Mol:BMSUM6Ke--11
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 13 1 6 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 14 1 6 0 0 0
5 6 1 0 0 0 0
6 16 1 0 0 0 0
5 15 1 6 0 0 0
2 12 2 0 0 0 0
7 8 1 0 0 0 0
8 10 1 0 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
S SKP 7
ID BMSUM6Ke--11
NAME L-Sorbose 1-phosphate
FORMULA C6H13O9P
EXACTMASS 260.0297
AVERAGEMASS 260.1357
SMILES OC[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+C02888
M END
