Mol:BMSUM7Ke--03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 1 0 0 0 0 0999 V2000
6.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7321 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 8 1 0 0 0 0
2 9 2 0 0 0 0
2 3 1 0 0 0 0
3 10 1 1 0 0 0
3 4 1 0 0 0 0
4 11 1 1 0 0 0
4 5 1 0 0 0 0
5 12 1 6 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 14 1 0 0 0 0
14 15 1 0 0 0 0
15 18 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
6 13 1 1 0 0 0
S SKP 7
ID BMSUM7Ke--03
NAME D-Sedoheptulose 7-phosphate
FORMULA C7H15O10P
EXACTMASS 290.0402
AVERAGEMASS 290.1617
SMILES OCC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05382
M END
