Mol:BMSUM7K0--01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 1 0 0 0 0 0999 V2000
4.2321 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 0.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.4330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -0.9330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
6 5 1 0 0 0 0
4 11 1 1 0 0 0
5 4 1 0 0 0 0
5 12 1 1 0 0 0
4 3 1 0 0 0 0
3 10 1 6 0 0 0
3 2 1 0 0 0 0
6 7 1 0 0 0 0
2 13 1 0 0 0 0
2 9 1 4 0 0 0
6 13 1 1 0 0 0
1 8 1 0 0 0 0
7 14 1 0 0 0 0
S SKP 7
ID BMSUM7K0--01
NAME D-Sedoheptulose
FORMULA C7H14O7
EXACTMASS 210.0739
AVERAGEMASS 210.1818
SMILES OC[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)C(O)(CO)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02076
M END
</pre>
