
17 18 2 0 0 0 0
2 8 1 4 0 0 0
2 1 1 0 0 0 0
1 7 1 0 0 0 0
7 13 1 0 0 0 0
13 16 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
S SKP 7
ID BMSUM6Ke--07
NAME D-Tagatose 1,6-bisphosphate
FORMULA C6H14O12P2
EXACTMASS 339.996
AVERAGEMASS 340.1156
SMILES O[C@@H]([C@@H](COP(O)(O)=O)1)[C@H](O)C(O)(O1)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03785
M END
</pre>
