Mol:BMMCHC--e010
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
4.0137 2.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6310 1.2413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7071 0.8586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3244 -0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2483 2.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0051 2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5549 0.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7071 -0.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6310 -1.3718 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.2483 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0137 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5549 -0.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9375 -0.0653 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8614 -0.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8614 0.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 6 0 0 0
2 7 1 1 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
3 8 1 1 0 0 0
3 4 1 0 0 0 0
4 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
13 14 1 0 0 0 0
14 7 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 7
ID BMMCHC--e010
NAME 2-C-methyl-D-erythritol 2,4-cyclodiphosphate
FORMULA C5H12O9P2
EXACTMASS 277.9956
AVERAGEMASS 278.0909
SMILES OC[C@](C)([C@H](O)1)OP(O)(=O)OP(O)(=O)OC1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11453
M END
</pre>
