Mol:BMSUM6Ue--07
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
5.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 8 2 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 9 2 0 0 0 0
3 4 1 0 0 0 0
1 7 1 0 0 0 0
3 10 1 6 0 0 0
4 5 1 0 0 0 0
4 11 1 6 0 0 0
5 12 1 1 0 0 0
5 6 1 0 0 0 0
6 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
14 16 2 0 0 0 0
S SKP 7
ID BMSUM6Ue--07
NAME 6-Phospho-2-dehydro-D-gluconic acid
FORMULA C6H11O10P
EXACTMASS 274.0089
AVERAGEMASS 274.1193
SMILES OC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01218
M END
