Mol:BMSUM7Ke--02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 1 0 0 0 0 0999 V2000
5.4641 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -0.6830 0.0000 C 0 0 1 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
2.8660 -2.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -3.1830 0.0000 C 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
6.3301 2.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 3.6830 0.0000 O 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
5.4641 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1830 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
2.0000 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 13 2 0 0 0 0
6 7 1 0 0 0 0
3 4 1 0 0 0 0
6 17 1 1 0 0 0
3 14 1 1 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
1 8 1 0 0 0 0
4 15 1 1 0 0 0
7 18 1 0 0 0 0
4 5 1 0 0 0 0
8 9 1 0 0 0 0
5 16 1 6 0 0 0
9 10 1 0 0 0 0
9 12 2 0 0 0 0
5 6 1 0 0 0 0
9 11 1 0 0 0 0
S SKP 7
ID BMSUM7Ke--02
NAME D-Sedoheptulose 1-phosphate
FORMULA C7H15O10P
EXACTMASS 290.0402
AVERAGEMASS 290.1617
SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06222
M END
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